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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_61/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_61.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 = 61 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 61 6100
main_MD> Size of nv and nvoiz: 61 6100
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 = 61
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> 0.17667079584509968 3.7618792981877702E-002 -0.10761479907462769 initial drift of cluster / NP1 for coalescence
init> 0.31522356074057101 0.33395166930578102 0.26598793803345844 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7393232834142410E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.38901 -4.30923 -0.37956
force_rgl> df(natom) 1.64750 1.29621 0.08715
preparo> THERMALIZATION PROCESS AT 1214.4712840172162
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -132.79481704033583 9.1735200470331328 -141.96833708736895 6.5304207028168146E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1188.0000000000000
main_MD> interactions number 1 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.89502 -1.44124 -2.67655
force_rgl> df(natom) 2.60135 3.07034 1.24976
5.0000 -141.71526 -130.88114 10.83412 3.06957 -132.38391 1236.75434
10.0000 -143.43074 -133.70973 9.72101 2.99389 -133.55668 1189.89985
15.0000 -142.92419 -133.55054 9.37364 2.98885 -133.63469 1207.04324
20.0000 -141.05493 -130.91121 10.14372 3.12367 -131.54557 1242.56212
25.0000 -142.70139 -132.20335 10.49804 3.12688 -131.49580 1261.65899
30.0000 -142.30824 -133.81201 8.49624 3.05889 -132.54939 1198.75972
35.0000 -144.46836 -135.05261 9.41574 2.96124 -134.06259 1167.57805
40.0000 -143.20890 -134.13586 9.07305 2.87992 -135.32270 1100.99824
45.0000 -140.10086 -131.29869 8.80217 3.02160 -133.12718 1175.14271
50.0000 -142.06975 -133.18869 8.88106 3.06717 -132.42106 1203.53639
55.0000 -140.77287 -132.44580 8.32707 3.10437 -131.84460 1270.12475
60.0000 -138.08169 -129.31905 8.76265 3.15332 -131.08613 1274.08712
65.0000 -142.28373 -132.66082 9.62291 3.19140 -130.49603 1308.56735
70.0000 -143.47063 -133.73575 9.73488 2.96377 -134.02335 1147.50957
75.0000 -144.03489 -135.22892 8.80597 2.99518 -133.53672 1191.03760
80.0000 -142.65549 -134.00314 8.65235 2.94739 -134.27717 1156.84422
85.0000 -144.44165 -136.24416 8.19749 2.88250 -135.28278 1099.37853
90.0000 -143.07319 -133.65473 9.41846 2.93345 -134.49328 1147.87158
95.0000 -142.01466 -131.74135 10.27331 2.96769 -133.96272 1130.18479
100.0000 -142.22455 -132.79880 9.42576 3.11443 -131.68873 1231.98197
105.0000 -142.78531 -131.20670 11.57861 3.03936 -132.85205 1203.78476
110.0000 -143.01971 -134.45011 8.56960 3.06532 -132.44970 1219.62270
115.0000 -144.19406 -134.91594 9.27812 2.94306 -134.34434 1152.62918
120.0000 -142.08235 -132.50563 9.57672 2.98379 -133.71313 1176.24481
125.0000 -141.79672 -132.36946 9.42725 3.08582 -132.13209 1239.71918
130.0000 -143.48345 -133.64712 9.83633 3.06704 -132.42305 1219.01923
135.0000 -142.25220 -133.86110 8.39110 3.02109 -133.13513 1171.97178
140.0000 -143.34360 -134.46296 8.88064 2.97454 -133.85652 1164.97363
145.0000 -141.52069 -132.67374 8.84695 3.01816 -133.18056 1169.49581
150.0000 -142.83556 -133.83395 9.00161 2.99699 -133.50860 1155.63081
155.0000 -143.57396 -135.13513 8.43883 2.95784 -134.11522 1140.42539
160.0000 -140.75571 -131.63578 9.11993 2.99282 -133.57324 1157.36113
165.0000 -143.88666 -133.79912 10.08755 3.06372 -132.47461 1168.92686
170.0000 -140.80448 -131.68170 9.12279 3.04127 -132.82240 1194.45767
175.0000 -139.29462 -128.70804 10.58657 3.16726 -130.87017 1311.87074
180.0000 -142.45836 -132.15057 10.30779 3.23298 -129.85175 1332.21632
185.0000 -141.49014 -130.46981 11.02032 3.08477 -132.14833 1225.39123
190.0000 -141.66141 -131.38712 10.27429 3.13509 -131.36858 1255.38493
195.0000 -143.66419 -132.38779 11.27640 3.06808 -132.40705 1222.29337
200.0000 -144.54794 -135.36830 9.17964 2.97412 -133.86305 1167.16306
205.0000 -142.65746 -134.14652 8.51094 2.90767 -134.89270 1073.10143
210.0000 -142.27987 -132.97151 9.30837 3.02402 -133.08970 1191.17116
215.0000 -143.15338 -134.11487 9.03851 2.97649 -133.82628 1143.23040
220.0000 -143.46811 -133.88666 9.58145 3.01610 -133.21249 1177.82797
225.0000 -143.86103 -135.82978 8.03125 2.91604 -134.76298 1126.72446
230.0000 -142.75910 -134.78410 7.97500 2.87763 -135.35824 1099.32621
235.0000 -142.63733 -132.77702 9.86031 3.00903 -133.32200 1215.84285
240.0000 -142.86921 -131.85190 11.01731 3.09954 -131.91955 1221.05783
245.0000 -142.12229 -131.90749 10.21480 3.12068 -131.59193 1260.51850
250.0000 -142.75643 -132.73324 10.02319 3.04712 -132.73186 1209.81382
FREEZING PROCESS: loop number 2 T-loop= 1163.0000000000000
main_MD> interactions number 2 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.65797 0.26309 6.66585
force_rgl> df(natom) 1.96099 1.29024 -3.73790
255.0000 -140.97092 -131.30816 9.66276 3.04152 -132.81852 1179.61454
260.0000 -143.10695 -133.58700 9.51994 3.05490 -132.61131 1223.18964
265.0000 -143.87691 -135.92293 7.95399 2.89564 -135.07919 1106.66735
270.0000 -142.32673 -133.99663 8.33010 2.90387 -134.95164 1096.26318
275.0000 -144.27747 -135.43747 8.84001 2.97476 -133.85314 1157.31566
280.0000 -142.26834 -134.98220 7.28614 2.90639 -134.91256 1107.90883
285.0000 -144.11066 -135.21778 8.89288 2.93633 -134.44859 1113.14677
290.0000 -143.46187 -135.07806 8.38381 2.85699 -135.67808 1111.19413
295.0000 -144.76005 -135.88960 8.87045 2.85148 -135.76339 1060.58404
300.0000 -143.08156 -134.24806 8.83350 2.91636 -134.75802 1097.84508
305.0000 -142.87133 -134.80205 8.06928 2.93539 -134.46313 1117.79953
310.0000 -141.89411 -133.89038 8.00374 2.98159 -133.74727 1178.90566
315.0000 -143.77816 -135.32794 8.45021 2.85789 -135.66408 1053.86590
320.0000 -142.36954 -132.81891 9.55063 3.01723 -133.19504 1172.83889
325.0000 -145.01044 -136.35747 8.65297 2.97624 -133.83021 1144.45458
330.0000 -142.34428 -133.80674 8.53754 2.86300 -135.58490 1062.31821
335.0000 -141.65872 -133.97379 7.68493 2.97898 -133.78765 1187.39231
340.0000 -143.13484 -133.02061 10.11423 3.01633 -133.20897 1209.90625
345.0000 -143.54954 -134.38241 9.16713 3.00229 -133.42655 1154.40935
350.0000 -142.47584 -133.21025 9.26559 2.96057 -134.07299 1138.80073
355.0000 -144.46164 -135.38127 9.08037 2.98179 -133.74413 1156.83122
360.0000 -141.39974 -133.15452 8.24522 2.96405 -134.01902 1137.69560
365.0000 -142.94405 -132.45226 10.49179 3.06867 -132.39784 1245.81912
370.0000 -144.03697 -135.42727 8.60971 2.91975 -134.70554 1152.56984
375.0000 -142.99151 -135.05604 7.93547 2.94672 -134.28754 1126.07490
380.0000 -141.51316 -132.95597 8.55719 2.97394 -133.86579 1158.37815
385.0000 -140.61974 -130.43067 10.18906 3.16309 -130.93471 1265.76628
390.0000 -143.53930 -135.74603 7.79327 3.03817 -132.87056 1204.36644
395.0000 -143.92118 -133.55790 10.36328 2.94460 -134.32041 1133.30929
400.0000 -143.17784 -133.43747 9.74037 3.05422 -132.62173 1183.79549
405.0000 -142.71679 -133.43486 9.28193 2.99327 -133.56627 1170.94717
410.0000 -140.18329 -131.18953 8.99376 3.10754 -131.79557 1265.93530
415.0000 -141.15472 -131.70006 9.45466 3.12341 -131.54956 1281.68778
420.0000 -141.84290 -133.32299 8.51991 3.14016 -131.29001 1263.52091
425.0000 -142.50643 -132.16161 10.34482 3.06595 -132.43994 1220.61224
430.0000 -142.46299 -134.59790 7.86509 3.04183 -132.81382 1231.68020
435.0000 -143.55358 -134.13472 9.41886 2.95777 -134.11639 1153.10536
440.0000 -142.59012 -132.23614 10.35398 3.04027 -132.83798 1178.97955
445.0000 -139.62371 -128.86571 10.75799 3.23988 -129.74477 1376.97092
450.0000 -141.18728 -132.44279 8.74449 3.23216 -129.86437 1360.43921
455.0000 -141.03395 -131.78786 9.24608 3.06491 -132.45617 1202.02772
460.0000 -143.90666 -133.78705 10.11962 3.02716 -133.04114 1186.07810
465.0000 -142.64567 -132.14242 10.50325 3.01330 -133.25588 1149.78062
470.0000 -145.16320 -135.28971 9.87349 2.99796 -133.49357 1197.53389
475.0000 -143.72376 -135.28188 8.44188 2.85749 -135.67031 1084.64268
480.0000 -144.56604 -133.69373 10.87231 2.94371 -134.33424 1182.44335
485.0000 -144.16722 -135.48426 8.68297 2.95743 -134.12164 1187.45570
490.0000 -141.83156 -132.53474 9.29682 3.00569 -133.37376 1164.49632
495.0000 -141.17610 -131.74423 9.43187 3.02503 -133.07411 1158.69347
500.0000 -142.31576 -134.12473 8.19103 3.07865 -132.24326 1230.20477
FREEZING PROCESS: loop number 3 T-loop= 1138.0000000000000
main_MD> interactions number 3 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33287 -3.08533 0.67869
force_rgl> df(natom) -2.14717 -2.24963 -0.59286
505.0000 -144.99828 -135.08892 9.90937 2.95952 -134.08920 1133.71800
510.0000 -143.29516 -134.34029 8.95488 2.89825 -135.03864 1091.55959
515.0000 -145.15127 -137.53039 7.62088 2.90006 -135.01068 1063.81767
520.0000 -144.14396 -136.15697 7.98699 2.77502 -136.94826 1025.19383
525.0000 -141.93841 -134.03995 7.89846 2.97095 -133.91218 1129.31311
530.0000 -142.11786 -132.90129 9.21657 2.99758 -133.49950 1146.29952
535.0000 -144.33478 -135.65105 8.68373 2.89923 -135.02344 1104.26367
540.0000 -142.06162 -133.76741 8.29421 2.88094 -135.30687 1076.21201
545.0000 -144.33315 -136.08197 8.25118 2.90873 -134.87631 1067.14197
550.0000 -145.12726 -135.81873 9.30853 2.88347 -135.26773 1064.49730
555.0000 -142.51441 -134.59375 7.92066 2.92255 -134.66210 1152.36442
560.0000 -143.82572 -135.28089 8.54483 2.91230 -134.82095 1080.78916
565.0000 -142.15222 -134.14033 8.01189 2.95225 -134.20197 1145.04220
570.0000 -143.16847 -135.72848 7.43999 2.94937 -134.24646 1153.85241
575.0000 -143.29824 -133.07556 10.22268 2.93891 -134.40859 1137.77574
580.0000 -144.38177 -135.22022 9.16155 2.96658 -133.97981 1185.15159
585.0000 -143.36568 -135.65804 7.70763 2.91265 -134.81553 1102.04079
590.0000 -143.87400 -133.96947 9.90453 2.87831 -135.34760 1096.91099
595.0000 -142.89932 -134.49027 8.40905 2.98178 -133.74437 1177.54356
600.0000 -141.51881 -133.21546 8.30336 2.91562 -134.76949 1137.39781
605.0000 -141.63599 -132.07711 9.55888 3.02830 -133.02344 1194.12316
610.0000 -140.96896 -131.91611 9.05285 3.10421 -131.84710 1244.95035
615.0000 -142.34197 -133.65689 8.68508 3.09125 -132.04803 1252.86129
620.0000 -142.67636 -132.39569 10.28067 2.99864 -133.48309 1184.74536
625.0000 -141.81833 -134.34849 7.46984 2.98126 -133.75240 1174.35590
630.0000 -144.20476 -134.36522 9.83954 2.96339 -134.02931 1152.14108
635.0000 -144.38234 -135.35457 9.02777 2.92637 -134.60294 1122.62688
640.0000 -143.13160 -135.82706 7.30454 2.90137 -134.99027 1106.52960
645.0000 -144.36917 -135.96800 8.40117 2.83226 -136.06130 1024.54852
650.0000 -144.02071 -136.73482 7.28589 2.78138 -136.84964 1008.74052
655.0000 -144.23156 -134.99827 9.23329 2.80926 -136.41771 1033.05705
660.0000 -141.50132 -133.38558 8.11574 2.98714 -133.66119 1202.19656
665.0000 -143.96133 -136.09031 7.87102 2.87770 -135.35721 1068.65369
670.0000 -144.07964 -134.64110 9.43854 2.88650 -135.22072 1105.94489
675.0000 -144.61888 -134.98378 9.63511 2.90051 -135.00371 1107.73657
680.0000 -142.22417 -134.43716 7.78701 2.90104 -134.99538 1102.87342
685.0000 -143.89791 -135.13020 8.76771 2.90865 -134.87746 1132.75155
690.0000 -142.87275 -135.20930 7.66345 2.83189 -136.06703 1064.39817
695.0000 -145.40413 -136.84423 8.55990 2.86069 -135.62071 1079.30226
700.0000 -143.51491 -133.86151 9.65340 2.88002 -135.32125 1075.38623
705.0000 -141.12317 -132.11300 9.01017 2.99501 -133.53926 1194.09056
710.0000 -142.18769 -132.95978 9.22791 3.08334 -132.17059 1187.73327
715.0000 -144.24950 -135.34544 8.90406 3.00011 -133.46025 1141.28573
720.0000 -142.81150 -131.77602 11.03548 3.01568 -133.21893 1209.10689
725.0000 -141.37987 -133.47125 7.90862 3.02485 -133.07692 1218.36206
730.0000 -143.58934 -134.79901 8.79033 3.01543 -133.22279 1149.59575
735.0000 -143.72162 -133.98156 9.74007 2.90654 -134.91016 1106.01366
740.0000 -143.99364 -133.84266 10.15098 2.95880 -134.10033 1142.92420
745.0000 -143.94371 -135.96900 7.97471 2.95720 -134.12523 1108.52668
750.0000 -144.13413 -135.00481 9.12932 2.84803 -135.81688 1065.02088
FREEZING PROCESS: loop number 4 T-loop= 1113.0000000000000
main_MD> interactions number 4 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.02418 -3.05702 -1.46098
force_rgl> df(natom) 1.96856 -0.86584 1.38730
755.0000 -144.63819 -135.19957 9.43863 2.93656 -134.44498 1177.17131
760.0000 -143.88301 -134.89232 8.99069 2.86178 -135.60379 1109.34646
765.0000 -143.18903 -134.36325 8.82578 2.94351 -134.33733 1211.39797
770.0000 -144.31727 -135.51976 8.79751 2.91276 -134.81378 1146.70805
775.0000 -143.25552 -135.85876 7.39675 2.87930 -135.33234 1086.65043
780.0000 -143.53818 -135.19038 8.34780 2.86979 -135.47963 1065.40887
785.0000 -144.20178 -135.95753 8.24425 2.81697 -136.29818 1049.42068
790.0000 -144.53499 -135.04013 9.49486 2.84356 -135.88616 1043.57194
795.0000 -143.21639 -135.49587 7.72052 2.90512 -134.93230 1137.43230
800.0000 -143.98449 -135.18685 8.79764 2.86280 -135.58807 1077.02740
805.0000 -141.47775 -134.61921 6.85854 2.87336 -135.42444 1072.19498
810.0000 -140.73916 -133.51124 7.22792 2.99926 -133.47339 1161.61218
815.0000 -143.28937 -135.01280 8.27657 2.91962 -134.70747 1122.42408
820.0000 -143.93759 -133.80980 10.12779 2.94780 -134.27080 1141.99601
825.0000 -143.06988 -132.97524 10.09465 3.03776 -132.87684 1192.75350
830.0000 -142.73610 -133.06107 9.67502 2.99214 -133.58380 1129.42048
835.0000 -142.66486 -134.17187 8.49299 3.01312 -133.25863 1197.47385
840.0000 -142.82809 -132.77120 10.05689 2.99152 -133.59331 1158.44217
845.0000 -142.43200 -131.86074 10.57127 3.04702 -132.73341 1187.23657
850.0000 -143.61429 -133.95677 9.65752 2.97809 -133.80147 1142.84459
855.0000 -145.86765 -136.22131 9.64633 2.96380 -134.02294 1156.98394
860.0000 -145.96148 -134.94325 11.01823 2.85721 -135.67464 1080.71669
865.0000 -144.32037 -135.96949 8.35088 2.93093 -134.53235 1145.32314
870.0000 -143.27091 -135.10963 8.16128 2.81281 -136.36261 1013.32582
875.0000 -144.65323 -136.38903 8.26420 2.88674 -135.21711 1072.44328
880.0000 -143.62581 -134.31014 9.31567 2.87101 -135.46086 1079.94833
885.0000 -141.91463 -133.26705 8.64758 2.99630 -133.51931 1156.89135
890.0000 -143.33684 -133.91218 9.42466 2.92836 -134.57214 1105.80459
895.0000 -142.79144 -134.50624 8.28520 2.90967 -134.86173 1093.04894
900.0000 -145.04518 -135.75024 9.29494 2.88517 -135.24130 1070.68141
905.0000 -143.88554 -134.79430 9.09125 2.87555 -135.39046 1075.94742
910.0000 -142.08490 -133.48398 8.60092 3.01049 -133.29936 1175.25449
915.0000 -143.23893 -135.55456 7.68437 2.90513 -134.93206 1144.43717
920.0000 -143.01122 -133.22759 9.78364 2.89951 -135.01916 1083.45900
925.0000 -144.18931 -134.56436 9.62495 2.92095 -134.68689 1095.66234
930.0000 -142.25587 -133.08641 9.16945 2.98153 -133.74813 1170.64630
935.0000 -143.62276 -134.33458 9.28818 3.09269 -132.02560 1229.12758
940.0000 -142.06052 -133.66964 8.39088 2.97552 -133.84124 1146.05967
945.0000 -144.04711 -135.14114 8.90596 2.90230 -134.97594 1110.28140
950.0000 -142.63809 -133.03923 9.59885 3.00905 -133.32181 1137.42862
955.0000 -142.81622 -133.86259 8.95363 2.95456 -134.16614 1125.01330
960.0000 -143.95174 -134.62722 9.32453 2.95186 -134.20791 1125.18851
965.0000 -143.74465 -135.37619 8.36846 2.87898 -135.33734 1092.37555
970.0000 -143.59553 -134.56351 9.03202 2.91280 -134.81324 1106.85904
975.0000 -144.77805 -135.21115 9.56689 2.87914 -135.33483 1085.42769
980.0000 -144.23000 -134.14911 10.08089 2.91832 -134.72762 1135.73076
985.0000 -142.93719 -134.43828 8.49891 2.95869 -134.10219 1136.69070
990.0000 -143.23825 -135.43412 7.80413 2.97309 -133.87896 1145.45529
995.0000 -141.86949 -133.00124 8.86825 2.93923 -134.40372 1064.31395
1000.0000 -142.70365 -131.95081 10.75284 3.05013 -132.68511 1171.46024
FREEZING PROCESS: loop number 5 T-loop= 1088.0000000000000
main_MD> interactions number 5 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.33392 -3.82977 12.59004
force_rgl> df(natom) -0.08496 -3.04192 2.53493
1005.0000 -142.71857 -133.46562 9.25295 2.99102 -133.60119 1166.56390
1010.0000 -143.67277 -134.88825 8.78452 2.97258 -133.88686 1164.73602
1015.0000 -142.86679 -135.40636 7.46043 2.87951 -135.32911 1106.80261
1020.0000 -143.67364 -135.69672 7.97691 2.80992 -136.40741 1019.00466
1025.0000 -143.90785 -135.25674 8.65112 2.87648 -135.37599 1062.33750
1030.0000 -145.84925 -137.71782 8.13143 2.81952 -136.25872 1070.93957
1035.0000 -144.50866 -136.33871 8.16995 2.79209 -136.68369 1039.94533
1040.0000 -142.31912 -133.59242 8.72671 2.90909 -134.87076 1115.14739
1045.0000 -145.38772 -136.65696 8.73076 2.96079 -134.06958 1137.89337
1050.0000 -144.03497 -134.80079 9.23418 2.85995 -135.63221 1109.53421
1055.0000 -141.95429 -133.18596 8.76833 2.92105 -134.68534 1127.30414
