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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_57/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_57.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 = 57 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 57 5700
main_MD> Size of nv and nvoiz: 57 5700
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 = 57
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> 3.7358176035681992E-002 -3.1238160593648513E-002 7.8109627098760920E-004 initial drift of cluster / NP1 for coalescence
init> 0.30476048928180072 0.28705857379818089 0.29821674975712026 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7577740037471690E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20754 -2.66466 -2.57843
force_rgl> df(natom) -1.41763 -1.87211 4.09971
preparo> THERMALIZATION PROCESS AT 1220.8285323954128
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -124.54996330922330 7.2961298478772409 -131.84609315710054 6.3332843992055924E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1200.0000000000000
main_MD> interactions number 1 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66384 -1.63314 -2.07895
force_rgl> df(natom) -2.93229 1.10816 -0.17056
5.0000 -130.68601 -121.81935 8.86666 3.07403 -122.62069 1288.55810
10.0000 -132.64209 -123.31467 9.32743 3.11407 -122.02769 1262.67888
15.0000 -133.62429 -124.37224 9.25205 2.91608 -124.96006 1137.71764
20.0000 -132.72213 -124.62698 8.09515 2.91810 -124.93014 1101.55681
25.0000 -132.88138 -122.29275 10.58863 3.05034 -122.97150 1236.39265
30.0000 -130.96188 -120.73438 10.22750 3.15954 -121.35422 1351.95864
35.0000 -131.82287 -121.80953 10.01334 3.18260 -121.01256 1314.85722
40.0000 -131.69397 -122.38826 9.30572 3.10902 -122.10244 1319.97795
45.0000 -131.78534 -122.64857 9.13676 3.13020 -121.78868 1289.24335
50.0000 -131.80271 -124.37826 7.42445 2.98982 -123.86786 1167.75712
55.0000 -131.59534 -122.30996 9.28538 2.95548 -124.37650 1134.68837
60.0000 -133.37124 -123.77684 9.59440 3.06579 -122.74277 1245.73646
65.0000 -132.73392 -121.52764 11.20628 3.09841 -122.25952 1278.91085
70.0000 -133.33389 -123.22150 10.11240 3.10951 -122.09524 1296.71181
75.0000 -133.23785 -125.19484 8.04301 2.94830 -124.48278 1195.97792
80.0000 -131.14639 -122.00014 9.14624 2.95811 -124.33758 1173.69826
85.0000 -132.76908 -123.82453 8.94455 3.04318 -123.07758 1210.37990
90.0000 -132.64385 -124.59049 8.05336 3.01604 -123.47954 1186.64382
95.0000 -132.52090 -124.40458 8.11633 2.94131 -124.58640 1168.73081
100.0000 -132.90108 -123.93927 8.96181 3.00400 -123.65786 1239.56589
105.0000 -133.04593 -124.73658 8.30935 2.99165 -123.84082 1218.24118
110.0000 -132.41390 -123.70337 8.71053 2.96107 -124.29369 1152.79119
115.0000 -132.14184 -122.78625 9.35559 3.00981 -123.57178 1139.02644
120.0000 -130.87849 -122.09177 8.78672 3.13026 -121.78789 1300.51630
125.0000 -133.25776 -123.72840 9.52936 3.07572 -122.59559 1280.58641
130.0000 -131.87098 -124.07803 7.79294 2.92736 -124.79304 1162.50339
135.0000 -131.19057 -122.92493 8.26565 3.05488 -122.90433 1225.26652
140.0000 -131.51512 -123.44553 8.06959 3.04378 -123.06873 1221.06855
145.0000 -131.69065 -122.87322 8.81743 3.02443 -123.35523 1232.32679
150.0000 -131.25091 -124.39541 6.85550 3.01119 -123.55142 1223.06406