1060.0000 -144.46081 -134.20002 10.26079 3.07074 -132.36583 1261.92283
1065.0000 -143.99159 -134.94977 9.04182 2.91586 -134.76574 1147.00262
1070.0000 -142.63860 -134.46021 8.17840 2.98065 -133.76184 1154.18107
1075.0000 -144.90017 -136.62926 8.27091 2.90645 -134.91169 1092.12313
1080.0000 -145.03640 -135.79784 9.23856 2.87057 -135.46765 1086.22107
1085.0000 -142.98752 -132.73066 10.25686 3.02563 -133.06477 1179.79788
1090.0000 -141.59785 -132.49354 9.10431 3.03551 -132.91163 1190.90663
1095.0000 -143.06097 -134.89087 8.17010 3.02018 -133.14931 1148.70544
1100.0000 -143.84683 -135.28143 8.56540 2.93837 -134.41695 1092.50981
1105.0000 -141.36015 -132.14511 9.21505 3.02093 -133.13768 1191.41466
1110.0000 -146.04114 -136.33156 9.70957 2.93921 -134.40391 1118.75974
1115.0000 -144.56351 -135.96861 8.59490 2.85103 -135.77036 1063.10517
1120.0000 -142.41735 -132.71208 9.70527 2.89832 -135.03757 1139.37329
1125.0000 -143.71823 -134.31721 9.40103 3.00333 -133.41041 1163.24378
1130.0000 -142.19239 -133.47124 8.72115 2.98560 -133.68504 1165.07707
1135.0000 -143.73457 -135.36783 8.36674 2.87555 -135.39041 1080.03263
1140.0000 -143.76370 -135.61446 8.14924 2.89806 -135.04164 1087.87759
1145.0000 -143.66632 -134.79512 8.87120 2.86487 -135.55600 1091.84114
1150.0000 -142.96827 -135.26229 7.70598 2.91357 -134.80129 1131.29543
1155.0000 -144.84982 -136.14512 8.70470 2.88035 -135.31604 1097.79396
1160.0000 -144.61012 -136.19180 8.41832 2.83264 -136.05535 1052.27843
1165.0000 -143.93964 -136.41131 7.52832 2.79597 -136.62363 1017.33895
1170.0000 -143.86717 -134.17188 9.69529 2.84427 -135.87510 1054.53254
1175.0000 -144.27758 -135.64699 8.63059 2.93094 -134.53209 1144.78180
1180.0000 -142.56733 -134.48437 8.08296 2.90304 -134.96440 1113.82213
1185.0000 -143.26242 -134.22444 9.03798 2.97937 -133.78165 1140.02237
1190.0000 -144.14063 -135.53846 8.60217 2.88334 -135.26969 1166.85662
1195.0000 -145.45080 -137.97589 7.47491 2.78584 -136.78063 1038.02545
1200.0000 -146.41326 -138.01228 8.40098 2.68794 -138.29763 954.35035
1205.0000 -144.41657 -135.80323 8.61335 2.80319 -136.51179 1025.71183
1210.0000 -143.80822 -134.60300 9.20522 2.93852 -134.41462 1122.44277
1215.0000 -142.99577 -134.34855 8.64723 2.88083 -135.30859 1082.24434
1220.0000 -144.54297 -135.49987 9.04310 2.99840 -133.48680 1154.86359
1225.0000 -145.84739 -137.41610 8.43129 2.84603 -135.84788 1067.80744
1230.0000 -144.00675 -136.53253 7.47422 2.74997 -137.33643 1010.77025
1235.0000 -144.66976 -135.72678 8.94298 2.87486 -135.40111 1099.12804
1240.0000 -144.61916 -135.65838 8.96079 2.86344 -135.57811 1074.72843
1245.0000 -145.28972 -136.48884 8.80088 2.81303 -136.35929 1025.79999
1250.0000 -144.65530 -135.77262 8.88268 2.85910 -135.64528 1047.07569
FREEZING PROCESS: loop number 6 T-loop= 1063.0000000000000
main_MD> interactions number 6 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70212 -1.39490 2.49952
force_rgl> df(natom) -0.14695 0.05763 0.48092
1255.0000 -144.75030 -137.09014 7.66016 2.83358 -136.04087 1022.23800
1260.0000 -145.80032 -137.73740 8.06292 2.71685 -137.84971 997.11002
1265.0000 -144.73967 -137.43438 7.30529 2.74615 -137.39558 1019.84467
1270.0000 -144.19235 -136.86667 7.32568 2.74218 -137.45714 982.74634
1275.0000 -143.77555 -135.51311 8.26244 2.80087 -136.54772 1040.45757
1280.0000 -145.39746 -136.61390 8.78355 2.86874 -135.49605 1057.67882
1285.0000 -145.57624 -137.87822 7.69802 2.71036 -137.95017 992.51878
1290.0000 -142.25850 -134.97510 7.28340 2.77413 -136.96209 1000.15587
1295.0000 -140.84894 -134.15291 6.69603 2.96142 -134.05979 1096.24802
1300.0000 -144.10071 -136.63182 7.46889 2.84787 -135.81943 1047.84561
1305.0000 -143.62730 -134.33105 9.29625 2.83728 -135.98350 1032.18383
1310.0000 -144.01492 -132.73150 11.28342 2.91920 -134.71399 1142.45936
1315.0000 -143.48105 -135.23350 8.24755 2.97399 -133.86509 1159.63408
1320.0000 -146.13591 -138.10153 8.03438 2.77402 -136.96383 989.62814
1325.0000 -145.01574 -135.87421 9.14154 2.77958 -136.87763 1026.61362
1330.0000 -142.67455 -134.50033 8.17422 2.91098 -134.84139 1096.16386
1335.0000 -143.35917 -134.92985 8.42932 2.89716 -135.05554 1088.17507
1340.0000 -144.21230 -134.51609 9.69621 2.89609 -135.07220 1113.85985
1345.0000 -144.56852 -135.07310 9.49542 2.88032 -135.31650 1082.44833
1350.0000 -144.09716 -135.31835 8.77881 2.88291 -135.27639 1087.18969
1355.0000 -144.47385 -137.34120 7.13265 2.85415 -135.72210 1064.27087
1360.0000 -143.47295 -136.55995 6.91300 2.83257 -136.05649 1061.38138
1365.0000 -140.53244 -134.19864 6.33379 2.87818 -135.34968 1083.53595
1370.0000 -143.75390 -134.28178 9.47212 2.96812 -133.95591 1142.74109
1375.0000 -143.58950 -136.33624 7.25325 2.90395 -134.95034 1073.04497
1380.0000 -143.38354 -135.55700 7.82653 2.83328 -136.04541 1060.75067
1385.0000 -143.92186 -135.34975 8.57211 2.88728 -135.20865 1126.35205
1390.0000 -143.78807 -135.93613 7.85194 2.85920 -135.64388 1101.94521
1395.0000 -144.28201 -135.58688 8.69513 2.86347 -135.57763 1082.97373
1400.0000 -143.04939 -135.69769 7.35170 2.91292 -134.81130 1100.74694
1405.0000 -145.29380 -137.30053 7.99327 2.82290 -136.20627 1042.46336
1410.0000 -144.94613 -137.33341 7.61273 2.74756 -137.37376 1001.32977
1415.0000 -144.44214 -135.49826 8.94388 2.80574 -136.47228 1019.84614
1420.0000 -145.30625 -136.50742 8.79883 2.89818 -135.03982 1108.49157
1425.0000 -145.34891 -136.71115 8.63776 2.83878 -135.96019 1043.05290
1430.0000 -144.71211 -135.39186 9.32025 2.80592 -136.46943 1077.58089
1435.0000 -144.08760 -135.77894 8.30867 2.85163 -135.76106 1054.50397
1440.0000 -145.15633 -136.40543 8.75090 2.88415 -135.25715 1083.45966
1445.0000 -145.42373 -137.62546 7.79827 2.80222 -136.52678 1027.64880
1450.0000 -144.78769 -136.11145 8.67625 2.74725 -137.37861 974.84404
1455.0000 -143.75724 -135.23840 8.51884 2.91442 -134.78815 1102.08115
1460.0000 -144.79631 -136.60271 8.19360 2.83787 -135.97436 1082.24275
1465.0000 -145.03221 -137.53634 7.49587 2.71742 -137.84088 970.05691
1470.0000 -144.76050 -136.53763 8.22287 2.79158 -136.69168 1055.57210
1475.0000 -145.61099 -138.17110 7.43989 2.72614 -137.70563 1001.97730
1480.0000 -145.42638 -136.24863 9.17775 2.67909 -138.43487 985.54013
1485.0000 -145.18878 -135.97629 9.21249 2.83896 -135.95752 1092.43830
1490.0000 -144.67990 -136.48704 8.19286 2.75521 -137.25518 979.53688
1495.0000 -145.58180 -137.53365 8.04815 2.78498 -136.79385 995.69808
1500.0000 -144.18184 -135.52458 8.65726 2.83924 -135.95309 1060.20839
FREEZING PROCESS: loop number 7 T-loop= 1038.0000000000000
main_MD> interactions number 7 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.86052 -2.12820 4.32192
force_rgl> df(natom) 1.30783 -0.60900 -0.71746
1505.0000 -144.68574 -136.69580 7.98994 2.84185 -135.91274 1053.16186
1510.0000 -146.02596 -139.38925 6.63671 2.70645 -138.01085 991.07988
1515.0000 -143.77040 -138.18150 5.58889 2.68579 -138.33096 957.67551
1520.0000 -147.22814 -139.43770 7.79044 2.64265 -138.99952 923.45809
1525.0000 -145.78186 -138.78189 6.99998 2.61704 -139.39630 913.34288
1530.0000 -144.47330 -138.03115 6.44215 2.72578 -137.71133 983.98159
1535.0000 -145.26109 -137.46112 7.79997 2.69879 -138.12959 985.45355
1540.0000 -144.43396 -136.71524 7.71873 2.81354 -136.35134 1056.83868
1545.0000 -146.80288 -137.96733 8.83555 2.80593 -136.46924 1015.19084
1550.0000 -144.77097 -136.60341 8.16756 2.72194 -137.77076 937.13643
1555.0000 -146.12096 -138.60283 7.51812 2.69423 -138.20016 930.89433
1560.0000 -145.81278 -137.84637 7.96641 2.68464 -138.34879 914.78439
1565.0000 -144.78884 -137.57347 7.21537 2.71426 -137.88984 963.70978
1570.0000 -145.58516 -138.62011 6.96505 2.70095 -138.09601 969.94895
1575.0000 -145.66542 -137.22097 8.44445 2.68899 -138.28141 943.90953
1580.0000 -144.84446 -137.47412 7.37034 2.72634 -137.70258 1001.26308
1585.0000 -143.31207 -135.45031 7.86176 2.82943 -136.10506 1065.27818
1590.0000 -145.96112 -137.59180 8.36931 2.77493 -136.94966 1015.99924
1595.0000 -143.29636 -136.28482 7.01155 2.78807 -136.74601 1019.97182
1600.0000 -144.46422 -134.54965 9.91458 2.84981 -135.78936 1049.90852
1605.0000 -143.66989 -135.29523 8.37466 2.86361 -135.57541 1057.80529
1610.0000 -142.91595 -134.55491 8.36104 2.86965 -135.48186 1055.56999
1615.0000 -143.49400 -134.66578 8.82822 2.92316 -134.65263 1082.38418
1620.0000 -144.92629 -137.51077 7.41552 2.77065 -137.01591 979.23010
1625.0000 -145.30665 -136.87705 8.42960 2.80295 -136.51554 1052.24715
1630.0000 -143.30109 -135.08811 8.21298 2.81375 -136.34805 1026.64973
1635.0000 -142.86703 -134.93436 7.93267 2.96837 -133.95217 1133.63164
1640.0000 -145.63986 -137.86382 7.77603 2.84354 -135.88641 1083.45231
1645.0000 -143.92465 -137.45034 6.47431 2.73834 -137.51670 990.14109
1650.0000 -145.00003 -135.61436 9.38567 2.81009 -136.40488 1045.97528
1655.0000 -144.60766 -136.94680 7.66086 2.78634 -136.77281 1030.02013
1660.0000 -144.64606 -136.86329 7.78277 2.75006 -137.33509 972.69921
1665.0000 -144.59869 -136.03389 8.56480 2.81584 -136.31570 1035.70968
1670.0000 -142.71684 -135.07256 7.64428 2.80946 -136.41457 1004.17421
1675.0000 -143.87843 -135.51727 8.36115 2.85080 -135.77396 1051.83519
1680.0000 -143.82571 -135.86309 7.96263 2.83699 -135.98791 1052.53750
1685.0000 -141.34983 -134.06461 7.28521 2.98576 -133.68261 1170.10164
1690.0000 -144.16474 -135.82311 8.34163 2.85477 -135.71244 1077.96917
1695.0000 -141.85811 -131.47818 10.37993 2.96695 -133.97411 1165.03667
1700.0000 -144.57303 -135.11032 9.46271 2.97075 -133.91523 1144.64311
1705.0000 -144.24596 -135.65341 8.59255 2.91151 -134.83328 1072.70930
1710.0000 -143.04028 -135.65209 7.38820 2.84258 -135.90132 1052.64146
1715.0000 -143.53071 -136.38459 7.14611 2.80492 -136.48499 1015.12905
1720.0000 -144.46928 -136.90297 7.56630 2.81687 -136.29971 1013.28917
1725.0000 -144.53131 -137.41110 7.12021 2.72354 -137.74597 997.52318
1730.0000 -145.19879 -136.13537 9.06341 2.78407 -136.80798 1018.30239
1735.0000 -143.74893 -135.52222 8.22670 2.87654 -135.37518 1063.84231
1740.0000 -144.79652 -135.47577 9.32076 2.81902 -136.26639 1049.79192
1745.0000 -145.48305 -136.87226 8.61079 2.82972 -136.10062 1051.05478
1750.0000 -145.01465 -137.68246 7.33219 2.76353 -137.12632 1038.38055
FREEZING PROCESS: loop number 8 T-loop= 1013.0000000000000
main_MD> interactions number 8 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66478 0.98071 -1.14110
force_rgl> df(natom) -0.76655 0.85552 -0.70360
1755.0000 -146.17389 -138.14322 8.03067 2.71072 -137.94460 972.38812
1760.0000 -143.95064 -135.90677 8.04387 2.73331 -137.59454 986.18549
1765.0000 -144.15290 -134.38009 9.77281 2.81208 -136.37403 1012.91515
1770.0000 -143.34818 -135.38087 7.96732 2.94439 -134.32366 1132.68178
1775.0000 -142.57178 -135.33247 7.23932 2.81566 -136.31851 1044.14332
1780.0000 -145.55111 -136.65319 8.89792 2.85617 -135.69073 1043.97308
1785.0000 -146.43467 -137.88813 8.54654 2.74172 -137.46427 1014.15384
1790.0000 -146.92408 -138.23582 8.68826 2.67165 -138.55002 960.72866
1795.0000 -143.89506 -136.49597 7.39909 2.75477 -137.26199 1003.78572
1800.0000 -144.34867 -135.40123 8.94743 2.85593 -135.69444 1066.87822
1805.0000 -144.19622 -137.37117 6.82505 2.84462 -135.86970 1076.84136
1810.0000 -145.49385 -137.45214 8.04171 2.74283 -137.44704 982.79691
1815.0000 -143.53209 -135.38925 8.14283 2.80138 -136.53976 1018.11363
1820.0000 -145.91607 -137.35949 8.55658 2.82309 -136.20330 1046.19965
1825.0000 -145.02007 -135.91166 9.10841 2.81616 -136.31070 1046.86641
1830.0000 -146.00080 -137.13554 8.86525 2.78227 -136.83591 1043.75952
1835.0000 -144.62313 -137.67431 6.94882 2.78590 -136.77973 1042.37908
1840.0000 -143.00325 -135.87658 7.12667 2.76903 -137.04104 963.27299
1845.0000 -144.81335 -137.60417 7.20919 2.82620 -136.15519 1093.38239
1850.0000 -146.34316 -138.65706 7.68610 2.69563 -138.17842 919.52318
1855.0000 -144.28148 -138.35578 5.92570 2.62085 -139.33726 866.76793
1860.0000 -144.69912 -138.73497 5.96415 2.61930 -139.36123 907.10830
1865.0000 -146.84365 -138.38073 8.46291 2.65942 -138.73964 948.65111
1870.0000 -144.25433 -136.37313 7.88119 2.70558 -138.02432 977.17372
1875.0000 -144.94146 -136.70948 8.23198 2.85899 -135.64702 1056.06564
1880.0000 -143.05053 -135.64218 7.40835 2.87144 -135.45407 1085.32352
1885.0000 -145.04200 -137.20589 7.83611 2.76148 -137.15812 1023.38118
1890.0000 -143.07033 -135.84909 7.22124 2.80405 -136.49841 1044.18633
1895.0000 -143.71737 -137.29893 6.41844 2.80634 -136.46290 1007.96498
1900.0000 -144.51773 -137.23689 7.28084 2.78628 -136.77380 1020.89670
1905.0000 -144.71215 -135.97246 8.73969 2.77281 -136.98246 1018.72772
1910.0000 -143.82015 -135.00491 8.81524 2.84994 -135.78736 1066.39724
1915.0000 -144.61700 -137.37760 7.23940 2.82313 -136.20268 1041.82711
1920.0000 -143.46551 -135.94224 7.52327 2.80189 -136.53183 1003.92967
1925.0000 -144.44508 -135.93687 8.50821 2.82645 -136.15130 1033.41853
1930.0000 -144.58484 -135.53344 9.05139 2.86425 -135.56561 1088.10091
1935.0000 -142.98403 -134.82042 8.16361 2.85875 -135.65076 1073.56770
1940.0000 -145.42709 -138.58819 6.83890 2.80659 -136.45909 1036.22341
1945.0000 -144.84368 -136.79333 8.05035 2.73214 -137.61279 991.69614
1950.0000 -145.07091 -138.98242 6.08848 2.65160 -138.86075 964.79772
1955.0000 -145.94442 -137.63988 8.30454 2.70217 -138.07713 963.09217
1960.0000 -145.29414 -138.74016 6.55398 2.68822 -138.29330 968.11170
1965.0000 -145.76152 -138.32541 7.43611 2.69091 -138.25170 970.58466
1970.0000 -145.85634 -138.19766 7.65868 2.67808 -138.45043 963.53781
1975.0000 -143.38179 -134.85149 8.53030 2.76874 -137.04559 1014.13856
1980.0000 -145.99429 -137.67249 8.32181 2.78234 -136.83489 1047.00410
1985.0000 -144.73477 -136.50996 8.22481 2.81260 -136.36600 989.32523
1990.0000 -145.81954 -138.24340 7.57614 2.70714 -138.00016 946.36850
1995.0000 -145.67441 -137.31393 8.36048 2.77620 -136.93000 1041.73454
2000.0000 -144.57096 -136.53811 8.03285 2.80539 -136.47772 1038.46932
FREEZING PROCESS: loop number 9 T-loop= 988.00000000000000
main_MD> interactions number 9 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25170 0.60757 0.49597
force_rgl> df(natom) 3.91476 -1.46429 1.08285
2005.0000 -143.25398 -134.88425 8.36973 2.84051 -135.93345 1025.37994
2010.0000 -144.61840 -135.47391 9.14449 2.83260 -136.05596 1059.05812
2015.0000 -144.91429 -135.56179 9.35250 2.84130 -135.92115 1090.62978
2020.0000 -143.19377 -135.74697 7.44680 2.83391 -136.03571 1061.80261
2025.0000 -143.51773 -135.83223 7.68550 2.87707 -135.36686 1093.17363
2030.0000 -146.15059 -137.63917 8.51142 2.73792 -137.52321 1006.04106
2035.0000 -145.71465 -138.12024 7.59441 2.65900 -138.74618 969.52406
2040.0000 -145.72476 -139.03178 6.69298 2.69444 -138.19694 988.34798
2045.0000 -146.06495 -137.46997 8.59498 2.65384 -138.82605 915.79328
2050.0000 -145.30694 -136.57932 8.72762 2.72925 -137.65751 973.17418
2055.0000 -144.25234 -136.59658 7.65576 2.82263 -136.21055 1042.44840
2060.0000 -146.58744 -139.02937 7.55807 2.72502 -137.72309 964.33825
2065.0000 -147.08213 -138.18107 8.90106 2.70021 -138.10760 917.37541
2070.0000 -146.70446 -138.80752 7.89694 2.65217 -138.85194 942.34671
2075.0000 -145.65075 -138.89749 6.75326 2.63246 -139.15741 899.87549
2080.0000 -147.18634 -137.80246 9.38388 2.67878 -138.43958 946.49253
2085.0000 -145.34288 -137.39201 7.95087 2.75023 -137.33242 1006.99637
2090.0000 -145.37650 -138.49118 6.88532 2.71852 -137.82379 981.13395
2095.0000 -143.88745 -137.31741 6.57004 2.76645 -137.08104 1019.53858
2100.0000 -146.87438 -138.26869 8.60569 2.74587 -137.39996 969.65606
2105.0000 -145.61776 -137.66613 7.95163 2.70446 -138.04160 963.87451
2110.0000 -143.08990 -136.19313 6.89677 2.75667 -137.23256 999.16593
2115.0000 -145.74710 -139.26680 6.48029 2.74724 -137.37873 1017.99848
2120.0000 -146.39655 -138.59570 7.80085 2.63426 -139.12953 901.57554
2125.0000 -146.92826 -138.48185 8.44641 2.70635 -138.01232 978.96023
2130.0000 -144.86068 -136.40223 8.45845 2.76431 -137.11420 1000.91338
2135.0000 -145.26511 -138.20528 7.05983 2.76291 -137.13588 1003.92222
2140.0000 -146.13999 -139.11004 7.02995 2.65759 -138.76801 940.88781
2145.0000 -145.80212 -139.06884 6.73328 2.60247 -139.62209 903.26100
2150.0000 -145.50448 -137.01594 8.48854 2.67913 -138.43410 965.69950
2155.0000 -146.79332 -139.22198 7.57134 2.71386 -137.89594 983.61184
2160.0000 -144.45870 -136.78495 7.67375 2.75600 -137.24301 972.55748
2165.0000 -145.29339 -138.22131 7.07208 2.76129 -137.16105 991.16922
2170.0000 -144.90780 -138.05708 6.85072 2.68902 -138.28088 946.48309
2175.0000 -144.11006 -136.14161 7.96845 2.80935 -136.41632 1028.37113
2180.0000 -144.62026 -137.00941 7.61085 2.76639 -137.08194 977.18145
2185.0000 -146.05891 -138.51133 7.54757 2.71546 -137.87118 962.89970
2190.0000 -144.80189 -137.55521 7.24668 2.71652 -137.85473 979.17711
2195.0000 -144.25742 -137.26984 6.98758 2.75011 -137.33426 978.01464
2200.0000 -146.14814 -138.88534 7.26279 2.66120 -138.71208 921.31394
2205.0000 -146.59242 -138.04592 8.54651 2.71931 -137.81150 999.37787
2210.0000 -145.34462 -138.77222 6.57240 2.70854 -137.97840 941.04168
2215.0000 -146.17974 -138.00834 8.17139 2.66160 -138.70582 924.97482
2220.0000 -145.05694 -137.50761 7.54933 2.74001 -137.49083 975.57525
2225.0000 -146.04356 -137.78347 8.26009 2.81787 -136.28424 1028.69396
2230.0000 -145.16799 -137.47817 7.68982 2.76326 -137.13055 1000.41805
2235.0000 -144.31357 -136.65892 7.65465 2.76548 -137.09606 996.67401
2240.0000 -144.84060 -135.65636 9.18424 2.84140 -135.91964 1085.41624
2245.0000 -145.38519 -136.23083 9.15437 2.81878 -136.27021 1045.13469
2250.0000 -145.22064 -137.67557 7.54507 2.77633 -136.92801 1016.41424
FREEZING PROCESS: loop number 10 T-loop= 963.00000000000000
main_MD> interactions number 10 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.76248 -1.19409 1.53312
force_rgl> df(natom) -0.49042 -0.55821 -1.90973
2255.0000 -146.48818 -138.65349 7.83469 2.71901 -137.81615 989.97787
2260.0000 -146.66233 -137.85442 8.80791 2.67549 -138.49059 916.31550
2265.0000 -147.66219 -139.71438 7.94781 2.71366 -137.89905 949.09945
2270.0000 -145.37792 -138.77063 6.60729 2.67183 -138.54730 943.15087
2275.0000 -144.34704 -136.93584 7.41120 2.67411 -138.51190 962.10761
2280.0000 -146.20916 -137.46622 8.74294 2.75312 -137.28767 1010.25977
2285.0000 -146.50913 -139.93464 6.57449 2.70795 -137.98765 958.28198
2290.0000 -147.30576 -140.36925 6.93651 2.57608 -140.03097 886.50223
2295.0000 -146.66960 -137.91484 8.75475 2.57269 -140.08353 873.07456
2300.0000 -145.72417 -137.86784 7.85632 2.72098 -137.78568 975.52944
2305.0000 -146.33108 -140.51334 5.81775 2.66749 -138.61454 944.53140
2310.0000 -146.76696 -138.42863 8.33833 2.62584 -139.25998 901.50415
2315.0000 -146.50521 -138.44036 8.06485 2.64789 -138.91835 934.70347
2320.0000 -146.72444 -139.53808 7.18636 2.62153 -139.32667 894.09394
2325.0000 -146.68994 -139.42146 7.26848 2.62132 -139.33002 886.31017
2330.0000 -145.33793 -137.41978 7.91815 2.64828 -138.91223 938.21413
2335.0000 -145.42693 -137.45633 7.97060 2.70499 -138.03342 969.62568
2340.0000 -145.60745 -137.42344 8.18402 2.73052 -137.63780 1015.52396
2345.0000 -145.87730 -138.96380 6.91350 2.67685 -138.46955 942.97572
2350.0000 -145.96362 -139.24454 6.71908 2.60795 -139.53712 874.41885
2355.0000 -148.56796 -141.58833 6.97963 2.53029 -140.74059 841.86820
2360.0000 -145.30536 -137.78619 7.51917 2.63610 -139.10090 940.68064
2365.0000 -145.30631 -137.30922 7.99708 2.71561 -137.86882 963.55063
2370.0000 -145.76067 -137.98861 7.77206 2.69481 -138.19126 964.70722
2375.0000 -144.23626 -136.35621 7.88005 2.79025 -136.71222 1048.73542
2380.0000 -145.14562 -135.88024 9.26538 2.83926 -135.95282 1078.26802
2385.0000 -145.28804 -137.10036 8.18768 2.78389 -136.81082 1031.05568
2390.0000 -145.42360 -138.06485 7.35875 2.70232 -138.07475 948.90402
2395.0000 -144.21444 -136.01920 8.19524 2.79041 -136.70982 1029.66013
2400.0000 -145.60291 -136.56827 9.03463 2.78268 -136.82950 1021.42471
2405.0000 -147.02280 -139.82267 7.20013 2.67258 -138.53563 933.67314
2410.0000 -147.80521 -140.19237 7.61284 2.60030 -139.65573 906.60835
2415.0000 -145.81636 -139.58538 6.23098 2.57901 -139.98564 892.94018
2420.0000 -146.43559 -138.07935 8.35624 2.61394 -139.44431 877.02266
2425.0000 -146.40314 -139.69965 6.70349 2.63040 -139.18935 915.99049
2430.0000 -145.01092 -137.44339 7.56754 2.71244 -137.91793 984.11401
2435.0000 -145.96500 -136.59678 9.36822 2.67921 -138.43286 957.44253
2440.0000 -144.87682 -137.04187 7.83496 2.79557 -136.62979 1041.74171
2445.0000 -146.24294 -136.89749 9.34545 2.72873 -137.66553 974.57007
2450.0000 -144.69406 -137.62309 7.07097 2.79361 -136.66025 1019.45038
2455.0000 -144.84823 -137.12587 7.72236 2.74297 -137.44493 962.70353
2460.0000 -145.73843 -137.40201 8.33641 2.76668 -137.07746 1007.48342
2465.0000 -145.84297 -137.46631 8.37666 2.69497 -138.18878 951.37797
2470.0000 -146.36552 -139.64292 6.72260 2.70438 -138.04286 954.11101
2475.0000 -145.99879 -139.70998 6.28881 2.61307 -139.45790 892.97375
2480.0000 -148.19270 -139.77947 8.41323 2.63116 -139.17744 902.28696
2485.0000 -145.37037 -139.22287 6.14750 2.58802 -139.84603 865.41099
2490.0000 -144.12781 -136.70103 7.42678 2.70854 -137.97847 964.62634
2495.0000 -147.08062 -140.00807 7.07255 2.70445 -138.04187 948.24247
2500.0000 -145.13253 -137.88667 7.24587 2.60129 -139.64041 906.54146
FREEZING PROCESS: loop number 11 T-loop= 938.00000000000000
main_MD> interactions number 11 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35621 7.93732 -5.08638
force_rgl> df(natom) -1.04745 -0.88086 0.38034
2505.0000 -147.27146 -139.63643 7.63502 2.63807 -139.07039 922.00368
2510.0000 -146.88652 -140.10314 6.78338 2.63070 -139.18467 922.73335
2515.0000 -148.19041 -140.66413 7.52628 2.52782 -140.77885 843.23632
2520.0000 -146.62548 -138.99663 7.62886 2.61569 -139.41718 904.31132
2525.0000 -145.80160 -138.26601 7.53559 2.61591 -139.41390 924.43214
2530.0000 -147.27814 -139.63382 7.64431 2.72145 -137.77839 994.29791
2535.0000 -145.98296 -137.79122 8.19174 2.66342 -138.67762 939.18346
2540.0000 -147.30096 -138.14656 9.15440 2.75376 -137.27768 1043.99280
2545.0000 -147.51219 -140.73547 6.77672 2.60879 -139.52421 880.19169
2550.0000 -148.67959 -141.14416 7.53542 2.60337 -139.60822 926.11368
2555.0000 -146.22060 -139.36261 6.85799 2.52292 -140.85477 841.99529
2560.0000 -146.75819 -140.68008 6.07811 2.55537 -140.35193 856.19477
2565.0000 -148.02250 -139.35668 8.66582 2.59060 -139.80605 918.50150
2570.0000 -146.94344 -138.86957 8.07388 2.63456 -139.12483 914.50270
2575.0000 -146.62654 -139.13482 7.49173 2.61069 -139.49470 887.44996
2580.0000 -146.90166 -139.44514 7.45652 2.62385 -139.29079 904.89564
2585.0000 -146.46441 -139.23896 7.22544 2.69258 -138.22579 963.72564
2590.0000 -145.58326 -138.60861 6.97465 2.60265 -139.61933 906.69698
2595.0000 -147.03542 -141.29380 5.74162 2.58214 -139.93713 904.11764
2600.0000 -146.66993 -139.01991 7.65002 2.60268 -139.61880 913.58597
2605.0000 -144.29238 -137.25559 7.03679 2.67216 -138.54223 923.07508
2610.0000 -146.28336 -139.67455 6.60881 2.66713 -138.62006 938.67747
2615.0000 -148.04641 -140.50187 7.54454 2.53317 -140.69602 860.10106
2620.0000 -147.92012 -140.46035 7.45977 2.52615 -140.80471 850.28957
2625.0000 -146.52154 -138.78938 7.73216 2.69008 -138.26448 962.06969
2630.0000 -145.29166 -136.73924 8.55243 2.66470 -138.65783 929.00478
2635.0000 -146.45666 -137.99024 8.46642 2.74205 -137.45919 978.49163
2640.0000 -144.43557 -137.07703 7.35853 2.72086 -137.78753 958.20007
2645.0000 -144.97320 -137.18695 7.78625 2.81922 -136.26335 1018.48922
2650.0000 -146.07788 -140.32108 5.75680 2.69899 -138.12641 964.54531
2655.0000 -147.39463 -141.75230 5.64233 2.50379 -141.15122 826.40979
2660.0000 -146.20196 -138.99865 7.20331 2.54314 -140.54154 857.72173
2665.0000 -146.35382 -139.01126 7.34256 2.65913 -138.74417 939.44542
2670.0000 -146.20456 -139.34588 6.85868 2.62622 -139.25409 893.68281
2675.0000 -146.55222 -138.71288 7.83935 2.66363 -138.67435 944.61441
2680.0000 -145.14663 -136.81877 8.32786 2.73698 -137.53769 994.17791
2685.0000 -147.12078 -139.57629 7.54449 2.64054 -139.03213 936.16708
2690.0000 -146.32011 -137.77282 8.54729 2.66290 -138.68561 969.28340
2695.0000 -147.13200 -139.08587 8.04612 2.67929 -138.43176 983.24445
2700.0000 -145.33515 -138.20641 7.12874 2.68670 -138.31687 961.68259
2705.0000 -145.42030 -137.34513 8.07517 2.73174 -137.61887 932.45141
2710.0000 -145.86028 -137.89312 7.96716 2.69104 -138.24959 932.99105
2715.0000 -146.49971 -139.02427 7.47544 2.67216 -138.54225 931.97005
2720.0000 -147.82636 -140.24884 7.57752 2.57095 -140.11059 869.95214
2725.0000 -147.99482 -141.32715 6.66767 2.49221 -141.33062 827.06491
2730.0000 -145.83899 -137.93745 7.90154 2.60537 -139.57712 875.78498
2735.0000 -146.73703 -138.55485 8.18218 2.76835 -137.05166 1011.77926
2740.0000 -147.14788 -139.35626 7.79162 2.62128 -139.33066 940.66039
2745.0000 -145.50637 -138.00215 7.50423 2.65373 -138.82775 916.45978
2750.0000 -146.26661 -138.38811 7.87850 2.70011 -138.10907 955.60060
FREEZING PROCESS: loop number 12 T-loop= 913.00000000000000
main_MD> interactions number 12 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25571 1.01708 3.29233
force_rgl> df(natom) -0.99757 3.84836 -1.00895
2755.0000 -146.64316 -138.67201 7.97115 2.68891 -138.28270 949.73091
2760.0000 -147.38653 -139.97603 7.41050 2.59743 -139.70020 900.24012
2765.0000 -147.81054 -141.49678 6.31376 2.52220 -140.86597 823.74509
2770.0000 -146.63155 -139.05347 7.57807 2.53412 -140.68121 836.07169
2775.0000 -148.29460 -140.09393 8.20067 2.60609 -139.56600 931.14432
2780.0000 -147.08536 -139.08026 8.00511 2.58053 -139.96215 895.12169
2785.0000 -144.90537 -138.73123 6.17414 2.69472 -138.19253 945.70120
2790.0000 -144.69262 -138.69886 5.99377 2.70090 -138.09687 989.61520
2795.0000 -145.74880 -138.97529 6.77351 2.65190 -138.85610 927.55127
2800.0000 -147.60739 -138.86990 8.73750 2.65759 -138.76791 923.59503
2805.0000 -146.85781 -140.58079 6.27702 2.64227 -139.00538 956.96257
2810.0000 -146.40538 -140.30645 6.09893 2.55115 -140.41734 862.38204
2815.0000 -146.62239 -139.68353 6.93886 2.57810 -139.99969 877.61355
2820.0000 -146.33904 -139.45596 6.88308 2.65113 -138.86813 925.19792
2825.0000 -146.14852 -138.25831 7.89021 2.64363 -138.98427 907.52203
2830.0000 -146.36772 -137.64074 8.72698 2.65598 -138.79287 969.04910
2835.0000 -146.05030 -138.03158 8.01873 2.70764 -137.99237 968.56163
2840.0000 -146.07013 -139.68940 6.38072 2.62623 -139.25398 897.70078
2845.0000 -146.72019 -138.87679 7.84340 2.64936 -138.89551 911.21127
2850.0000 -145.80560 -139.28313 6.52247 2.63831 -139.06679 925.30805
2855.0000 -145.98830 -138.08440 7.90390 2.70223 -138.07620 959.80209
2860.0000 -146.00448 -137.95491 8.04957 2.72064 -137.79087 993.60053
2865.0000 -146.28706 -138.01244 8.27462 2.72223 -137.76624 1000.90138
2870.0000 -146.36669 -139.01203 7.35467 2.61025 -139.50155 891.68405
2875.0000 -147.72471 -140.40543 7.31929 2.60808 -139.53514 859.87833
2880.0000 -146.19715 -137.95951 8.23765 2.68538 -138.33735 952.14901
2885.0000 -146.20747 -139.01373 7.19374 2.64199 -139.00966 918.98291
2890.0000 -147.36594 -139.20007 8.16587 2.63296 -139.14964 929.47712
2895.0000 -144.77405 -138.37992 6.39413 2.67365 -138.51907 945.01736
2900.0000 -146.66736 -139.92317 6.74419 2.61451 -139.43556 906.16049
2905.0000 -147.02653 -138.87407 8.15245 2.56206 -140.24830 888.02053
2910.0000 -146.11355 -139.43037 6.68318 2.61073 -139.49406 947.39754
2915.0000 -146.54170 -136.99929 9.54240 2.69623 -138.16921 982.11770
2920.0000 -144.79382 -136.99496 7.79887 2.75690 -137.22899 1011.92154
2925.0000 -145.36170 -137.76319 7.59851 2.70997 -137.95627 1021.07402
2930.0000 -145.28866 -138.23735 7.05132 2.69733 -138.15217 976.93075
2935.0000 -146.98114 -141.46111 5.52002 2.54485 -140.51498 844.30184
2940.0000 -146.38199 -139.38999 6.99200 2.56660 -140.17796 895.14109
2945.0000 -146.93042 -140.03198 6.89844 2.61763 -139.38722 899.32004
2950.0000 -145.74139 -139.26705 6.47434 2.56966 -140.13051 878.79868
2955.0000 -146.50372 -138.32649 8.17723 2.64941 -138.89468 945.57339
2960.0000 -146.69225 -137.96554 8.72671 2.67675 -138.47098 921.29289
2965.0000 -145.96419 -137.94186 8.02233 2.65106 -138.86917 934.14416
2970.0000 -145.24545 -137.67138 7.57407 2.69068 -138.25518 943.74004
2975.0000 -145.78532 -138.42381 7.36150 2.73109 -137.62902 985.96448
2980.0000 -146.30122 -139.31073 6.99049 2.64785 -138.91883 929.41941
2985.0000 -148.62185 -141.71358 6.90827 2.58760 -139.85259 874.43054
2990.0000 -147.33346 -140.70793 6.62553 2.53454 -140.67469 880.89317
2995.0000 -146.57770 -139.55537 7.02233 2.58254 -139.93097 867.43983
3000.0000 -146.70756 -139.12004 7.58752 2.60578 -139.57083 923.15831
FREEZING PROCESS: loop number 13 T-loop= 888.00000000000000
main_MD> interactions number 13 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38007 -2.21432 -0.32036
force_rgl> df(natom) 0.24334 -2.57978 -0.56823
3005.0000 -148.92368 -143.17906 5.74463 2.49464 -141.29300 820.27797
3010.0000 -148.22941 -141.51787 6.71154 2.41842 -142.47417 788.56982
3015.0000 -146.72822 -139.70957 7.01865 2.53442 -140.67663 841.80338
3020.0000 -145.30411 -138.29095 7.01317 2.61309 -139.45754 908.21474
3025.0000 -144.78510 -137.62264 7.16246 2.67255 -138.53609 927.91080
3030.0000 -147.39062 -140.18210 7.20852 2.61237 -139.46867 865.16942
3035.0000 -147.91211 -141.86320 6.04891 2.50818 -141.08319 847.34377
3040.0000 -147.27642 -141.11266 6.16376 2.51016 -141.05253 805.53224
3045.0000 -146.86157 -140.84394 6.01763 2.50549 -141.12495 819.95379
3050.0000 -147.94610 -141.00686 6.93924 2.51317 -141.00594 821.32010
3055.0000 -145.45847 -139.22855 6.22992 2.63888 -139.05782 926.31097
3060.0000 -146.47986 -139.78346 6.69640 2.57251 -140.08633 864.16392
3065.0000 -148.17925 -142.25736 5.92188 2.53594 -140.65312 817.18767
3070.0000 -146.46724 -140.30417 6.16306 2.48024 -141.51624 813.88597
3075.0000 -144.52393 -137.63647 6.88746 2.59052 -139.80733 876.95614
3080.0000 -145.97803 -139.73552 6.24251 2.63646 -139.09545 913.17246
3085.0000 -147.36336 -138.75222 8.61113 2.58967 -139.82040 890.88828
3090.0000 -144.80243 -137.96124 6.84119 2.66947 -138.58391 936.80035
3095.0000 -146.38592 -139.48931 6.89660 2.69823 -138.13824 942.07132
3100.0000 -144.94885 -138.37496 6.57389 2.57805 -140.00058 877.71718
3105.0000 -146.80882 -139.51455 7.29427 2.58521 -139.88949 873.64461
3110.0000 -145.38323 -138.02977 7.35346 2.65533 -138.80300 907.40806
3115.0000 -145.63728 -138.70755 6.92973 2.71165 -137.93028 974.33705
3120.0000 -148.27440 -139.70242 8.57198 2.60800 -139.53648 925.50147
3125.0000 -147.85200 -141.96636 5.88564 2.47224 -141.64016 834.12658
3130.0000 -147.26923 -139.99428 7.27495 2.50385 -141.15031 847.99866
3135.0000 -146.78891 -139.62570 7.16321 2.61530 -139.42332 902.99194
3140.0000 -147.17584 -140.43159 6.74425 2.59528 -139.73352 873.12847
3145.0000 -146.36423 -139.71012 6.65411 2.60199 -139.62958 909.25256
3150.0000 -145.73277 -138.41429 7.31849 2.58038 -139.96444 874.11356
3155.0000 -145.54520 -138.88160 6.66360 2.61186 -139.47665 869.79663
3160.0000 -149.44107 -140.19826 9.24282 2.62382 -139.29126 905.94620
3165.0000 -147.98371 -141.68784 6.29588 2.50991 -141.05641 816.66640
3170.0000 -147.69586 -140.52548 7.17039 2.50614 -141.11476 821.95497
3175.0000 -146.68331 -140.68793 5.99538 2.54694 -140.48258 846.51843
3180.0000 -146.50450 -138.85332 7.65118 2.63786 -139.07362 900.64045
3185.0000 -146.87673 -140.15230 6.72443 2.59888 -139.67772 885.31638
3190.0000 -146.48581 -140.09183 6.39398 2.53545 -140.66072 837.58571
3195.0000 -146.84522 -139.86524 6.97998 2.56878 -140.14413 860.08621
3200.0000 -146.68937 -138.91729 7.77207 2.61619 -139.40946 912.81097
3205.0000 -145.45902 -138.95369 6.50533 2.66539 -138.64707 911.06027
3210.0000 -146.11101 -138.68713 7.42388 2.65384 -138.82606 914.69673
3215.0000 -146.89309 -139.21937 7.67373 2.62377 -139.29208 918.68963
3220.0000 -147.16568 -140.43446 6.73121 2.63204 -139.16388 907.10880
3225.0000 -145.13007 -138.29946 6.83060 2.56961 -140.13133 838.90168
3230.0000 -145.53148 -138.06076 7.47073 2.67264 -138.53470 959.82037
3235.0000 -146.98638 -141.56918 5.41720 2.62167 -139.32465 927.86496
3240.0000 -148.32239 -139.66550 8.65688 2.48485 -141.44478 820.93785
3245.0000 -148.86491 -141.50334 7.36156 2.55887 -140.29773 891.31089
3250.0000 -148.91465 -141.73496 7.17969 2.51111 -141.03779 850.07873
FREEZING PROCESS: loop number 14 T-loop= 863.00000000000000
main_MD> interactions number 14 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43801 3.42624 1.77752
force_rgl> df(natom) 3.69831 0.47302 1.88938
3255.0000 -147.97246 -140.86063 7.11184 2.49852 -141.23288 862.31227
3260.0000 -148.72287 -142.75437 5.96850 2.45343 -141.93162 806.23393
3265.0000 -147.65664 -140.78761 6.86903 2.49231 -141.32908 832.08859
3270.0000 -148.72367 -142.95450 5.76917 2.48210 -141.48736 811.02205
3275.0000 -146.76695 -139.31829 7.44866 2.49242 -141.32742 771.66853
3280.0000 -146.72131 -139.86960 6.85170 2.59648 -139.71489 889.95295
3285.0000 -146.27372 -139.30452 6.96921 2.55118 -140.41695 876.12512
3290.0000 -146.02155 -139.12970 6.89184 2.61310 -139.45733 906.87325
3295.0000 -148.43218 -141.34201 7.09016 2.59877 -139.67942 900.04897
3300.0000 -147.34598 -140.97022 6.37576 2.51710 -140.94501 830.30160
3305.0000 -148.31320 -141.12975 7.18345 2.50481 -141.13552 856.63927
3310.0000 -148.01243 -141.19998 6.81245 2.58300 -139.92375 907.00647
3315.0000 -147.66024 -143.15162 4.50862 2.40700 -142.65103 745.59297
3320.0000 -147.23692 -140.77329 6.46363 2.46976 -141.67854 827.32780
3325.0000 -147.66910 -141.80010 5.86900 2.53682 -140.63941 841.38928
3330.0000 -147.79966 -140.73378 7.06589 2.49479 -141.29069 840.35872
3335.0000 -147.90772 -140.58472 7.32300 2.52355 -140.84502 845.08150
3340.0000 -147.72136 -140.60978 7.11159 2.52413 -140.83611 838.09052
3345.0000 -147.38575 -139.96144 7.42432 2.54641 -140.49079 848.22558
3350.0000 -147.69625 -140.35604 7.34021 2.50346 -141.15643 820.49485
3355.0000 -147.29512 -139.98999 7.30514 2.56069 -140.26954 873.18411
3360.0000 -147.83562 -141.48868 6.34694 2.54141 -140.56833 858.96242
3365.0000 -148.44203 -142.17801 6.26402 2.54326 -140.53967 877.00036
3370.0000 -149.52573 -142.45299 7.07275 2.44137 -142.11849 769.63541
3375.0000 -147.77527 -141.13124 6.64403 2.48257 -141.48009 811.17985
3380.0000 -148.34585 -140.58580 7.76006 2.51081 -141.04254 835.08091
3385.0000 -147.31074 -140.81319 6.49755 2.52482 -140.82544 870.71799
3390.0000 -146.22100 -139.35387 6.86714 2.56132 -140.25980 859.61340
3395.0000 -145.81671 -139.24544 6.57128 2.57605 -140.03157 878.59018
3400.0000 -144.97157 -139.26736 5.70422 2.62522 -139.26952 885.08374
3405.0000 -146.10455 -140.11933 5.98522 2.59205 -139.78359 863.10505
3410.0000 -145.98102 -139.63589 6.34514 2.61527 -139.42371 906.39766
3415.0000 -147.57173 -140.96954 6.60218 2.55145 -140.41274 859.21598
3420.0000 -146.82380 -140.24064 6.58316 2.59524 -139.73410 898.45576
3425.0000 -146.43610 -140.50997 5.92612 2.59618 -139.71964 876.37143
3430.0000 -146.43413 -138.83675 7.59738 2.57012 -140.12341 877.39775
3435.0000 -146.69110 -139.06654 7.62456 2.62339 -139.29798 914.78322
3440.0000 -147.25215 -139.67037 7.58179 2.65021 -138.88232 930.05129
3445.0000 -147.79547 -141.84155 5.95392 2.49344 -141.31162 804.41366
3450.0000 -147.62974 -141.78730 5.84243 2.49217 -141.33124 819.51037
3455.0000 -145.61750 -138.03160 7.58589 2.58862 -139.83668 894.04402
3460.0000 -146.24945 -139.25164 6.99781 2.67902 -138.43585 940.53883
3465.0000 -146.96114 -139.29757 7.66357 2.61839 -139.37546 906.00305
3470.0000 -146.70024 -140.44168 6.25856 2.54879 -140.45391 852.07821
3475.0000 -147.20461 -141.11692 6.08769 2.56173 -140.25340 881.63622
3480.0000 -146.96484 -141.73357 5.23127 2.47833 -141.54583 821.43826
3485.0000 -148.83482 -142.76008 6.07475 2.43164 -142.26926 786.87636
3490.0000 -148.05903 -141.96330 6.09573 2.40939 -142.61408 752.04950
3495.0000 -146.29445 -138.82570 7.46876 2.57889 -139.98756 882.52858
3500.0000 -145.42874 -138.15083 7.27791 2.70276 -138.06796 961.77170
FREEZING PROCESS: loop number 15 T-loop= 838.00000000000000
main_MD> interactions number 15 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70631 3.44792 -0.89699
force_rgl> df(natom) -2.34398 1.05208 3.47130
3505.0000 -145.72187 -139.91349 5.80838 2.63372 -139.13784 886.52474
3510.0000 -145.89322 -139.97231 5.92092 2.57785 -140.00355 855.68129
3515.0000 -147.19003 -139.29531 7.89472 2.64653 -138.93934 928.55344
3520.0000 -147.02610 -141.15695 5.86915 2.58040 -139.96408 849.85724
3525.0000 -149.23953 -141.84437 7.39515 2.45967 -141.83498 816.48203
3530.0000 -148.16071 -142.35249 5.80822 2.45204 -141.95319 816.45418
3535.0000 -147.14321 -140.49552 6.64769 2.45568 -141.89677 796.46624
3540.0000 -147.19618 -140.33689 6.85929 2.57956 -139.97704 874.26232
3545.0000 -148.25340 -141.39001 6.86339 2.57412 -140.06137 875.95046
3550.0000 -148.79702 -143.64774 5.14928 2.41082 -142.59194 777.46614
3555.0000 -147.45383 -141.00273 6.45111 2.43019 -142.29178 775.93613
3560.0000 -147.93002 -141.31779 6.61223 2.50483 -141.13506 839.66543
3565.0000 -147.70894 -141.75138 5.95756 2.49167 -141.33913 839.27942
3570.0000 -149.82821 -143.10691 6.72130 2.45204 -141.95318 830.69995
3575.0000 -148.59294 -141.98157 6.61137 2.42113 -142.43210 779.10842
3580.0000 -148.45824 -141.67056 6.78767 2.47949 -141.52786 801.08827
3585.0000 -148.77082 -141.79402 6.97680 2.48169 -141.49363 834.61579
3590.0000 -146.41425 -140.54203 5.87222 2.49800 -141.24097 819.27349
3595.0000 -146.68046 -140.97064 5.70981 2.51603 -140.96152 831.05225
3600.0000 -148.48626 -141.84410 6.64216 2.50184 -141.18154 796.72518
3605.0000 -148.06131 -141.01433 7.04697 2.51600 -140.96204 822.21655
3610.0000 -148.78371 -141.93880 6.84491 2.51046 -141.04790 812.53986
3615.0000 -147.46810 -140.00800 7.46010 2.52709 -140.79018 830.05419
3620.0000 -147.62338 -141.14970 6.47368 2.50205 -141.17820 850.47939
3625.0000 -147.00534 -140.26200 6.74335 2.53997 -140.59065 832.74654
3630.0000 -147.36497 -141.02165 6.34332 2.56108 -140.26344 884.17470
3635.0000 -148.21736 -142.85251 5.36485 2.47429 -141.60841 820.05276
3640.0000 -147.75181 -142.73342 5.01839 2.38364 -143.01306 752.84476
3645.0000 -148.46799 -141.72147 6.74652 2.45915 -141.84297 809.51622
3650.0000 -148.07865 -142.06279 6.01586 2.48964 -141.37053 802.34961
3655.0000 -146.29962 -139.33021 6.96941 2.52800 -140.77606 834.21704
3660.0000 -146.50951 -139.02074 7.48877 2.62329 -139.29953 908.16603
3665.0000 -145.01282 -137.95855 7.05427 2.65057 -138.87667 924.85562
3670.0000 -146.77375 -139.58133 7.19243 2.63806 -139.07060 931.60215
3675.0000 -147.28816 -140.36352 6.92464 2.56700 -140.17168 857.21822
3680.0000 -149.22392 -142.33370 6.89021 2.45379 -141.92606 783.71772
3685.0000 -148.19391 -140.62423 7.56967 2.45785 -141.86318 798.21007
3690.0000 -147.29475 -141.05457 6.24018 2.52863 -140.76634 834.78935
3695.0000 -149.10848 -143.43573 5.67275 2.42653 -142.34852 755.79314
3700.0000 -147.83549 -141.62145 6.21404 2.43664 -142.19180 787.48500
3705.0000 -148.95064 -143.01085 5.93978 2.43433 -142.22753 760.82995
3710.0000 -146.98446 -139.61552 7.36895 2.51263 -141.01424 834.46044
3715.0000 -146.98002 -140.83240 6.14762 2.53871 -140.61005 816.21038
3720.0000 -148.04345 -142.26773 5.77573 2.45772 -141.86507 789.44991
3725.0000 -148.36652 -142.28682 6.07970 2.42293 -142.40433 767.19666
3730.0000 -147.99357 -141.32850 6.66507 2.44813 -142.01383 791.89380
3735.0000 -148.29707 -140.71343 7.58364 2.49482 -141.29025 820.43822
3740.0000 -147.73554 -140.89428 6.84127 2.47010 -141.67325 848.01261
3745.0000 -145.92231 -140.42447 5.49784 2.56380 -140.22128 879.66950
3750.0000 -147.04920 -140.32701 6.72218 2.56268 -140.23866 873.03695
FREEZING PROCESS: loop number 16 T-loop= 813.00000000000000
main_MD> interactions number 16 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15222 -2.10231 -3.14648
force_rgl> df(natom) -1.35988 -1.21026 0.91676
3755.0000 -147.13407 -140.22258 6.91149 2.54581 -140.50009 841.53716
3760.0000 -147.21295 -140.75373 6.45922 2.54095 -140.57534 830.27499
3765.0000 -147.09955 -140.37892 6.72063 2.51050 -141.04721 826.04185
3770.0000 -146.71299 -139.81294 6.90005 2.59123 -139.79624 887.35272
3775.0000 -148.14925 -142.26971 5.87954 2.52496 -140.82316 859.01157
3780.0000 -148.77290 -143.19579 5.57711 2.40515 -142.67982 748.39410
3785.0000 -148.95337 -142.37870 6.57467 2.38475 -142.99590 739.14012
3790.0000 -147.76782 -141.60926 6.15855 2.49781 -141.24387 811.78415
3795.0000 -148.37300 -142.48035 5.89265 2.45288 -141.94014 789.65170
3800.0000 -147.33841 -141.93165 5.40676 2.43972 -142.14407 754.96623
3805.0000 -148.54395 -140.87414 7.66981 2.46746 -141.71422 784.75026
3810.0000 -149.03582 -142.83233 6.20349 2.43789 -142.17237 800.66645
3815.0000 -148.42044 -142.12949 6.29096 2.42848 -142.31832 788.08982
3820.0000 -147.81294 -141.83755 5.97539 2.45579 -141.89498 791.69632
3825.0000 -148.03597 -141.84132 6.19465 2.45032 -141.97976 796.03835
3830.0000 -147.76950 -140.55770 7.21181 2.47708 -141.56520 845.55060
3835.0000 -146.60125 -140.21208 6.38918 2.54516 -140.51012 897.59750
3840.0000 -147.64284 -142.31175 5.33110 2.46164 -141.80436 820.86091
3845.0000 -148.40736 -142.49662 5.91074 2.42746 -142.33404 780.27294
3850.0000 -147.62778 -141.74333 5.88445 2.45457 -141.91394 784.97291
3855.0000 -147.37053 -141.02603 6.34450 2.50849 -141.07835 837.53541
3860.0000 -148.90052 -142.68270 6.21782 2.47123 -141.65584 840.66567
3865.0000 -148.74400 -141.79896 6.94504 2.41570 -142.51623 782.18331
3870.0000 -147.88134 -141.43392 6.44742 2.48443 -141.45119 831.75553
3875.0000 -147.64651 -141.26924 6.37727 2.49233 -141.32891 810.19399
3880.0000 -148.73722 -142.77252 5.96470 2.42869 -142.31505 777.47927
3885.0000 -148.51447 -143.26894 5.24552 2.37091 -143.21032 755.24072
3890.0000 -148.36427 -141.61522 6.74905 2.41865 -142.47058 760.99449
3895.0000 -147.85443 -142.22186 5.63258 2.45483 -141.90996 787.51677
3900.0000 -149.95075 -141.78321 8.16753 2.42228 -142.41436 774.28173
3905.0000 -146.96566 -140.08894 6.87672 2.51520 -140.97449 851.37839
3910.0000 -148.11978 -141.44970 6.67008 2.50697 -141.10199 830.84472
3915.0000 -147.57150 -141.71306 5.85844 2.48746 -141.40434 830.89476
3920.0000 -146.82183 -140.64815 6.17367 2.54964 -140.44072 834.59850
3925.0000 -148.47929 -141.90929 6.56999 2.51862 -140.92137 852.86989
3930.0000 -149.17317 -142.35120 6.82197 2.47801 -141.55080 821.59248
3935.0000 -147.61279 -141.43513 6.17766 2.46991 -141.67623 797.08318
3940.0000 -147.35101 -140.86350 6.48751 2.53851 -140.61319 842.79308
3945.0000 -147.98128 -141.68079 6.30049 2.48419 -141.45501 817.63739
3950.0000 -148.86070 -142.80394 6.05676 2.46984 -141.67730 807.59122
3955.0000 -148.56832 -143.28927 5.27905 2.35634 -143.43616 735.85885
3960.0000 -148.69565 -143.07717 5.61848 2.31550 -144.06902 696.35865
3965.0000 -149.48622 -143.67790 5.80832 2.36981 -143.22745 751.90551
3970.0000 -147.72807 -142.14465 5.58342 2.42193 -142.41970 774.24123
3975.0000 -146.75408 -140.88018 5.87390 2.46726 -141.71739 801.19950
3980.0000 -148.46431 -142.14980 6.31451 2.51861 -140.92155 836.80787
3985.0000 -149.33790 -142.44539 6.89251 2.46322 -141.77995 788.52304
3990.0000 -147.82100 -142.10569 5.71530 2.40686 -142.65333 760.22292
3995.0000 -149.13496 -143.19183 5.94313 2.43006 -142.29374 771.93802
4000.0000 -147.03473 -139.84248 7.19225 2.48644 -141.42003 800.77601
FREEZING PROCESS: loop number 17 T-loop= 788.00000000000000
main_MD> interactions number 17 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67540 -0.08213 -1.44500
force_rgl> df(natom) 2.05861 0.38055 2.76131
4005.0000 -148.51838 -142.70604 5.81235 2.47281 -141.63130 796.31481
4010.0000 -147.94137 -142.35846 5.58290 2.45165 -141.95924 776.66834
4015.0000 -148.32961 -141.71762 6.61198 2.45162 -141.95973 786.19122
4020.0000 -148.72819 -143.10550 5.62269 2.43122 -142.27580 777.00278
4025.0000 -149.18736 -143.25091 5.93644 2.35369 -143.47714 705.27345
4030.0000 -147.16824 -141.93256 5.23568 2.40163 -142.73432 744.50594
4035.0000 -147.83112 -140.39458 7.43654 2.48000 -141.51995 820.52836
4040.0000 -147.45167 -141.40194 6.04973 2.54417 -140.52547 821.93381
4045.0000 -147.90291 -141.23894 6.66397 2.49335 -141.31300 814.27642
4050.0000 -149.05361 -142.27425 6.77935 2.45333 -141.93312 819.56999
4055.0000 -148.67039 -142.60408 6.06631 2.43457 -142.22393 812.02192
4060.0000 -148.66678 -142.53094 6.13584 2.42964 -142.30032 788.65147
4065.0000 -149.83262 -143.73828 6.09434 2.30338 -144.25682 706.65062
4070.0000 -148.70975 -141.64806 7.06168 2.38513 -142.99003 756.29008
4075.0000 -148.07944 -142.16813 5.91131 2.44041 -142.13332 797.79380
4080.0000 -148.61517 -142.65538 5.95979 2.41486 -142.52932 729.11967
4085.0000 -148.09797 -141.88448 6.21349 2.49803 -141.24058 840.81979
4090.0000 -149.20271 -143.27182 5.93088 2.45709 -141.87486 782.76605
4095.0000 -149.91612 -144.73740 5.17872 2.31288 -144.10955 673.21345
4100.0000 -148.59229 -143.25617 5.33613 2.36478 -143.30539 745.40784
4105.0000 -148.69797 -143.32582 5.37216 2.35420 -143.46926 716.62763
4110.0000 -149.11518 -143.36094 5.75424 2.36848 -143.24795 697.03575
4115.0000 -147.75115 -141.24952 6.50163 2.41871 -142.46969 765.38610
4120.0000 -147.34365 -140.49444 6.84921 2.54727 -140.47741 855.67608
4125.0000 -148.26684 -142.97168 5.29516 2.50861 -141.07659 814.94030
4130.0000 -149.22613 -144.27255 4.95358 2.35312 -143.48600 740.90008
4135.0000 -149.37103 -143.49870 5.87233 2.30513 -144.22973 670.25784
4140.0000 -148.46011 -142.58868 5.87142 2.37699 -143.11610 723.81900
4145.0000 -148.29482 -142.37683 5.91799 2.38416 -143.00502 751.44305
4150.0000 -148.29232 -141.66945 6.62287 2.43288 -142.25001 770.54643
4155.0000 -148.15580 -142.28982 5.86598 2.45429 -141.91829 796.49507
4160.0000 -149.73364 -143.10281 6.63083 2.41950 -142.45737 783.13131
4165.0000 -148.16347 -142.46812 5.69535 2.37656 -143.12282 730.12873
4170.0000 -149.45597 -143.09606 6.35992 2.43864 -142.16077 794.05789
4175.0000 -149.02831 -143.84335 5.18495 2.37797 -143.10089 754.40486
4180.0000 -149.15253 -143.75269 5.39985 2.34045 -143.68242 728.51047
4185.0000 -147.46347 -140.94389 6.51958 2.42314 -142.40105 771.58381
4190.0000 -149.08195 -142.72270 6.35925 2.44011 -142.13804 794.95508
4195.0000 -150.19846 -144.54187 5.65659 2.30245 -144.27122 705.41203
4200.0000 -148.92773 -141.83807 7.08966 2.37904 -143.08439 731.64943
4205.0000 -147.25783 -141.69048 5.56735 2.45012 -141.98290 797.67511
4210.0000 -149.40240 -143.43814 5.96426 2.43481 -142.22016 764.91513
4215.0000 -148.05009 -140.56580 7.48429 2.45957 -141.83653 812.37772
4220.0000 -147.02149 -140.87915 6.14234 2.53751 -140.62866 846.27330
4225.0000 -147.19324 -141.12512 6.06813 2.59288 -139.77071 899.40954
4230.0000 -146.58544 -139.18487 7.40057 2.58397 -139.90884 858.80287
4235.0000 -148.38523 -140.73743 7.64780 2.64083 -139.02770 934.49906
4240.0000 -147.24052 -140.35665 6.88387 2.53137 -140.72383 835.44535
4245.0000 -147.21235 -140.74125 6.47110 2.56319 -140.23079 870.16085
4250.0000 -147.86195 -141.35644 6.50551 2.46517 -141.74972 797.93271
FREEZING PROCESS: loop number 18 T-loop= 763.00000000000000
main_MD> interactions number 18 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13535 1.21439 -1.02539
force_rgl> df(natom) -3.28945 -1.94181 0.89154
4255.0000 -148.93938 -143.12048 5.81889 2.43237 -142.25794 775.00842
4260.0000 -148.64377 -141.11940 7.52437 2.43620 -142.19858 805.51855
4265.0000 -149.23211 -142.29580 6.93631 2.41562 -142.51746 799.35466
4270.0000 -147.64544 -140.69039 6.95505 2.43184 -142.26620 765.74452
4275.0000 -147.37299 -140.46562 6.90736 2.54263 -140.54932 851.43200
4280.0000 -146.60262 -140.35324 6.24938 2.49493 -141.28859 821.41189
4285.0000 -148.83295 -142.56961 6.26334 2.47500 -141.59743 804.83883
4290.0000 -149.63949 -143.05205 6.58744 2.39863 -142.78074 742.92427
4295.0000 -147.81380 -142.12019 5.69362 2.43582 -142.20455 795.83805
4300.0000 -148.19845 -141.34225 6.85620 2.43659 -142.19265 789.06368
4305.0000 -149.02098 -143.64401 5.37697 2.43513 -142.21527 758.69698
4310.0000 -148.88139 -143.22738 5.65400 2.32579 -143.90949 697.79274
4315.0000 -146.61442 -140.37051 6.24391 2.43772 -142.17509 771.60569
4320.0000 -147.04349 -140.28248 6.76101 2.55900 -140.29571 868.34906
4325.0000 -147.52379 -141.78774 5.73604 2.50594 -141.11791 825.01367
4330.0000 -149.30333 -144.24207 5.06126 2.41651 -142.50373 740.47208
4335.0000 -149.25772 -142.68051 6.57721 2.37376 -143.16625 736.29738
4340.0000 -148.54801 -141.14702 7.40099 2.48245 -141.48189 807.33351
4345.0000 -148.72513 -142.40408 6.32105 2.44679 -142.03447 770.88497
4350.0000 -148.76758 -142.21842 6.54916 2.42343 -142.39644 757.71092
4355.0000 -147.09857 -141.42750 5.67107 2.46643 -141.73016 777.19609
4360.0000 -148.93058 -142.42583 6.50474 2.46483 -141.75496 779.91751
4365.0000 -148.00718 -143.51156 4.49562 2.35023 -143.53080 701.71954
4370.0000 -148.64362 -142.30026 6.34336 2.38550 -142.98426 748.48851
4375.0000 -148.42769 -142.16605 6.26164 2.38198 -143.03884 747.99422
4380.0000 -148.16640 -141.10129 7.06511 2.51085 -141.04190 860.88509
4385.0000 -147.62247 -142.32174 5.30072 2.49226 -141.32985 808.33809
4390.0000 -149.20280 -141.69150 7.51130 2.42675 -142.34503 768.35176
4395.0000 -147.96860 -142.07502 5.89358 2.42835 -142.32020 794.51273
4400.0000 -150.38701 -143.28437 7.10264 2.43000 -142.29471 780.94912
4405.0000 -148.16659 -142.65947 5.50713 2.35571 -143.44592 733.04492
4410.0000 -147.82678 -141.60385 6.22293 2.41769 -142.48541 766.41646
4415.0000 -149.95942 -143.57054 6.38888 2.42561 -142.36271 771.27602
4420.0000 -148.46955 -142.52227 5.94728 2.38939 -142.92396 734.78191
4425.0000 -150.37220 -144.17177 6.20043 2.38022 -143.06613 729.45116
4430.0000 -150.17813 -143.75455 6.42358 2.33765 -143.72568 709.91908
4435.0000 -150.16589 -144.69304 5.47285 2.29666 -144.36092 723.72610
4440.0000 -149.21909 -143.58876 5.63033 2.32830 -143.87071 703.52633
4445.0000 -149.33279 -143.30369 6.02910 2.36842 -143.24897 743.04541
4450.0000 -148.81673 -143.50634 5.31038 2.38980 -142.91764 728.63807
4455.0000 -147.79405 -141.69626 6.09778 2.43635 -142.19623 768.61493
4460.0000 -148.74955 -142.84785 5.90169 2.44759 -142.02216 788.62764
4465.0000 -148.92434 -142.41667 6.50767 2.35373 -143.47651 735.93890
4470.0000 -149.35825 -143.21207 6.14618 2.39024 -142.91075 744.27159
4475.0000 -148.14619 -142.91241 5.23379 2.41658 -142.50272 792.68254
4480.0000 -148.04862 -141.65378 6.39484 2.40248 -142.72109 789.94724
4485.0000 -149.04547 -142.54223 6.50324 2.41686 -142.49833 789.47952
4490.0000 -149.51491 -144.17273 5.34218 2.33799 -143.72051 717.49329
4495.0000 -147.94568 -141.82425 6.12143 2.40213 -142.72656 768.97097
4500.0000 -148.16833 -142.05474 6.11359 2.46465 -141.75778 800.57965
FREEZING PROCESS: loop number 19 T-loop= 738.00000000000000
main_MD> interactions number 19 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90493 -2.20661 -0.92015
force_rgl> df(natom) -0.24285 -2.70598 -0.70435
4505.0000 -149.64684 -143.71576 5.93108 2.41674 -142.50010 777.88314
4510.0000 -149.57585 -143.98265 5.59320 2.32133 -143.97857 709.85238
4515.0000 -150.56028 -144.63738 5.92290 2.27738 -144.65971 678.72567
4520.0000 -149.27300 -144.35791 4.91509 2.29057 -144.45524 694.66183
4525.0000 -148.82958 -143.92821 4.90137 2.30266 -144.26800 700.80053
4530.0000 -148.24569 -142.32128 5.92441 2.38117 -143.05143 733.52760
4535.0000 -148.22550 -142.31180 5.91370 2.46079 -141.81756 795.88750
4540.0000 -148.27091 -142.15328 6.11763 2.47169 -141.64865 816.08548
4545.0000 -147.80243 -141.65308 6.14935 2.46884 -141.69281 795.15393
4550.0000 -149.51597 -143.75580 5.76017 2.40272 -142.71735 754.22262
4555.0000 -149.28005 -144.23646 5.04359 2.33318 -143.79500 690.45862
4560.0000 -149.46766 -143.95089 5.51678 2.34423 -143.62372 710.26980
4565.0000 -149.11393 -142.89101 6.22291 2.35397 -143.47291 718.90459
4570.0000 -149.05012 -143.36925 5.68087 2.35874 -143.39899 747.99491
4575.0000 -147.91385 -141.85605 6.05780 2.37510 -143.14549 721.39011
4580.0000 -150.43143 -143.87035 6.56108 2.44065 -142.12960 791.39412
4585.0000 -149.26372 -143.19864 6.06508 2.36261 -143.33897 734.27485
4590.0000 -148.85424 -143.46737 5.38687 2.38260 -143.02915 750.69848
4595.0000 -149.89815 -144.16750 5.73065 2.34089 -143.67562 719.01948
4600.0000 -148.99361 -144.01297 4.98065 2.23647 -145.29360 672.74949
4605.0000 -149.06288 -143.41967 5.64321 2.35763 -143.41616 728.81299
4610.0000 -148.13138 -141.71258 6.41879 2.42468 -142.37717 803.38053
4615.0000 -148.70637 -145.13666 3.56970 2.36625 -143.28258 720.49595
4620.0000 -149.47357 -143.63470 5.83886 2.27964 -144.62467 658.59635
4625.0000 -149.62796 -143.98218 5.64578 2.35565 -143.44679 697.05889
4630.0000 -147.67294 -142.36852 5.30442 2.36288 -143.33475 707.88481
4635.0000 -148.64012 -142.18580 6.45431 2.43822 -142.16731 782.03811
4640.0000 -148.81855 -142.13874 6.67981 2.41752 -142.48814 735.14311
4645.0000 -147.29386 -141.56340 5.73045 2.48681 -141.41441 804.86610
4650.0000 -148.75403 -142.80930 5.94473 2.45281 -141.94127 788.41922
4655.0000 -149.05882 -143.82126 5.23756 2.36413 -143.31535 738.78986
4660.0000 -149.83117 -144.72792 5.10325 2.29192 -144.43433 696.66831
4665.0000 -150.22051 -145.09346 5.12705 2.25969 -144.93379 683.45657
4670.0000 -148.94111 -142.93001 6.01110 2.35172 -143.50778 715.09156
4675.0000 -147.92989 -142.00474 5.92515 2.43943 -142.14851 753.79066
4680.0000 -148.85551 -141.90839 6.94712 2.50553 -141.12432 805.18989
4685.0000 -149.69192 -143.05788 6.63404 2.41379 -142.54587 771.73135
4690.0000 -148.81674 -142.91346 5.90328 2.37370 -143.16707 717.95897
4695.0000 -148.04723 -142.97853 5.06870 2.36588 -143.28834 726.48447
4700.0000 -148.42431 -141.84693 6.57738 2.39730 -142.80148 732.33103
4705.0000 -148.03099 -142.46921 5.56177 2.45037 -141.97910 758.58323
4710.0000 -148.65128 -143.75380 4.89748 2.39086 -142.90119 750.21276
4715.0000 -148.37272 -142.18182 6.19090 2.41457 -142.53386 741.89520
4720.0000 -147.48313 -141.04635 6.43678 2.49773 -141.24508 793.95050
4725.0000 -149.33823 -143.27185 6.06639 2.39504 -142.83640 762.43929
4730.0000 -148.39944 -143.72606 4.67338 2.33785 -143.72263 703.94813
4735.0000 -148.02701 -141.85765 6.16937 2.41122 -142.58577 786.79047
4740.0000 -148.84105 -143.15508 5.68597 2.43453 -142.22446 796.80871
4745.0000 -149.06737 -143.43701 5.63036 2.38023 -143.06591 729.58276
4750.0000 -148.71353 -143.22297 5.49056 2.36872 -143.24436 739.67299
FREEZING PROCESS: loop number 20 T-loop= 713.00000000000000
main_MD> interactions number 20 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46008 -0.73801 2.56118
force_rgl> df(natom) -0.42788 3.02058 0.87335
4755.0000 -149.20890 -142.47495 6.73395 2.39917 -142.77238 746.41828
4760.0000 -149.19678 -143.61405 5.58273 2.39823 -142.78700 759.46355
4765.0000 -149.41924 -144.28179 5.13745 2.33726 -143.73175 698.41945
4770.0000 -147.70038 -142.30662 5.39376 2.41113 -142.58713 723.99521
4775.0000 -150.09924 -144.14449 5.95475 2.35811 -143.40866 721.26715
4780.0000 -149.07489 -142.63965 6.43523 2.35570 -143.44601 726.13444
4785.0000 -148.31226 -143.08172 5.23054 2.40739 -142.64501 757.29718
4790.0000 -149.44156 -143.56063 5.88093 2.35312 -143.48598 753.92704
4795.0000 -149.69905 -143.85624 5.84281 2.32654 -143.89785 693.83905
4800.0000 -148.67932 -143.48897 5.19035 2.34859 -143.55618 733.35015
4805.0000 -149.66791 -143.81848 5.84943 2.34772 -143.56976 710.80406
4810.0000 -149.61625 -144.09301 5.52324 2.37319 -143.17500 758.99796
4815.0000 -151.06826 -145.37632 5.69194 2.25100 -145.06848 665.37574
4820.0000 -149.79241 -144.22055 5.57186 2.29309 -144.41631 697.52063
4825.0000 -150.09705 -143.77782 6.31923 2.33414 -143.78014 719.96631
4830.0000 -147.48685 -142.47646 5.01039 2.39480 -142.84011 726.19683
4835.0000 -149.11053 -142.36208 6.74844 2.39618 -142.81879 732.59966
4840.0000 -149.68545 -143.67660 6.00885 2.36931 -143.23520 738.11068
4845.0000 -149.75950 -143.99453 5.76497 2.34851 -143.55745 742.43084
4850.0000 -150.23285 -143.83275 6.40010 2.35821 -143.40716 740.64325
4855.0000 -149.69592 -143.85390 5.84202 2.32310 -143.95127 708.51628
4860.0000 -148.68114 -143.02200 5.65914 2.34710 -143.57933 718.36542
4865.0000 -149.01488 -143.73253 5.28235 2.35771 -143.41489 721.63810
4870.0000 -149.23545 -142.59720 6.63825 2.40262 -142.71892 768.36090
4875.0000 -148.10527 -142.45600 5.64927 2.39798 -142.79081 719.29779
4880.0000 -149.61798 -143.79439 5.82359 2.38494 -142.99294 779.50293
4885.0000 -149.83268 -143.77311 6.05957 2.32111 -143.98206 713.08273
4890.0000 -150.31436 -143.52259 6.79178 2.34895 -143.55066 735.26128
4895.0000 -149.03439 -143.94547 5.08892 2.33598 -143.75164 730.58389
4900.0000 -149.06569 -142.51056 6.55512 2.34117 -143.67115 702.25689
4905.0000 -149.71690 -143.60473 6.11217 2.36353 -143.32477 721.60501
4910.0000 -148.74569 -143.22099 5.52470 2.33140 -143.82260 708.35447
4915.0000 -150.13202 -144.67422 5.45780 2.35697 -143.42635 725.39328
4920.0000 -148.81846 -143.28914 5.52932 2.32536 -143.91623 723.39077
4925.0000 -149.22464 -143.63472 5.58992 2.32286 -143.95501 719.19890
4930.0000 -149.30940 -144.53153 4.77787 2.29720 -144.35263 671.76581
4935.0000 -149.52148 -143.58601 5.93547 2.34580 -143.59945 735.44557
4940.0000 -149.59052 -142.85396 6.73656 2.36223 -143.34493 745.05477
4945.0000 -148.65984 -143.54805 5.11179 2.35590 -143.44294 740.19680
4950.0000 -150.23051 -145.50368 4.72683 2.26020 -144.92598 636.22368
4955.0000 -149.85642 -144.99742 4.85900 2.24330 -145.18777 636.07778
4960.0000 -149.49887 -144.38569 5.11318 2.31704 -144.04512 708.05645
4965.0000 -148.25031 -141.56346 6.68686 2.37941 -143.07868 729.30420
4970.0000 -148.33132 -143.76607 4.56525 2.38129 -143.04949 737.78600
4975.0000 -149.92089 -144.71457 5.20632 2.30907 -144.16867 669.92613
4980.0000 -150.56947 -144.87455 5.69493 2.26972 -144.77845 648.59624
4985.0000 -150.83014 -146.32093 4.50921 2.20304 -145.81162 602.78935
4990.0000 -151.30672 -146.97069 4.33604 2.18640 -146.06953 617.06000
4995.0000 -149.51422 -144.01876 5.49545 2.26525 -144.84762 688.30964
5000.0000 -150.40273 -144.86374 5.53899 2.28387 -144.55919 678.49139
FREEZING PROCESS: loop number 21 T-loop= 688.00000000000000
main_MD> interactions number 21 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.17504 -0.50310 1.85435
force_rgl> df(natom) 1.08639 -0.07772 1.13285
5005.0000 -149.55352 -143.52916 6.02435 2.31330 -144.10315 706.24560
5010.0000 -149.41926 -144.11279 5.30648 2.30960 -144.16041 716.25868
5015.0000 -148.60679 -141.75318 6.85361 2.39087 -142.90107 753.98511
5020.0000 -150.26279 -145.12721 5.13558 2.32638 -143.90039 691.51611
5025.0000 -149.98019 -145.10688 4.87331 2.21677 -145.59895 630.19658
5030.0000 -149.90020 -144.74139 5.15881 2.25284 -145.04002 619.73723
5035.0000 -150.56985 -144.99099 5.57886 2.23692 -145.28669 648.48963
5040.0000 -148.90598 -143.07453 5.83145 2.28327 -144.56849 678.49452
5045.0000 -148.69225 -142.82515 5.86710 2.37482 -143.14984 758.17941
5050.0000 -149.04574 -143.65285 5.39289 2.35698 -143.42615 741.23660
5055.0000 -150.76121 -145.46900 5.29221 2.27281 -144.73051 660.19392
5060.0000 -149.55551 -145.07568 4.47983 2.22421 -145.48359 628.75181
5065.0000 -149.10047 -143.29567 5.80481 2.30623 -144.21269 669.05780
5070.0000 -150.61073 -144.19498 6.41574 2.32288 -143.95468 716.23049
5075.0000 -150.18641 -145.38000 4.80641 2.26424 -144.86336 664.02493
5080.0000 -149.19768 -143.70183 5.49585 2.26937 -144.78375 645.91897
5085.0000 -149.43430 -144.32507 5.10923 2.30319 -144.25970 698.45525
5090.0000 -150.55146 -144.45180 6.09966 2.30150 -144.28600 715.49956
5095.0000 -150.76461 -145.11011 5.65450 2.27039 -144.76797 690.57306
5100.0000 -150.26391 -144.95064 5.31328 2.23826 -145.26584 661.64168
5105.0000 -149.18536 -143.00547 6.17989 2.33245 -143.80629 705.70673
5110.0000 -149.41168 -144.21351 5.19817 2.38393 -143.00857 727.65814
5115.0000 -148.20769 -142.28492 5.92276 2.35985 -143.38176 740.86899
5120.0000 -149.02467 -143.13101 5.89366 2.37903 -143.08460 733.90448
5125.0000 -149.13149 -144.17023 4.96126 2.36338 -143.32711 703.12306
5130.0000 -150.30016 -144.92013 5.38003 2.22965 -145.39931 620.18928
5135.0000 -149.99670 -145.21537 4.78133 2.22012 -145.54698 651.33915
5140.0000 -150.17892 -144.95844 5.22048 2.26173 -144.90226 662.85102
5145.0000 -150.05008 -144.46682 5.58326 2.22844 -145.41800 621.03647
5150.0000 -149.75195 -143.99769 5.75425 2.30735 -144.19535 710.36255
5155.0000 -150.48183 -145.53756 4.94428 2.25488 -145.00838 642.00286
5160.0000 -150.13570 -144.97275 5.16295 2.25044 -145.07711 679.54212
5165.0000 -150.92930 -145.73478 5.19451 2.24202 -145.20763 655.09271
5170.0000 -150.31249 -144.98109 5.33140 2.23015 -145.39152 634.34078
5175.0000 -149.82246 -144.45680 5.36566 2.27343 -144.72098 655.15972
5180.0000 -150.23191 -144.71639 5.51552 2.25540 -145.00023 640.51958
5185.0000 -150.12156 -144.41664 5.70491 2.32813 -143.87321 712.97085
5190.0000 -149.60065 -144.18973 5.41092 2.30064 -144.29926 690.44615
5195.0000 -148.27789 -142.86063 5.41725 2.34770 -143.57004 715.30202
5200.0000 -150.70654 -145.24959 5.45694 2.31440 -144.08596 667.81000
5205.0000 -149.73177 -145.34409 4.38767 2.24405 -145.17624 656.42671
5210.0000 -150.40768 -144.75546 5.65223 2.25934 -144.93917 678.65067
5215.0000 -151.14837 -145.83626 5.31210 2.24370 -145.18166 651.44843
5220.0000 -150.03981 -145.30576 4.73405 2.23631 -145.29612 666.37090
5225.0000 -150.34146 -146.30451 4.03695 2.23238 -145.35708 659.15662
5230.0000 -150.26955 -144.89816 5.37138 2.29119 -144.44566 657.52351
5235.0000 -149.92429 -144.07636 5.84793 2.26607 -144.83499 659.90477
5240.0000 -148.46680 -143.42686 5.03994 2.31888 -144.01661 692.58969
5245.0000 -149.25783 -144.26198 4.99585 2.31161 -144.12933 705.54704
5250.0000 -148.60358 -143.05851 5.54506 2.30349 -144.25503 672.43526
FREEZING PROCESS: loop number 22 T-loop= 663.00000000000000
main_MD> interactions number 22 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55354 -2.91729 -4.88767
force_rgl> df(natom) -1.96994 1.53994 2.00647
5255.0000 -149.23493 -143.66010 5.57483 2.36853 -143.24730 710.60847
5260.0000 -148.98577 -143.19172 5.79405 2.36080 -143.36704 715.36973
5265.0000 -149.74477 -144.29107 5.45369 2.36916 -143.23754 764.59951
5270.0000 -150.08999 -144.09384 5.99615 2.28883 -144.48223 698.66209
5275.0000 -150.14873 -145.04954 5.09919 2.23784 -145.27238 659.66574
5280.0000 -149.53096 -144.04556 5.48540 2.24602 -145.14560 648.84881
5285.0000 -150.60528 -144.63129 5.97400 2.30931 -144.16496 684.00363
5290.0000 -150.15141 -144.56316 5.58825 2.26321 -144.87934 669.44142
5295.0000 -150.10365 -144.64661 5.45704 2.27854 -144.64178 653.65079
5300.0000 -150.11483 -144.60201 5.51282 2.28805 -144.49433 688.08192
5305.0000 -151.18140 -146.12878 5.05262 2.22251 -145.50998 655.37281
5310.0000 -151.20417 -146.23361 4.97057 2.17891 -146.18551 625.70959
5315.0000 -151.32837 -147.15499 4.17338 2.16827 -146.35045 604.13675
5320.0000 -151.04446 -145.97598 5.06848 2.20962 -145.70975 635.60095
5325.0000 -149.96760 -144.15771 5.80989 2.23327 -145.34326 633.77072
5330.0000 -149.83703 -145.23148 4.60555 2.23334 -145.34212 642.32338
5335.0000 -149.28204 -144.36220 4.91985 2.29949 -144.31702 682.91580
5340.0000 -150.17177 -144.77986 5.39191 2.28335 -144.56711 664.24750
5345.0000 -150.80377 -145.31832 5.48545 2.24610 -145.14437 653.69288
5350.0000 -150.86424 -145.12555 5.73869 2.23994 -145.23990 648.64384
5355.0000 -149.71344 -144.85278 4.86066 2.24142 -145.21686 663.97346
5360.0000 -150.55889 -144.23939 6.31950 2.25618 -144.98828 664.28755
5365.0000 -150.23931 -145.67323 4.56608 2.20958 -145.71036 631.45666
5370.0000 -150.70383 -145.11627 5.58757 2.21804 -145.57918 644.77705
5375.0000 -149.57683 -144.81654 4.76029 2.23096 -145.37903 655.32298
5380.0000 -149.34834 -144.37416 4.97418 2.25416 -145.01948 621.45866
5385.0000 -148.90485 -143.77940 5.12546 2.33756 -143.72721 705.99384
5390.0000 -149.32939 -143.81848 5.51092 2.36029 -143.37495 745.78519
5395.0000 -149.44849 -143.89521 5.55328 2.33284 -143.80023 708.25264
5400.0000 -150.04685 -145.43355 4.61330 2.28897 -144.48015 683.15574
5405.0000 -149.71480 -144.10118 5.61362 2.22463 -145.47708 646.38219
5410.0000 -149.53701 -143.88730 5.64971 2.32755 -143.88223 709.32039
5415.0000 -148.91757 -143.14878 5.76879 2.35157 -143.51012 715.26647
5420.0000 -150.36686 -145.79867 4.56819 2.29018 -144.46131 661.79405
5425.0000 -150.54880 -145.78432 4.76448 2.21815 -145.57759 613.99194
5430.0000 -148.89174 -143.49273 5.39901 2.28055 -144.61060 671.49428
5435.0000 -150.84345 -144.95524 5.88821 2.27976 -144.62280 666.35329
5440.0000 -149.64207 -144.81270 4.82937 2.27952 -144.62646 703.85184
5445.0000 -150.00038 -144.95747 5.04291 2.30810 -144.18359 709.14579
5450.0000 -151.66595 -146.53686 5.12909 2.20516 -145.77883 645.26618
5455.0000 -150.59470 -145.96692 4.62778 2.17240 -146.28653 599.83803
5460.0000 -150.68841 -146.26562 4.42279 2.17039 -146.31767 601.04337
5465.0000 -151.38836 -146.55306 4.83530 2.17922 -146.18086 587.26324
5470.0000 -150.86285 -145.84352 5.01933 2.19391 -145.95314 619.01455
5475.0000 -150.23432 -144.50526 5.72907 2.21313 -145.65533 604.39402
5480.0000 -149.75295 -145.09758 4.65538 2.25249 -145.04543 633.79837
5485.0000 -150.31099 -145.60801 4.70298 2.24641 -145.13965 645.90534
5490.0000 -148.46356 -143.73147 4.73208 2.24394 -145.17781 629.34278
5495.0000 -149.75000 -145.01052 4.73948 2.30320 -144.25956 690.63057
5500.0000 -150.52491 -145.60601 4.91890 2.25044 -145.07715 631.22490
FREEZING PROCESS: loop number 23 T-loop= 638.00000000000000
main_MD> interactions number 23 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71716 2.73605 1.06999
force_rgl> df(natom) -2.09673 2.14854 0.21032
5505.0000 -150.70092 -145.73199 4.96893 2.18854 -146.03631 602.09829
5510.0000 -150.91801 -144.83094 6.08707 2.23722 -145.28209 663.60280
5515.0000 -149.97158 -146.05518 3.91640 2.21316 -145.65492 637.70361
5520.0000 -151.18236 -147.00292 4.17944 2.16910 -146.33761 599.78391
5525.0000 -151.31105 -146.72056 4.59048 2.12227 -147.06321 605.00114
5530.0000 -151.99338 -147.33184 4.66155 2.14396 -146.72721 606.42796
5535.0000 -150.94422 -146.97175 3.97247 2.12306 -147.05105 584.54828
5540.0000 -150.63538 -145.91843 4.71695 2.15444 -146.56473 598.32863
5545.0000 -150.98549 -145.51399 5.47150 2.19034 -146.00846 581.00551
5550.0000 -151.55715 -146.40941 5.14774 2.20030 -145.85418 631.16322
5555.0000 -151.00540 -145.66632 5.33908 2.18375 -146.11063 629.51264
5560.0000 -151.46354 -146.28296 5.18059 2.19029 -146.00920 658.79596
5565.0000 -150.20113 -145.28357 4.91756 2.22633 -145.45075 657.59936
5570.0000 -152.32905 -147.94915 4.37990 2.16020 -146.47554 602.57670
5575.0000 -151.49034 -148.08811 3.40223 2.07800 -147.74934 537.40027
5580.0000 -151.07234 -146.12542 4.94692 2.15610 -146.53899 585.71732
5585.0000 -150.53095 -145.56797 4.96298 2.19380 -145.95478 608.59675
5590.0000 -151.40228 -146.91557 4.48671 2.16377 -146.42018 570.32844
5595.0000 -150.26433 -146.26152 4.00281 2.17040 -146.31749 569.15094
5600.0000 -150.37264 -144.97176 5.40087 2.24937 -145.09379 646.00304
5605.0000 -149.24263 -145.12406 4.11857 2.21928 -145.56008 636.76559
5610.0000 -150.03913 -144.92373 5.11541 2.26578 -144.83942 639.93041
5615.0000 -150.17934 -144.95831 5.22103 2.24131 -145.21871 627.65073
5620.0000 -150.10060 -145.83982 4.26078 2.24993 -145.08509 634.81994
5625.0000 -150.47034 -145.05962 5.41072 2.25192 -145.05426 635.41997
5630.0000 -150.92902 -145.71500 5.21402 2.20128 -145.83899 610.84164
5635.0000 -150.87564 -145.96233 4.91331 2.17954 -146.17587 596.49390
5640.0000 -150.59102 -145.91065 4.68037 2.21099 -145.68854 615.97795
5645.0000 -150.15687 -144.74966 5.40721 2.20834 -145.72951 615.09389
5650.0000 -150.59172 -145.74084 4.85088 2.24983 -145.08654 637.71105
5655.0000 -149.30340 -143.92175 5.38165 2.27625 -144.67723 670.41124
5660.0000 -148.93782 -143.97622 4.96161 2.33734 -143.73054 688.95985
5665.0000 -150.70756 -145.64012 5.06744 2.24899 -145.09966 653.30102
5670.0000 -151.23355 -145.86333 5.37022 2.19398 -145.95203 622.12394
5675.0000 -149.27099 -144.81764 4.45335 2.23977 -145.24247 617.11550
5680.0000 -151.61866 -145.82976 5.78891 2.22553 -145.46321 623.79612
5685.0000 -150.36487 -144.99932 5.36555 2.20919 -145.71634 623.87442
5690.0000 -150.22367 -144.83731 5.38636 2.25169 -145.05786 655.17237
5695.0000 -149.70911 -143.59967 6.10943 2.27492 -144.69788 655.54988
5700.0000 -149.96475 -144.54813 5.41662 2.27495 -144.69741 653.44046
5705.0000 -150.51145 -144.85950 5.65195 2.26920 -144.78643 669.31691
5710.0000 -150.07092 -145.17631 4.89461 2.26824 -144.80139 668.33886
5715.0000 -149.57559 -144.71075 4.86483 2.24215 -145.20564 655.77182
5720.0000 -149.92547 -145.06818 4.85729 2.25337 -145.03175 662.73080
5725.0000 -150.69922 -146.16940 4.52982 2.24985 -145.08627 635.14956
5730.0000 -151.34132 -146.94294 4.39838 2.20679 -145.75351 620.62503
5735.0000 -150.06672 -144.53638 5.53035 2.21722 -145.59189 656.05564
5740.0000 -151.01182 -146.02382 4.98801 2.22309 -145.50093 631.23145
5745.0000 -150.31543 -145.38812 4.92731 2.22353 -145.49411 623.54913
5750.0000 -150.69690 -145.95349 4.74341 2.20237 -145.82210 604.30884
FREEZING PROCESS: loop number 24 T-loop= 613.00000000000000
main_MD> interactions number 24 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45147 0.26016 -1.35980
force_rgl> df(natom) -2.52932 0.40176 0.36450
5755.0000 -151.40879 -146.69343 4.71536 2.16222 -146.44424 573.48134
5760.0000 -151.13394 -146.14768 4.98626 2.16828 -146.35032 612.52153
5765.0000 -150.49000 -145.64144 4.84856 2.17732 -146.21025 613.81732
5770.0000 -151.13569 -145.96338 5.17232 2.18474 -146.09520 623.82701
5775.0000 -150.66948 -146.09419 4.57529 2.15624 -146.53684 598.35131
5780.0000 -150.25905 -145.49812 4.76093 2.21888 -145.56616 623.96089
5785.0000 -150.29050 -144.65106 5.63944 2.23797 -145.27041 660.32288
5790.0000 -148.09462 -143.07735 5.01727 2.30793 -144.18627 704.11146
5795.0000 -151.16221 -145.63800 5.52422 2.29732 -144.35064 688.98372
5800.0000 -150.68354 -145.84905 4.83448 2.19463 -145.94198 635.08747
5805.0000 -151.25808 -146.63888 4.61920 2.15583 -146.54330 586.37207
5810.0000 -151.53430 -146.41706 5.11724 2.13088 -146.92982 550.58207
5815.0000 -150.19782 -145.03211 5.16571 2.24104 -145.22286 639.80962
5820.0000 -150.26541 -145.76235 4.50306 2.24054 -145.23051 617.61710
5825.0000 -150.74142 -145.31081 5.43060 2.23935 -145.24906 653.70875
5830.0000 -151.02579 -146.11855 4.90724 2.22583 -145.45851 644.79685
5835.0000 -151.77145 -147.51043 4.26102 2.14412 -146.72468 588.38334
5840.0000 -152.53314 -146.62105 5.91208 2.11575 -147.16425 581.83674
5845.0000 -149.85726 -145.24237 4.61489 2.16460 -146.40732 627.31837
5850.0000 -150.49344 -145.91676 4.57667 2.19249 -145.97510 653.86251
5855.0000 -150.16588 -145.40290 4.76298 2.18159 -146.14401 619.87270
5860.0000 -150.79303 -145.94028 4.85275 2.20140 -145.83703 619.31485
5865.0000 -150.69099 -146.13889 4.55210 2.18844 -146.03788 588.61551
5870.0000 -151.57577 -146.63066 4.94512 2.16828 -146.35034 584.44368
5875.0000 -151.21562 -146.83670 4.37892 2.16419 -146.41376 601.16447
5880.0000 -150.42494 -145.44055 4.98439 2.20360 -145.80297 596.47942
5885.0000 -150.56107 -145.82450 4.73657 2.18910 -146.02764 614.13055
5890.0000 -150.72888 -146.48107 4.24781 2.16176 -146.45132 574.21433
5895.0000 -150.86616 -146.46957 4.39659 2.15598 -146.54093 575.04296
5900.0000 -150.22759 -145.37649 4.85110 2.15211 -146.60086 598.92482
5905.0000 -150.70711 -145.84396 4.86315 2.22226 -145.51379 625.05292
5910.0000 -150.89631 -145.61575 5.28056 2.20123 -145.83972 622.56165
5915.0000 -149.51994 -145.43038 4.08956 2.20801 -145.73470 618.23500
5920.0000 -150.86369 -145.33066 5.53302 2.29290 -144.41926 703.87447
5925.0000 -148.75321 -144.37675 4.37646 2.27535 -144.69109 666.13823
5930.0000 -150.29862 -144.96689 5.33173 2.26932 -144.78455 658.05174
5935.0000 -150.24989 -145.39282 4.85706 2.22596 -145.45648 636.68190
5940.0000 -150.82815 -145.68990 5.13825 2.19367 -145.95691 610.87026
5945.0000 -150.25471 -145.13922 5.11549 2.23443 -145.32522 651.80784
5950.0000 -150.58082 -145.49311 5.08770 2.26352 -144.87455 659.06506
5955.0000 -152.26236 -146.72025 5.54211 2.18328 -146.11789 613.00569
5960.0000 -150.60002 -146.52754 4.07247 2.18096 -146.15381 616.20935
5965.0000 -151.62203 -147.22816 4.39387 2.10929 -147.26438 558.24165
5970.0000 -151.63329 -146.92632 4.70697 2.15047 -146.62635 589.37335
5975.0000 -151.75064 -146.53119 5.21945 2.17411 -146.25994 589.77717
5980.0000 -150.24161 -145.06497 5.17664 2.19055 -146.00521 593.23728
5985.0000 -149.97918 -144.89182 5.08736 2.27913 -144.63256 675.19762
5990.0000 -151.02983 -146.27196 4.75787 2.20761 -145.74089 629.78067
5995.0000 -151.24976 -146.16344 5.08633 2.16136 -146.45761 602.15099
6000.0000 -150.45697 -145.88925 4.56772 2.20387 -145.79878 626.28827
FREEZING PROCESS: loop number 25 T-loop= 588.00000000000000
main_MD> interactions number 25 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71574 -4.61756 0.47740
force_rgl> df(natom) 0.06635 0.69514 1.01068
6005.0000 -150.90444 -146.16270 4.74174 2.18416 -146.10430 603.74566
6010.0000 -150.55406 -145.80113 4.75293 2.20894 -145.72022 647.56025
6015.0000 -151.20469 -147.12598 4.07870 2.14928 -146.64480 560.85296
6020.0000 -151.52091 -147.02398 4.49693 2.15307 -146.58595 578.85391
6025.0000 -151.41528 -147.07493 4.34035 2.12346 -147.04483 570.09935
6030.0000 -150.92751 -146.68356 4.24395 2.15223 -146.59909 624.76706
6035.0000 -150.89248 -146.40482 4.48766 2.19886 -145.87637 613.51577
6040.0000 -151.71568 -147.04220 4.67347 2.11778 -147.13281 550.83589
6045.0000 -152.73315 -147.79751 4.93564 2.08704 -147.60915 534.24154
6050.0000 -150.63040 -146.41391 4.21649 2.15006 -146.63273 593.94002
6055.0000 -151.34311 -147.10363 4.23947 2.14570 -146.70017 588.24580
6060.0000 -150.21384 -146.16099 4.05285 2.13898 -146.80427 586.32956
6065.0000 -151.64341 -147.16413 4.47929 2.17408 -146.26049 596.09382
6070.0000 -151.62756 -146.99390 4.63365 2.11492 -147.17714 591.45053
6075.0000 -150.30688 -145.71013 4.59674 2.20334 -145.80696 640.58164
6080.0000 -151.60885 -147.21337 4.39548 2.11292 -147.20819 570.25082
6085.0000 -150.54021 -146.29601 4.24420 2.16508 -146.39995 605.61706
6090.0000 -151.00152 -146.38211 4.61941 2.15854 -146.50126 578.37158
6095.0000 -151.47468 -146.59785 4.87683 2.16609 -146.38428 583.59372
6100.0000 -150.24504 -144.58161 5.66343 2.24716 -145.12806 632.06249
6105.0000 -150.21915 -145.14340 5.07575 2.24583 -145.14863 640.51464
6110.0000 -151.71100 -146.55963 5.15137 2.18930 -146.02455 605.60876
6115.0000 -151.09197 -147.02313 4.06885 2.14090 -146.77453 543.26332
6120.0000 -151.03630 -147.07972 3.95657 2.14784 -146.66706 582.69367
6125.0000 -150.83715 -146.37553 4.46161 2.13792 -146.82083 585.43516
6130.0000 -151.53045 -147.47709 4.05336 2.09741 -147.44845 544.28838
6135.0000 -152.23256 -147.72892 4.50364 2.08736 -147.60424 540.58072
6140.0000 -151.24281 -146.81086 4.43195 2.12009 -147.09709 554.12346
6145.0000 -152.02096 -147.86166 4.15930 2.11931 -147.10911 573.09981
6150.0000 -152.09313 -147.87013 4.22299 2.05735 -148.06925 512.82022
6155.0000 -151.41284 -146.41971 4.99313 2.13808 -146.81825 570.67691
6160.0000 -150.95729 -147.33740 3.61989 2.14121 -146.76980 561.36176
6165.0000 -151.22739 -146.81628 4.41111 2.11504 -147.17534 540.63226
6170.0000 -150.68176 -145.80723 4.87453 2.18175 -146.14152 603.26587
6175.0000 -150.86342 -145.66035 5.20306 2.21252 -145.66484 616.77629
6180.0000 -150.58610 -145.63078 4.95532 2.20909 -145.71784 644.78892
6185.0000 -151.67781 -147.00426 4.67355 2.19063 -146.00395 619.37445
6190.0000 -151.45043 -147.61471 3.83572 2.13115 -146.92572 556.67663
6195.0000 -152.81834 -147.75231 5.06602 2.08466 -147.64604 541.70998
6200.0000 -151.44960 -146.50693 4.94267 2.11332 -147.20191 569.82605
6205.0000 -150.67078 -145.40288 5.26790 2.19209 -145.98135 622.48339
6210.0000 -149.16777 -144.69524 4.47253 2.26234 -144.89274 651.55100
6215.0000 -150.19465 -144.71742 5.47723 2.31778 -144.03360 720.14732
6220.0000 -151.45856 -146.28241 5.17615 2.20971 -145.70826 621.43774
6225.0000 -151.19650 -146.73064 4.46587 2.17792 -146.20090 593.15983
6230.0000 -150.92568 -146.11186 4.81382 2.15513 -146.55409 560.39862
6235.0000 -151.50452 -146.62901 4.87551 2.17348 -146.26981 584.37517
6240.0000 -151.27100 -146.81524 4.45575 2.17151 -146.30026 614.69464
6245.0000 -151.94823 -146.61579 5.33245 2.14321 -146.73879 587.23937
6250.0000 -152.02634 -147.67610 4.35023 2.15399 -146.57175 599.46967
FREEZING PROCESS: loop number 26 T-loop= 563.00000000000000
main_MD> interactions number 26 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86264 -1.69661 0.37315
force_rgl> df(natom) 0.22648 -0.32293 -0.90948
6255.0000 -152.16671 -147.21243 4.95428 2.05441 -148.11483 522.07086
6260.0000 -152.34722 -148.38522 3.96199 2.09728 -147.45050 564.67008
6265.0000 -151.31915 -147.25606 4.06309 2.08643 -147.61870 558.61696
6270.0000 -152.05253 -146.72141 5.33112 2.13421 -146.87823 632.66261
6275.0000 -152.16566 -147.56705 4.59861 2.09696 -147.45546 582.68888
6280.0000 -152.01761 -147.28712 4.73048 2.12370 -147.04116 585.37392
6285.0000 -151.77306 -147.15160 4.62146 2.12262 -147.05793 579.61481
6290.0000 -151.60233 -146.46342 5.13891 2.12521 -147.01773 577.26448
6295.0000 -151.07174 -146.29829 4.77345 2.13865 -146.80944 589.47970
6300.0000 -151.79364 -146.24126 5.55238 2.18944 -146.02236 655.11355
6305.0000 -151.40241 -147.23729 4.16512 2.15102 -146.61779 599.56590
6310.0000 -151.42272 -147.46567 3.95705 2.07560 -147.78654 526.61304
6315.0000 -151.22194 -146.76729 4.45465 2.11766 -147.13466 562.40822
6320.0000 -150.99589 -146.09230 4.90360 2.11814 -147.12725 571.28928
6325.0000 -152.14408 -146.43071 5.71337 2.15376 -146.57531 612.80780
6330.0000 -151.21705 -147.53150 3.68555 2.13975 -146.79237 597.29560
6335.0000 -152.32355 -148.05404 4.26951 2.10514 -147.32867 556.25590
6340.0000 -151.39305 -147.03996 4.35309 2.09377 -147.50491 544.98265
6345.0000 -151.24255 -146.90229 4.34026 2.12369 -147.04130 565.49720
6350.0000 -152.25650 -147.14240 5.11410 2.11845 -147.12252 561.89354
6355.0000 -152.96050 -148.20855 4.75195 2.05208 -148.15098 542.65732
6360.0000 -151.37755 -147.11329 4.26426 2.04462 -148.26659 533.73378
6365.0000 -152.92284 -148.68797 4.23487 2.07240 -147.83607 566.67242
6370.0000 -152.37133 -148.01536 4.35597 2.01476 -148.72928 525.48553
6375.0000 -152.92685 -148.39725 4.52960 2.04596 -148.24575 545.39831
6380.0000 -151.92244 -148.05970 3.86274 2.02813 -148.52201 536.53354
6385.0000 -153.62073 -149.26505 4.35569 2.01854 -148.67074 539.18018
6390.0000 -151.62258 -147.74547 3.87711 2.05342 -148.13018 579.37036
6395.0000 -151.73846 -146.77671 4.96175 2.09456 -147.49271 606.60398
6400.0000 -150.76177 -145.68729 5.07448 2.14115 -146.77070 637.13117
6405.0000 -152.08072 -147.25278 4.82794 2.13086 -146.93021 564.97884
6410.0000 -151.78379 -146.75029 5.03350 2.13004 -146.94282 565.75743
6415.0000 -151.68660 -147.31381 4.37279 2.12604 -147.00489 574.70619
6420.0000 -150.85237 -146.55898 4.29338 2.13548 -146.85858 580.63085
6425.0000 -151.21558 -146.83586 4.37972 2.13635 -146.84514 583.05864
6430.0000 -152.23882 -147.59295 4.64587 2.10771 -147.28897 549.37374
6435.0000 -151.58542 -147.14300 4.44242 2.09700 -147.45494 554.80158
6440.0000 -150.92564 -146.54176 4.38388 2.12027 -147.09421 539.75509
6445.0000 -151.53308 -147.15349 4.37959 2.15762 -146.51556 582.72679
6450.0000 -151.69167 -147.01502 4.67665 2.09110 -147.54627 527.10832
6455.0000 -150.79270 -147.30784 3.48487 2.13063 -146.93376 566.52687
6460.0000 -152.27702 -147.49193 4.78509 2.08828 -147.59001 525.28713
6465.0000 -150.48796 -146.45918 4.02878 2.12193 -147.06853 548.69739
6470.0000 -152.02798 -146.82244 5.20554 2.14700 -146.68009 574.50116
6475.0000 -152.42942 -147.09264 5.33678 2.09311 -147.51518 549.81160
6480.0000 -151.31693 -147.80305 3.51389 2.08578 -147.62881 530.63672
6485.0000 -151.60680 -147.83375 3.77305 2.07638 -147.77443 528.38657
6490.0000 -151.21944 -147.60735 3.61209 2.08765 -147.59970 554.82740
6495.0000 -151.51030 -147.70341 3.80689 2.11611 -147.15869 568.14718
6500.0000 -152.11481 -148.25069 3.86412 2.05797 -148.05966 511.08770
FREEZING PROCESS: loop number 27 T-loop= 538.00000000000000
main_MD> interactions number 27 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43506 1.24207 0.31338
force_rgl> df(natom) -1.82955 1.78940 -1.17931
6505.0000 -152.60210 -148.69252 3.90958 2.02621 -148.55187 499.84587
6510.0000 -152.23715 -148.76181 3.47533 2.00096 -148.94308 472.69243
6515.0000 -151.94835 -147.58696 4.36140 2.03498 -148.41597 499.51462
6520.0000 -152.24286 -148.02295 4.21991 2.06489 -147.95247 523.59466
6525.0000 -152.36484 -147.97785 4.38699 2.08432 -147.65141 536.33321
6530.0000 -151.31800 -147.25144 4.06656 2.05598 -148.09045 508.00074
6535.0000 -150.94195 -147.18718 3.75476 2.13024 -146.93977 560.24070
6540.0000 -151.85620 -147.95744 3.89876 2.10549 -147.32331 558.32853
6545.0000 -151.66461 -147.90898 3.75563 2.09054 -147.55501 558.60315
6550.0000 -152.33857 -148.22996 4.10861 2.05943 -148.03711 511.18846
6555.0000 -152.16846 -148.36053 3.80793 2.06855 -147.89573 523.00115
6560.0000 -151.93236 -147.87636 4.05600 2.05304 -148.13612 530.55286
6565.0000 -151.83599 -147.85745 3.97853 2.06403 -147.96572 528.35541
6570.0000 -152.68102 -147.66515 5.01587 2.09290 -147.51847 572.17329
6575.0000 -152.64029 -148.78477 3.85552 2.05681 -148.07767 540.57426
6580.0000 -153.30703 -148.10995 5.19708 2.01452 -148.73299 511.65975
6585.0000 -152.43035 -148.59658 3.83377 2.04914 -148.19647 552.46031
6590.0000 -152.23737 -147.82803 4.40934 2.05578 -148.09358 563.68938
6595.0000 -151.60311 -147.44646 4.15665 2.07019 -147.87033 554.62980
6600.0000 -152.25186 -148.18188 4.06998 2.05821 -148.05594 556.16874
6605.0000 -153.23829 -148.93829 4.30000 2.01523 -148.72201 527.45455
6610.0000 -152.68499 -148.35585 4.32913 2.02419 -148.58321 518.09625
6615.0000 -153.02776 -149.02700 4.00076 2.01952 -148.65545 529.85207
6620.0000 -152.41248 -148.23626 4.17622 2.00811 -148.83232 517.41365
6625.0000 -152.48478 -148.69079 3.79399 2.00831 -148.82922 503.79832
6630.0000 -152.84576 -147.78450 5.06126 2.02441 -148.57968 533.25534
6635.0000 -152.05814 -146.77066 5.28748 2.09106 -147.54696 580.17263
6640.0000 -152.54553 -147.40235 5.14318 2.10259 -147.36821 584.28948
6645.0000 -152.58361 -147.76216 4.82146 2.07628 -147.77587 550.78525
6650.0000 -151.91910 -147.97208 3.94702 2.07259 -147.83305 564.50993
6655.0000 -152.80318 -148.03764 4.76554 2.06614 -147.93301 569.82555
6660.0000 -151.87315 -147.86322 4.00994 2.06833 -147.89912 548.42861
6665.0000 -152.91675 -148.50265 4.41410 2.05295 -148.13753 526.63777
6670.0000 -152.78601 -148.15122 4.63479 2.05094 -148.16861 541.32733
6675.0000 -152.53175 -148.74885 3.78291 2.04230 -148.30243 526.71594
6680.0000 -151.83110 -148.33142 3.49968 2.04668 -148.23466 517.52144
6685.0000 -153.05528 -149.38285 3.67243 2.02733 -148.53453 486.09611
6690.0000 -153.15885 -148.82413 4.33472 1.99629 -149.01542 506.53769
6695.0000 -152.60645 -147.95229 4.65416 2.02172 -148.62142 539.87636
6700.0000 -152.28890 -147.63784 4.65106 2.04602 -148.24478 538.42752
6705.0000 -153.10630 -148.76841 4.33789 2.04107 -148.32155 546.59673
6710.0000 -153.85611 -148.97767 4.87844 2.00753 -148.84137 523.29331
6715.0000 -154.17081 -150.42060 3.75021 1.91326 -150.30207 444.87600
6720.0000 -153.74634 -149.85152 3.89482 1.94062 -149.87806 478.02396
6725.0000 -153.56871 -149.37173 4.19698 1.95914 -149.59112 465.81249
6730.0000 -152.85851 -147.98549 4.87302 2.01795 -148.67980 509.83988
6735.0000 -151.91289 -147.47309 4.43980 2.08372 -147.66059 559.28950
6740.0000 -152.80137 -148.16022 4.64115 2.06142 -148.00621 543.64631
6745.0000 -152.78138 -148.50213 4.27925 2.03375 -148.43501 540.25752
6750.0000 -153.64283 -149.77073 3.87209 1.99427 -149.04677 515.36718
FREEZING PROCESS: loop number 28 T-loop= 513.00000000000000
main_MD> interactions number 28 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41243 2.77530 0.14514
force_rgl> df(natom) 0.20899 0.13197 0.56221
6755.0000 -153.36388 -149.14009 4.22379 1.97600 -149.32987 496.68806
6760.0000 -153.19016 -149.10378 4.08638 1.96503 -149.49989 494.22526
6765.0000 -153.39903 -150.02850 3.37053 1.95502 -149.65493 467.81223
6770.0000 -153.84991 -150.41361 3.43631 1.90483 -150.43274 449.20422
6775.0000 -153.33533 -150.24047 3.09486 1.90680 -150.40227 450.39702
6780.0000 -152.96398 -148.62348 4.34050 1.96609 -149.48347 480.79743
6785.0000 -152.52626 -148.94274 3.58351 2.00300 -148.91147 527.72907
6790.0000 -153.02597 -149.18537 3.84060 1.99170 -149.08660 503.40112
6795.0000 -152.01164 -148.18515 3.82649 2.02765 -148.52952 520.54329
6800.0000 -152.21474 -147.62882 4.58592 2.06654 -147.92692 521.05182
6805.0000 -152.78945 -148.82080 3.96865 2.06505 -147.95000 525.53754
6810.0000 -152.48072 -149.11266 3.36805 2.01876 -148.66722 491.71808
6815.0000 -152.36957 -148.42631 3.94325 2.01688 -148.69637 501.54188
6820.0000 -152.68914 -148.47193 4.21721 2.03277 -148.45010 497.89293
6825.0000 -152.79565 -148.21971 4.57594 2.04879 -148.20195 550.22405
6830.0000 -153.31510 -149.54125 3.77385 1.98763 -149.14970 508.26035
6835.0000 -152.93583 -149.37049 3.56534 1.98631 -149.17012 502.11576
6840.0000 -153.39296 -148.86009 4.53288 1.98400 -149.20592 489.84816
6845.0000 -153.82822 -150.26639 3.56183 1.96031 -149.57308 485.51380
6850.0000 -154.30418 -150.12632 4.17786 1.91760 -150.23488 454.72877
6855.0000 -152.90603 -148.24653 4.65949 1.99190 -149.08345 508.02953
6860.0000 -152.87270 -148.96601 3.90670 1.99350 -149.05878 509.66653
6865.0000 -152.79304 -148.58591 4.20713 2.02887 -148.51059 535.55514
6870.0000 -152.50352 -148.65033 3.85318 2.01115 -148.78516 510.55020
6875.0000 -152.77622 -148.95660 3.81962 1.99361 -149.05703 503.17063
6880.0000 -152.79205 -148.77149 4.02055 2.02677 -148.54312 533.63040
6885.0000 -151.75359 -147.94180 3.81179 2.05285 -148.13904 545.70061
6890.0000 -152.00859 -148.07070 3.93789 2.04395 -148.27687 543.21787
6895.0000 -153.52900 -149.88176 3.64724 2.01114 -148.78531 514.65963
6900.0000 -152.61731 -149.05896 3.55835 1.95726 -149.62027 449.55106
6905.0000 -152.92033 -148.77401 4.14632 2.00816 -148.83160 493.01827
6910.0000 -152.86098 -148.91330 3.94767 1.98589 -149.17670 485.96040
6915.0000 -153.93180 -149.98511 3.94669 1.98451 -149.19806 490.91179
6920.0000 -154.37506 -149.75592 4.61914 1.94946 -149.74120 479.64485
6925.0000 -154.12013 -149.36225 4.75788 1.97740 -149.30818 492.86961
6930.0000 -153.15663 -149.61431 3.54232 1.96844 -149.44710 487.29117
6935.0000 -152.72504 -148.12175 4.60328 1.99978 -148.96142 503.52162
6940.0000 -152.56247 -148.41672 4.14575 2.02694 -148.54054 525.38905
6945.0000 -152.76374 -149.46424 3.29950 2.01910 -148.66202 528.11277
6950.0000 -153.77468 -149.39202 4.38267 2.00624 -148.86129 515.57600
6955.0000 -153.76962 -149.85292 3.91670 1.96437 -149.51006 473.33163
6960.0000 -153.63934 -149.00719 4.63215 1.96484 -149.50276 478.66517
6965.0000 -152.78049 -147.97104 4.80945 2.01365 -148.74652 533.20371
6970.0000 -153.37829 -149.48463 3.89366 2.00790 -148.83553 524.30734
6975.0000 -153.28544 -149.44237 3.84307 1.98961 -149.11901 513.35183
6980.0000 -153.26074 -149.04332 4.21742 1.98979 -149.11625 524.16117
6985.0000 -153.59881 -149.80751 3.79130 1.96930 -149.43373 491.49023
6990.0000 -151.33657 -148.12547 3.21110 2.02444 -148.57919 525.41469
6995.0000 -152.99546 -148.29997 4.69549 2.06611 -147.93356 559.40007
7000.0000 -152.02176 -147.37138 4.65038 2.06601 -147.93509 552.12282
FREEZING PROCESS: loop number 29 T-loop= 488.00000000000000
main_MD> interactions number 29 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42427 1.22949 -1.87176
force_rgl> df(natom) 0.30330 1.65096 -1.45368
7005.0000 -152.10878 -148.19642 3.91236 2.10463 -147.33670 554.54635
7010.0000 -152.32152 -148.70066 3.62087 2.03836 -148.36355 508.38553
7015.0000 -152.78673 -149.12692 3.65981 2.00698 -148.84988 477.85057
7020.0000 -153.32886 -149.02019 4.30867 1.99477 -149.03908 512.34621
7025.0000 -152.50095 -148.63859 3.86236 2.01776 -148.68284 526.60201
7030.0000 -152.40757 -148.68186 3.72572 2.02130 -148.62795 526.45606
7035.0000 -152.94010 -148.60154 4.33856 2.04707 -148.22855 532.68052
7040.0000 -153.11119 -149.47592 3.63527 2.00704 -148.84891 502.47080
7045.0000 -153.54771 -149.86223 3.68548 1.96703 -149.46887 472.07566
7050.0000 -152.71824 -149.34660 3.37164 1.95908 -149.59202 492.75378
7055.0000 -153.45964 -149.60169 3.85795 1.98472 -149.19481 515.73269
7060.0000 -154.33154 -150.67132 3.66022 1.91311 -150.30443 458.82329
7065.0000 -153.45302 -149.19112 4.26190 1.94210 -149.85523 484.59327
7070.0000 -152.81378 -149.57695 3.23684 1.98075 -149.25630 512.01874
7075.0000 -153.51434 -149.61067 3.90367 1.94645 -149.78776 488.39151
7080.0000 -153.74692 -149.63077 4.11615 1.97402 -149.36056 503.43275
7085.0000 -152.90956 -148.71398 4.19558 1.99045 -149.10604 474.72701
7090.0000 -153.29705 -149.73451 3.56254 1.99475 -149.03929 439.68022
7095.0000 -152.72835 -148.82655 3.90180 1.98451 -149.19794 463.23389
7100.0000 -152.48610 -148.23051 4.25560 2.02778 -148.52756 512.41646
7105.0000 -152.45980 -148.02325 4.43655 2.03340 -148.44040 534.16852
7110.0000 -152.50438 -147.63038 4.87400 2.06564 -147.94077 565.19787
7115.0000 -153.03249 -148.86194 4.17055 2.05241 -148.14582 541.41209
7120.0000 -153.18788 -149.35538 3.83251 1.99310 -149.06491 507.18144
7125.0000 -153.90430 -148.74467 5.15962 1.98716 -149.15701 509.09840
7130.0000 -153.60727 -149.34510 4.26216 1.99028 -149.10853 529.81218
7135.0000 -153.92203 -149.66443 4.25760 1.96886 -149.44048 520.57924
7140.0000 -153.83499 -149.83105 4.00394 1.95438 -149.66485 500.19990
7145.0000 -153.40395 -149.59263 3.81132 1.93346 -149.98909 479.27738
7150.0000 -153.73771 -149.85658 3.88113 1.96390 -149.51732 506.92146
7155.0000 -153.75130 -149.64543 4.10587 1.95884 -149.59582 491.52851
7160.0000 -154.02277 -149.96825 4.05453 1.96059 -149.56869 507.36581
7165.0000 -153.53662 -149.87637 3.66025 1.92491 -150.12151 470.24678
7170.0000 -154.00801 -149.78686 4.22115 1.95003 -149.73237 487.67739
7175.0000 -153.85393 -150.21097 3.64296 1.93524 -149.96154 472.07053
7180.0000 -152.79838 -148.66092 4.13746 1.96058 -149.56890 477.58522
7185.0000 -153.36930 -149.60203 3.76727 1.99580 -149.02308 502.81493
7190.0000 -152.96873 -149.53089 3.43784 1.98180 -149.24005 478.58794
7195.0000 -152.77810 -149.56265 3.21544 1.95613 -149.63786 459.48679
7200.0000 -153.11990 -149.35116 3.76874 1.96493 -149.50136 468.96435
7205.0000 -153.32457 -149.15833 4.16624 1.96226 -149.54273 465.82853
7210.0000 -153.05185 -149.80028 3.25158 1.97221 -149.38868 463.97512
7215.0000 -152.49986 -148.51594 3.98392 1.98086 -149.25454 472.14381
7220.0000 -152.59667 -149.48808 3.10859 2.00751 -148.84160 464.26599
7225.0000 -153.67372 -150.37380 3.29992 1.94308 -149.84002 431.19344
7230.0000 -153.79397 -150.17230 3.62167 1.93773 -149.92285 446.48311
7235.0000 -152.55701 -149.29501 3.26200 1.96280 -149.53436 470.04246
7240.0000 -152.53374 -148.40401 4.12973 2.04025 -148.33434 527.37153
7245.0000 -152.38042 -148.84808 3.53233 2.02720 -148.53642 522.08564
7250.0000 -153.65085 -149.27842 4.37243 1.95532 -149.65041 450.56466
FREEZING PROCESS: loop number 30 T-loop= 463.00000000000000
main_MD> interactions number 30 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85973 1.90370 0.94826
force_rgl> df(natom) 2.58878 0.51551 -0.34342
7255.0000 -153.71769 -149.50664 4.21104 1.98048 -149.26038 480.54558
7260.0000 -153.57274 -149.03669 4.53606 1.96001 -149.57773 476.43080
7265.0000 -153.62401 -149.81444 3.80957 1.97271 -149.38082 501.20413
7270.0000 -153.96182 -150.04556 3.91626 1.91937 -150.20738 456.35579
7275.0000 -154.40335 -150.30142 4.10193 1.91038 -150.34681 455.46133
7280.0000 -154.14933 -151.11885 3.03048 1.88233 -150.78135 428.76309
7285.0000 -154.70765 -151.11489 3.59276 1.86091 -151.11330 422.18687
7290.0000 -153.97180 -151.10670 2.86510 1.86464 -151.05560 429.14629
7295.0000 -154.18988 -150.84088 3.34899 1.88425 -150.75164 431.09411
7300.0000 -154.19002 -150.34161 3.84841 1.89142 -150.64054 433.55412
7305.0000 -153.96035 -149.96830 3.99205 1.95471 -149.65986 489.86215
7310.0000 -154.10524 -151.12614 2.97910 1.94166 -149.86197 479.85074
7315.0000 -154.27643 -151.23206 3.04437 1.84707 -151.32779 394.87006
7320.0000 -153.82353 -150.14443 3.67910 1.90127 -150.48793 447.01112
7325.0000 -154.33644 -150.15899 4.17745 1.96796 -149.45445 501.94288
7330.0000 -153.99153 -150.56154 3.42999 1.91880 -150.21621 457.63476
7335.0000 -153.74485 -149.79084 3.95401 1.91326 -150.30206 447.72349
7340.0000 -153.47370 -150.16051 3.31318 1.94855 -149.75519 479.09862
7345.0000 -154.07232 -150.20904 3.86328 1.91556 -150.26649 462.86867
7350.0000 -153.98070 -150.92246 3.05823 1.90227 -150.47237 445.21931
7355.0000 -154.82373 -151.48953 3.33420 1.85932 -151.13791 407.83810
7360.0000 -154.08453 -150.02026 4.06427 1.86372 -151.06977 421.35904
7365.0000 -153.84280 -150.56326 3.27954 1.89855 -150.53005 449.44449
7370.0000 -153.77927 -150.49089 3.28838 1.92209 -150.16535 466.76459
7375.0000 -154.12409 -150.63599 3.48810 1.88200 -150.78657 428.61254
7380.0000 -154.14847 -150.54252 3.60594 1.93426 -149.97674 470.98375
7385.0000 -154.12874 -150.33597 3.79276 1.87270 -150.93056 414.71293
7390.0000 -153.80358 -150.28398 3.51960 1.90569 -150.41934 445.53418
7395.0000 -153.99866 -150.82470 3.17396 1.88464 -150.74555 427.61307
7400.0000 -153.73593 -150.31732 3.41861 1.91241 -150.31522 449.10937
7405.0000 -153.99628 -150.31908 3.67721 1.91515 -150.27288 448.76036
7410.0000 -154.26086 -149.89020 4.37066 1.92139 -150.17606 459.96223
7415.0000 -153.67428 -150.84024 2.83404 1.91472 -150.27943 445.42617
7420.0000 -153.98236 -150.27630 3.70605 1.91994 -150.19860 470.77976
7425.0000 -154.15102 -150.86844 3.28258 1.86834 -150.99812 432.55210
7430.0000 -154.56814 -150.80874 3.75940 1.87251 -150.93361 442.54554
7435.0000 -153.99836 -150.17186 3.82651 1.90504 -150.42943 457.06384
7440.0000 -154.56680 -150.79572 3.77107 1.91180 -150.32479 477.37835
7445.0000 -153.64181 -150.11893 3.52287 1.90472 -150.43440 469.57745
7450.0000 -154.00568 -150.43841 3.56727 1.89475 -150.58896 455.61490
7455.0000 -154.03510 -150.53686 3.49824 1.91200 -150.32160 467.38485
7460.0000 -153.20827 -149.82196 3.38631 1.90516 -150.42766 458.91263
7465.0000 -153.93650 -150.21750 3.71901 1.92584 -150.10714 476.05535
7470.0000 -153.83345 -150.15349 3.67996 1.91689 -150.24579 472.18987
7475.0000 -154.07899 -150.70827 3.37072 1.88666 -150.71422 447.08128
7480.0000 -154.28810 -150.92982 3.35828 1.89197 -150.63208 459.12180
7485.0000 -154.78090 -150.98325 3.79764 1.87118 -150.95410 435.48153
7490.0000 -153.79525 -150.13118 3.66407 1.89693 -150.55511 459.89196
7495.0000 -154.74396 -151.41049 3.33348 1.90630 -150.41003 466.76829
7500.0000 -154.73766 -151.91535 2.82231 1.82797 -151.62380 397.73433
FREEZING PROCESS: loop number 31 T-loop= 438.00000000000000
main_MD> interactions number 31 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12552 0.14565 2.44336
force_rgl> df(natom) -3.23879 2.13441 -2.46117
7505.0000 -154.55014 -151.22652 3.32361 1.85464 -151.21046 429.59467
7510.0000 -155.09083 -152.02618 3.06465 1.83343 -151.53912 407.43876
7515.0000 -154.07160 -151.02877 3.04283 1.83611 -151.49755 406.17582
7520.0000 -154.66978 -150.59058 4.07920 1.87810 -150.84687 452.89594
7525.0000 -154.18323 -150.72435 3.45888 1.89192 -150.63280 450.66540
7530.0000 -154.21912 -150.43174 3.78738 1.90763 -150.38929 471.07189
7535.0000 -154.71587 -151.25348 3.46239 1.90655 -150.40614 474.68299
7540.0000 -155.09401 -151.68854 3.40547 1.85072 -151.27118 417.57528
7545.0000 -154.91814 -151.58925 3.32890 1.83534 -151.50963 404.34580
7550.0000 -154.15868 -150.41770 3.74098 1.87752 -150.85586 446.97921
7555.0000 -154.25858 -150.65370 3.60488 1.91136 -150.33151 468.74122
7560.0000 -154.32584 -150.54813 3.77771 1.88421 -150.75232 429.50531
7565.0000 -154.27106 -151.48863 2.78244 1.84979 -151.28567 399.68706
7570.0000 -154.25369 -150.39608 3.85761 1.86323 -151.07740 413.67621
7575.0000 -154.11796 -150.85269 3.26528 1.91145 -150.33013 445.84260
7580.0000 -153.89174 -150.01834 3.87340 1.90424 -150.44183 444.95850
7585.0000 -154.32598 -150.56685 3.75913 1.93499 -149.96544 475.91111
7590.0000 -154.36794 -151.04422 3.32372 1.89030 -150.65793 433.73809
7595.0000 -153.83187 -150.76706 3.06481 1.85868 -151.14793 406.18177
7600.0000 -154.17821 -150.56111 3.61709 1.87792 -150.84979 411.10489
7605.0000 -154.45694 -151.67113 2.78581 1.88032 -150.81258 411.22513
7610.0000 -153.33271 -150.46201 2.87071 1.85051 -151.27449 393.61503
7615.0000 -153.43585 -149.98154 3.45431 1.91213 -150.31960 440.47536
7620.0000 -153.48163 -149.83552 3.64611 1.93329 -149.99166 467.35700
7625.0000 -154.20385 -150.01834 4.18552 1.94398 -149.82611 479.95174
7630.0000 -154.67750 -151.00859 3.66892 1.90947 -150.36084 463.45803
7635.0000 -154.48621 -151.07965 3.40656 1.86738 -151.01308 438.08971
7640.0000 -154.46062 -151.09390 3.36672 1.87031 -150.96768 442.21531
7645.0000 -153.77571 -151.12987 2.64584 1.87268 -150.93088 436.25821
7650.0000 -154.43201 -150.88164 3.55037 1.85504 -151.20423 426.29287
7655.0000 -154.75397 -150.53506 4.21891 1.87562 -150.88542 440.40432
7660.0000 -153.64834 -150.75437 2.89397 1.86085 -151.11431 426.48362
7665.0000 -154.16501 -150.35807 3.80694 1.91132 -150.33215 475.60364
7670.0000 -154.29377 -150.76731 3.52646 1.88588 -150.72646 453.16656
7675.0000 -153.86805 -150.57773 3.29033 1.87069 -150.96181 441.10956
7680.0000 -154.75893 -151.81642 2.94251 1.87292 -150.92724 441.63710
7685.0000 -154.30220 -151.42948 2.87273 1.83292 -151.54712 399.03258
7690.0000 -154.87343 -151.62937 3.24406 1.84396 -151.37592 411.04975
7695.0000 -153.56108 -149.92983 3.63124 1.86494 -151.05087 432.88836
7700.0000 -154.82839 -150.60330 4.22509 1.91088 -150.33898 471.66194
7705.0000 -154.18658 -150.44301 3.74357 1.90663 -150.40482 469.32261
7710.0000 -154.58319 -151.27060 3.31259 1.88969 -150.66729 465.54582
7715.0000 -154.29316 -150.95515 3.33801 1.85951 -151.13496 430.75307
7720.0000 -153.94771 -150.77506 3.17265 1.87251 -150.93357 417.11082
7725.0000 -154.79976 -151.70718 3.09259 1.87749 -150.85646 447.31503
7730.0000 -154.86001 -151.56607 3.29394 1.82044 -151.74044 397.74137
7735.0000 -154.40729 -150.26701 4.14027 1.87261 -150.93209 443.42458
7740.0000 -153.98118 -150.46114 3.52004 1.92361 -150.14178 484.70331
7745.0000 -154.89648 -150.94177 3.95471 1.90024 -150.50388 465.19214
7750.0000 -154.40601 -151.00159 3.40442 1.87265 -150.93135 440.80087
FREEZING PROCESS: loop number 32 T-loop= 413.00000000000000
main_MD> interactions number 32 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81507 -1.14839 0.06413
force_rgl> df(natom) -1.07887 -0.98062 0.86025
7755.0000 -154.16166 -150.44708 3.71457 1.88420 -150.75243 444.10194
7760.0000 -153.65673 -150.09071 3.56602 1.91780 -150.23177 458.28177
7765.0000 -153.88078 -150.91653 2.96425 1.88763 -150.69930 436.65323
7770.0000 -153.97137 -151.02705 2.94432 1.87730 -150.85933 438.10158
7775.0000 -155.22690 -152.62462 2.60227 1.82067 -151.73690 387.04620
7780.0000 -155.27552 -151.98712 3.28840 1.79425 -152.14634 361.90070
7785.0000 -154.82986 -151.67322 3.15664 1.82292 -151.70203 385.07953
7790.0000 -155.15659 -151.81011 3.34648 1.83912 -151.45101 402.21506
7795.0000 -154.04081 -150.83711 3.20370 1.84382 -151.37822 411.89251
7800.0000 -153.33549 -150.30684 3.02865 1.89414 -150.59832 450.66474
7805.0000 -154.10420 -150.77255 3.33166 1.91452 -150.28260 465.84617
7810.0000 -154.72761 -150.76395 3.96365 1.89832 -150.53354 450.02853
7815.0000 -154.72434 -151.45439 3.26995 1.86486 -151.05205 420.83616
7820.0000 -154.55284 -151.86374 2.68910 1.83737 -151.47815 394.60053
7825.0000 -154.55415 -151.08603 3.46812 1.83651 -151.49150 401.74999
7830.0000 -153.85348 -150.35817 3.49531 1.86099 -151.11202 417.68660
7835.0000 -154.72983 -151.06766 3.66217 1.86148 -151.10451 419.69505
7840.0000 -153.84462 -150.69842 3.14620 1.87914 -150.83083 430.31609
7845.0000 -154.62948 -151.33365 3.29583 1.86078 -151.11537 415.98313
7850.0000 -154.73022 -151.16219 3.56803 1.85912 -151.14111 416.55926
7855.0000 -154.02148 -150.74910 3.27238 1.86749 -151.01135 425.43210
7860.0000 -154.52692 -151.29023 3.23669 1.86162 -151.10232 420.06971
7865.0000 -154.78607 -152.07250 2.71357 1.80886 -151.91991 373.23573
7870.0000 -154.60787 -152.40513 2.20275 1.79524 -152.13092 359.13173
7875.0000 -154.97940 -151.96467 3.01473 1.79115 -152.19429 357.47780
7880.0000 -153.91438 -151.04034 2.87404 1.81323 -151.85217 378.56968
7885.0000 -154.33072 -150.97814 3.35257 1.84951 -151.29005 410.64578
7890.0000 -153.91700 -150.70339 3.21361 1.87193 -150.94260 428.11994
7895.0000 -154.44122 -151.42331 3.01791 1.87456 -150.90186 412.90867
7900.0000 -154.23440 -151.18701 3.04739 1.84439 -151.36930 385.26977
7905.0000 -154.29152 -151.08370 3.20782 1.86181 -151.09942 425.11799
7910.0000 -154.54265 -150.89715 3.64551 1.90598 -150.41493 460.42318
7915.0000 -154.03909 -150.93303 3.10605 1.88693 -150.71004 437.78880
7920.0000 -154.68408 -150.44428 4.23980 1.87871 -150.83753 434.79460
7925.0000 -154.55989 -151.36061 3.19928 1.86546 -151.04281 419.79071
7930.0000 -154.36400 -151.55560 2.80840 1.84102 -151.42150 402.60034
7935.0000 -154.20831 -151.35617 2.85214 1.84453 -151.36721 404.93996
7940.0000 -154.09571 -150.41632 3.67939 1.86231 -151.09164 423.30475
7945.0000 -155.41164 -152.06783 3.34381 1.84335 -151.38536 408.98965
7950.0000 -154.67068 -151.44969 3.22099 1.82454 -151.67699 386.08261
7955.0000 -154.74635 -151.63364 3.11271 1.83732 -151.47891 404.19521
7960.0000 -154.09917 -150.73603 3.36314 1.86721 -151.01574 423.53431
7965.0000 -154.40250 -151.07069 3.33181 1.89530 -150.58043 448.29602
7970.0000 -154.16605 -150.78273 3.38331 1.87489 -150.89661 423.36303
7975.0000 -155.09142 -151.67433 3.41709 1.84642 -151.33779 406.14408
7980.0000 -154.83172 -151.54405 3.28766 1.79875 -152.07662 373.39081
7985.0000 -154.44750 -150.93194 3.51557 1.84650 -151.33654 422.41957
7990.0000 -153.89754 -150.46584 3.43170 1.88123 -150.79844 445.27245
7995.0000 -154.69900 -151.35904 3.33995 1.86385 -151.06784 436.69859
8000.0000 -154.75516 -151.46740 3.28776 1.83093 -151.57786 403.34988
FREEZING PROCESS: loop number 33 T-loop= 388.00000000000000
main_MD> interactions number 33 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09864 0.89954 0.70957
force_rgl> df(natom) 1.79019 -0.98912 1.48928
8005.0000 -155.26454 -152.24436 3.02017 1.79548 -152.12726 372.09870
8010.0000 -154.96265 -151.22416 3.73849 1.83007 -151.59116 404.74762
8015.0000 -154.42197 -151.46819 2.95379 1.83224 -151.55755 399.08300
8020.0000 -154.06742 -150.81452 3.25290 1.83754 -151.47543 410.19259
8025.0000 -154.06855 -151.55149 2.51706 1.82887 -151.60986 393.43949
8030.0000 -154.82552 -151.93703 2.88850 1.83220 -151.55824 406.49951
8035.0000 -155.22921 -151.91817 3.31104 1.81460 -151.83100 388.63768
8040.0000 -154.48957 -151.77153 2.71804 1.81491 -151.82611 390.80149
8045.0000 -154.89050 -152.29956 2.59094 1.81065 -151.89216 382.37890
8050.0000 -155.17624 -151.60086 3.57538 1.79810 -152.08668 376.33678
8055.0000 -155.39644 -152.54478 2.85165 1.79458 -152.14115 369.10976
8060.0000 -154.83821 -151.97921 2.85899 1.78202 -152.33582 360.38456
8065.0000 -154.55798 -151.66965 2.88834 1.81684 -151.79624 393.66348
8070.0000 -153.64218 -150.42113 3.22105 1.86024 -151.12377 426.21990
8075.0000 -154.72032 -151.88452 2.83580 1.86486 -151.05214 405.44559
8080.0000 -154.26382 -150.91469 3.34913 1.82745 -151.63181 373.58348
8085.0000 -154.00827 -150.59033 3.41794 1.88327 -150.76685 421.13083
8090.0000 -154.40777 -151.40862 2.99915 1.86073 -151.11605 401.73466
8095.0000 -154.56195 -151.70385 2.85810 1.83046 -151.58524 385.08987
8100.0000 -154.27898 -151.54771 2.73127 1.80459 -151.98612 381.34175
8105.0000 -154.82877 -151.40393 3.42483 1.85017 -151.27980 422.94994
8110.0000 -155.06441 -152.18763 2.87679 1.81146 -151.87960 377.04172
8115.0000 -154.06375 -150.90089 3.16286 1.81494 -151.82565 387.75361
8120.0000 -154.80078 -152.09574 2.70505 1.83946 -151.44564 412.66242
8125.0000 -155.46114 -152.48206 2.97908 1.77212 -152.48921 350.95881
8130.0000 -154.72415 -151.48127 3.24288 1.79527 -152.13043 379.62501
8135.0000 -154.63827 -151.32298 3.31529 1.84546 -151.35268 416.60838
8140.0000 -155.31606 -152.23734 3.07873 1.80464 -151.98522 378.21121
8145.0000 -155.00580 -152.16781 2.83800 1.81904 -151.76210 391.04073
8150.0000 -155.43453 -152.18575 3.24878 1.77161 -152.49712 352.39393
8155.0000 -154.84753 -152.23678 2.61074 1.78310 -152.31910 364.72191
8160.0000 -155.10309 -152.25828 2.84481 1.80108 -152.04041 379.40181
8165.0000 -155.47961 -152.61076 2.86884 1.78878 -152.23110 371.07746
8170.0000 -154.61552 -151.90871 2.70680 1.77888 -152.38443 356.33108
8175.0000 -154.94012 -151.82503 3.11509 1.80991 -151.90354 394.28542
8180.0000 -155.38141 -152.01309 3.36831 1.80167 -152.03130 381.57619
8185.0000 -154.61276 -151.56916 3.04360 1.80890 -151.91928 382.38923
8190.0000 -154.84361 -151.42286 3.42075 1.84099 -151.42207 416.91102
8195.0000 -154.59096 -151.75507 2.83589 1.83057 -151.58346 400.58331
8200.0000 -155.31741 -152.28829 3.02913 1.79220 -152.17812 368.09548
8205.0000 -154.91625 -152.01931 2.89694 1.78805 -152.24234 363.07861
8210.0000 -154.86056 -151.78276 3.07779 1.81258 -151.86226 383.57310
8215.0000 -154.99212 -151.97925 3.01287 1.79169 -152.18591 369.86780
8220.0000 -154.88169 -152.09595 2.78574 1.80417 -151.99259 380.99303
8225.0000 -155.05098 -152.21114 2.83984 1.79270 -152.17037 367.38089
8230.0000 -154.93495 -151.55294 3.38201 1.80847 -151.92600 385.36654
8235.0000 -155.25982 -152.05032 3.20950 1.81187 -151.87325 385.77196
8240.0000 -155.42465 -152.62278 2.80187 1.77960 -152.37336 363.68256
8245.0000 -154.52261 -151.81190 2.71071 1.77516 -152.44205 351.99427
8250.0000 -155.15814 -151.20310 3.95504 1.84081 -151.42474 407.86390
FREEZING PROCESS: loop number 34 T-loop= 363.00000000000000
main_MD> interactions number 34 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82591 -0.69528 -2.11117
force_rgl> df(natom) 0.61514 -1.64926 -0.52979
8255.0000 -154.83673 -151.96897 2.86776 1.83564 -151.50493 407.79941
8260.0000 -155.15948 -152.51262 2.64686 1.80135 -152.03631 378.94851
8265.0000 -155.43862 -153.00005 2.43858 1.76209 -152.64467 344.15016
8270.0000 -155.80983 -152.71050 3.09933 1.75567 -152.74411 337.47888
8275.0000 -154.29871 -151.14852 3.15019 1.79315 -152.16328 368.45249
8280.0000 -154.64535 -151.56172 3.08363 1.84565 -151.34983 415.70617
8285.0000 -154.90873 -152.20100 2.70772 1.81877 -151.76629 393.64610
8290.0000 -155.18193 -152.35322 2.82870 1.76587 -152.58603 342.32171
8295.0000 -154.64637 -151.77292 2.87345 1.81137 -151.88101 387.18279
8300.0000 -155.20086 -152.07621 3.12465 1.80111 -152.03992 377.24729
8305.0000 -155.01368 -152.49364 2.52004 1.78281 -152.32359 359.17498
8310.0000 -155.60338 -152.87396 2.72942 1.75537 -152.74883 330.55947
8315.0000 -155.88688 -153.24483 2.64204 1.72099 -153.28150 307.91295
8320.0000 -155.10404 -152.28834 2.81570 1.74839 -152.85686 329.09346
8325.0000 -155.44405 -152.00050 3.44355 1.76174 -152.65005 345.86978
8330.0000 -155.09300 -152.46800 2.62500 1.78838 -152.23726 366.74018
8335.0000 -155.00422 -152.06000 2.94422 1.76607 -152.58292 343.76799
8340.0000 -155.12262 -152.67314 2.44948 1.78237 -152.33044 363.16514
8345.0000 -154.81989 -152.09135 2.72854 1.79563 -152.12494 371.47327
8350.0000 -155.77000 -153.31995 2.45004 1.77255 -152.48248 351.99514
8355.0000 -155.14902 -152.29254 2.85648 1.74550 -152.90177 327.03108
8360.0000 -154.83114 -151.77354 3.05760 1.81059 -151.89307 385.84706
8365.0000 -154.94749 -152.29170 2.65579 1.81147 -151.87939 384.76822
8370.0000 -155.16976 -152.86919 2.30057 1.77013 -152.52008 349.25739
8375.0000 -155.33841 -152.44683 2.89158 1.76798 -152.55330 350.15728
8380.0000 -154.79400 -152.00077 2.79323 1.78091 -152.35302 355.08288
8385.0000 -154.83678 -151.84006 2.99672 1.83270 -151.55044 405.84296
8390.0000 -155.23772 -152.22216 3.01555 1.83130 -151.57215 406.10452
8395.0000 -155.02249 -152.51366 2.50884 1.78202 -152.33574 363.23719
8400.0000 -154.84277 -152.16366 2.67910 1.78557 -152.28086 363.06490
8405.0000 -155.35085 -152.45829 2.89256 1.79024 -152.20835 372.62798
8410.0000 -155.42228 -152.41825 3.00403 1.76322 -152.62719 340.42046
8415.0000 -155.59628 -152.86368 2.73260 1.77023 -152.51850 349.26603
8420.0000 -154.93315 -152.04848 2.88467 1.76638 -152.57818 343.67666
8425.0000 -155.23002 -152.33685 2.89317 1.78943 -152.22105 367.33914
8430.0000 -155.45137 -152.51631 2.93506 1.79563 -152.12496 371.00005
8435.0000 -155.25223 -152.25609 2.99614 1.77864 -152.38815 356.90010
8440.0000 -155.18141 -152.63274 2.54867 1.77755 -152.40503 355.17810
8445.0000 -155.36653 -152.54684 2.81969 1.76088 -152.66338 338.87899
8450.0000 -154.60536 -151.49475 3.11061 1.80689 -151.95045 376.06275
8455.0000 -155.07364 -152.07870 2.99494 1.80639 -151.95809 378.90706
8460.0000 -155.17783 -152.15261 3.02522 1.78616 -152.27168 364.24791
8465.0000 -155.10618 -152.18868 2.91749 1.78094 -152.35248 362.03069
8470.0000 -155.30982 -152.60197 2.70785 1.76528 -152.59519 339.92552
8475.0000 -154.64916 -151.96665 2.68251 1.77484 -152.44713 351.08963
8480.0000 -154.61089 -151.31713 3.29376 1.84451 -151.36746 411.87041
8485.0000 -155.27702 -151.80678 3.47024 1.80852 -151.92519 385.76061
8490.0000 -155.13178 -152.77623 2.35554 1.77286 -152.47781 356.24278
8495.0000 -154.89729 -151.98335 2.91394 1.75097 -152.81697 331.54041
8500.0000 -155.24582 -152.28331 2.96251 1.81231 -151.86636 388.88488
FREEZING PROCESS: loop number 35 T-loop= 338.00000000000000
main_MD> interactions number 35 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50616 0.53400 -1.06903
force_rgl> df(natom) -0.88402 -1.51934 0.07457
8505.0000 -155.16869 -152.28764 2.88105 1.79187 -152.18322 368.27148
8510.0000 -155.05868 -151.97647 3.08221 1.79093 -152.19781 368.19371
8515.0000 -155.20531 -152.14415 3.06116 1.77902 -152.38228 357.02253
8520.0000 -155.10427 -152.54103 2.56324 1.78347 -152.31326 354.86287
8525.0000 -155.60816 -153.02893 2.57923 1.73898 -153.00274 320.03804
8530.0000 -155.66953 -153.25186 2.41767 1.75188 -152.80280 332.53282
8535.0000 -155.04402 -152.73368 2.31033 1.74276 -152.94411 324.92139
8540.0000 -154.97451 -152.40224 2.57227 1.77462 -152.45047 351.44041
8545.0000 -154.95117 -152.55735 2.39382 1.77600 -152.42908 357.98395
8550.0000 -155.17130 -152.45973 2.71157 1.77117 -152.50389 350.11585
8555.0000 -155.81980 -152.66309 3.15671 1.73879 -153.00569 321.74444
8560.0000 -155.65166 -153.12431 2.52735 1.74141 -152.96511 326.37767
8565.0000 -155.45089 -152.75941 2.69148 1.74253 -152.94771 324.67781
8570.0000 -155.79317 -153.13743 2.65575 1.75113 -152.81452 332.40201
8575.0000 -155.01539 -152.13508 2.88031 1.78087 -152.35355 363.63107
8580.0000 -155.35091 -152.50807 2.84284 1.76948 -152.53006 349.60893
8585.0000 -155.40001 -153.06028 2.33973 1.74140 -152.96520 321.66482
8590.0000 -155.61640 -153.24915 2.36725 1.71957 -153.30346 300.82032
8595.0000 -155.65135 -153.12999 2.52136 1.74150 -152.96364 323.29886
8600.0000 -155.51558 -152.67788 2.83770 1.74493 -152.91060 326.27686
8605.0000 -155.55831 -153.01008 2.54823 1.76063 -152.66718 343.32844
8610.0000 -155.61877 -152.97103 2.64774 1.75523 -152.75099 337.43837
8615.0000 -155.58463 -153.05130 2.53333 1.76368 -152.62007 345.40872
8620.0000 -155.64355 -153.53643 2.10713 1.73288 -153.09721 313.42218
8625.0000 -155.61365 -152.84784 2.76581 1.70141 -153.58488 287.13261
8630.0000 -155.36886 -152.78530 2.58357 1.75818 -152.70526 339.75254
8635.0000 -155.57658 -153.05010 2.52647 1.73577 -153.05255 317.17466
8640.0000 -155.55238 -153.04351 2.50887 1.72901 -153.15726 310.94245
8645.0000 -155.45345 -152.36584 3.08762 1.75412 -152.76811 336.61265
8650.0000 -155.68479 -152.77085 2.91394 1.76352 -152.62244 346.35687
8655.0000 -155.02430 -152.34133 2.68297 1.76166 -152.65125 344.55319
8660.0000 -155.39239 -152.46893 2.92345 1.79024 -152.20849 365.34560
8665.0000 -155.67235 -153.24851 2.42384 1.74141 -152.96516 321.29761
8670.0000 -155.81833 -153.27964 2.53868 1.72360 -153.24113 308.10756
8675.0000 -155.87906 -153.29715 2.58191 1.71763 -153.33359 299.70034
8680.0000 -155.53334 -153.07006 2.46328 1.72783 -153.17552 310.04893
8685.0000 -155.43623 -152.67639 2.75984 1.74902 -152.84714 333.13775
8690.0000 -155.73735 -152.92709 2.81026 1.74747 -152.87112 329.80220
8695.0000 -155.87434 -152.70576 3.16859 1.77113 -152.50451 350.75874
8700.0000 -155.48407 -153.32630 2.15777 1.74183 -152.95857 326.50447
8705.0000 -155.77311 -152.86002 2.91309 1.73815 -153.01559 325.57972
8710.0000 -155.39339 -152.42283 2.97056 1.75576 -152.74266 341.67862
8715.0000 -155.11846 -152.56267 2.55579 1.74965 -152.83738 329.47286
8720.0000 -155.48826 -152.72458 2.76368 1.76103 -152.66113 342.33109
8725.0000 -155.34291 -152.82573 2.51718 1.73110 -153.12491 315.52227
8730.0000 -155.83584 -153.04369 2.79215 1.74185 -152.95832 324.63895
8735.0000 -155.40887 -153.06978 2.33909 1.73014 -153.13968 314.67619
8740.0000 -155.37584 -152.79631 2.57953 1.73299 -153.09562 313.11524
8745.0000 -155.29925 -152.67558 2.62367 1.76121 -152.65832 339.85574
8750.0000 -155.36556 -152.63034 2.73522 1.76699 -152.56863 345.43421
FREEZING PROCESS: loop number 36 T-loop= 313.00000000000000
main_MD> interactions number 36 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26592 0.21960 -0.01117
force_rgl> df(natom) 2.29372 0.86414 -0.28534
8755.0000 -155.57736 -152.84238 2.73498 1.74168 -152.96095 322.69932
8760.0000 -155.59058 -153.23697 2.35362 1.74006 -152.98594 318.41539
8765.0000 -155.35308 -152.98977 2.36331 1.73618 -153.04616 319.01198
8770.0000 -155.90227 -152.69476 3.20751 1.74692 -152.87969 326.73188
8775.0000 -156.07591 -153.48906 2.58684 1.72563 -153.20965 308.99876
8780.0000 -155.64984 -153.23085 2.41899 1.71902 -153.31210 299.62525
8785.0000 -155.91093 -153.51086 2.40007 1.73245 -153.10393 313.70573
8790.0000 -155.81068 -153.49227 2.31841 1.71927 -153.30811 301.19562
8795.0000 -155.01189 -152.79295 2.21894 1.71881 -153.31525 306.87721
8800.0000 -156.08295 -153.34369 2.73926 1.73230 -153.10620 319.14030
8805.0000 -155.48969 -152.85523 2.63446 1.72786 -153.17513 314.43574
8810.0000 -155.43620 -152.94598 2.49023 1.76492 -152.60072 344.42606
8815.0000 -155.30783 -153.02506 2.28277 1.74458 -152.91594 324.69122
8820.0000 -155.49619 -152.88166 2.61453 1.73752 -153.02544 318.06802
8825.0000 -155.92820 -153.31618 2.61202 1.74114 -152.96923 324.37263
8830.0000 -155.67674 -153.02267 2.65406 1.72144 -153.27460 305.59057
8835.0000 -155.44516 -152.70560 2.73956 1.74858 -152.85393 328.60289
8840.0000 -155.86139 -153.01682 2.84457 1.75073 -152.82070 332.78047
8845.0000 -155.55008 -152.98350 2.56658 1.73926 -152.99841 324.07423
8850.0000 -155.55925 -153.17981 2.37944 1.73531 -153.05955 317.67968
8855.0000 -155.47944 -153.01212 2.46731 1.73710 -153.03191 319.94768
8860.0000 -155.37152 -152.74767 2.62385 1.76732 -152.56361 345.54983
8865.0000 -155.58058 -153.08890 2.49169 1.72485 -153.22166 307.00650
8870.0000 -155.68321 -153.33061 2.35259 1.72276 -153.25414 305.45706
8875.0000 -155.67422 -153.39544 2.27878 1.71946 -153.30524 303.43132
8880.0000 -155.97382 -153.51881 2.45501 1.72386 -153.23702 306.66210
8885.0000 -155.42115 -153.00332 2.41784 1.71851 -153.31992 302.03293
8890.0000 -155.35706 -152.71153 2.64553 1.73851 -153.01003 322.15232
8895.0000 -155.40826 -153.30854 2.09972 1.71491 -153.37575 297.44911
8900.0000 -155.63962 -153.19622 2.44341 1.71793 -153.32888 300.39444
8905.0000 -155.89324 -153.75909 2.13415 1.72822 -153.16945 309.52487
8910.0000 -155.86754 -153.47659 2.39095 1.71909 -153.31104 301.87375
8915.0000 -155.49022 -152.87689 2.61333 1.73538 -153.05851 323.09908
8920.0000 -155.61083 -152.79765 2.81318 1.74750 -152.87078 329.25456
8925.0000 -155.67669 -152.80833 2.86836 1.72856 -153.16417 311.37668
8930.0000 -155.47126 -152.97925 2.49201 1.74226 -152.95195 323.31004
8935.0000 -155.27300 -152.68267 2.59034 1.75664 -152.72914 338.47497
8940.0000 -155.45564 -152.69421 2.76143 1.76901 -152.53744 349.92693
8945.0000 -154.69677 -152.19237 2.50440 1.79205 -152.18043 358.64079
8950.0000 -155.17820 -152.56478 2.61341 1.78086 -152.35376 335.50986
8955.0000 -155.50558 -153.25300 2.25258 1.74171 -152.96050 321.76189
8960.0000 -155.83056 -153.74991 2.08065 1.70605 -153.51300 288.70567
8965.0000 -155.61818 -153.56161 2.05657 1.70326 -153.55634 286.76405
8970.0000 -156.32829 -153.66432 2.66398 1.70732 -153.49337 291.56593
8975.0000 -155.97582 -153.46272 2.51309 1.70407 -153.54374 285.98531
8980.0000 -155.56620 -153.16264 2.40357 1.71684 -153.34578 300.58799
8985.0000 -155.35850 -152.55173 2.80676 1.72592 -153.20511 307.33701
8990.0000 -155.10916 -152.23796 2.87120 1.77026 -152.51798 348.62255
8995.0000 -155.65206 -152.49704 3.15501 1.77122 -152.50320 354.71410
9000.0000 -155.80581 -153.70020 2.10561 1.73861 -153.00846 323.58117
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 12 [min], 46.4900540 [s].
main_MD> Deallocating global variables
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