155.0000 -132.30214 -123.62270 8.67943 3.01644 -123.47363 1203.03926
160.0000 -132.38033 -121.26108 11.11926 3.06638 -122.73393 1284.69082
165.0000 -132.70024 -124.63737 8.06287 3.07590 -122.59304 1296.47081
170.0000 -132.39390 -123.82443 8.56947 2.95137 -124.43741 1152.43547
175.0000 -133.44216 -123.78359 9.65856 2.97249 -124.12452 1188.31312
180.0000 -133.11414 -124.12139 8.99275 3.04392 -123.06668 1234.39867
185.0000 -132.79640 -124.20616 8.59024 3.04444 -123.05886 1238.26681
190.0000 -132.57815 -123.66725 8.91091 3.01538 -123.48933 1231.91063
195.0000 -131.65680 -123.46026 8.19654 3.00554 -123.63502 1165.47124
200.0000 -132.74397 -124.55575 8.18822 3.00046 -123.71029 1191.07408
205.0000 -133.50828 -124.49875 9.00953 2.96563 -124.22622 1171.15117
210.0000 -131.51277 -124.02758 7.48519 2.96021 -124.30645 1163.61605
215.0000 -135.11342 -125.85755 9.25587 2.88795 -125.37667 1118.61995
220.0000 -131.72175 -120.30913 11.41263 3.05073 -122.96580 1243.95650
225.0000 -131.23320 -123.60830 7.62490 3.16969 -121.20383 1300.56469
230.0000 -131.93714 -124.04957 7.88757 3.00325 -123.66893 1185.79261
235.0000 -132.19485 -122.36295 9.83190 3.00442 -123.65163 1195.92444
240.0000 -131.98424 -123.24021 8.74403 3.03745 -123.16245 1247.18698
245.0000 -134.42803 -124.70387 9.72416 3.01191 -123.54073 1240.04108
250.0000 -133.74071 -124.98372 8.75699 2.95462 -124.38918 1171.36518
FREEZING PROCESS: loop number 2 T-loop= 1175.0000000000000
main_MD> interactions number 2 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79236 -1.01449 -3.24458
force_rgl> df(natom) -6.01386 1.07500 -5.70174
255.0000 -130.96329 -123.58445 7.37883 2.99385 -123.80818 1172.23416
260.0000 -133.71368 -124.69902 9.01466 3.00182 -123.69016 1182.89106
265.0000 -134.02641 -126.20818 7.81823 2.89535 -125.26708 1084.13429
270.0000 -134.74422 -126.81276 7.93146 2.86965 -125.64775 1123.77075
275.0000 -134.98982 -126.17944 8.81038 2.79707 -126.72278 1068.96495
280.0000 -131.88866 -123.31293 8.57573 2.94143 -124.58465 1176.15513
285.0000 -130.92195 -122.54666 8.37529 3.05071 -122.96607 1238.78943
290.0000 -133.70700 -126.36802 7.33898 2.92954 -124.76073 1129.26354
295.0000 -134.26673 -125.27451 8.99222 2.87471 -125.57277 1134.97292
300.0000 -130.99612 -121.68621 9.30991 3.05517 -122.89993 1284.40827
305.0000 -133.60274 -123.19056 10.41218 3.05123 -122.95842 1213.58058
310.0000 -130.94266 -123.50647 7.43619 2.97092 -124.14786 1204.11770
315.0000 -132.05556 -122.82157 9.23399 2.98666 -123.91465 1196.50541
320.0000 -133.56494 -124.40381 9.16113 2.94815 -124.48501 1173.51091
325.0000 -133.60804 -125.74694 7.86110 2.91421 -124.98770 1137.78130
330.0000 -132.61182 -124.57019 8.04163 2.88633 -125.40070 1109.98215
335.0000 -134.14304 -122.92617 11.21687 3.01171 -123.54362 1191.02526
340.0000 -131.49179 -122.78911 8.70268 3.07978 -122.53545 1271.10617
345.0000 -132.30982 -123.32193 8.98789 3.03404 -123.21300 1198.99776
350.0000 -130.82028 -122.41414 8.40614 2.98723 -123.90631 1141.12671
355.0000 -131.75918 -122.43719 9.32198 3.05634 -122.88264 1222.66001
360.0000 -132.84756 -124.21807 8.62950 2.97379 -124.10529 1223.69229
365.0000 -132.08376 -123.39061 8.69316 2.99770 -123.75125 1219.49092
370.0000 -134.46743 -125.90150 8.56592 2.95259 -124.41936 1216.03133
375.0000 -132.33730 -123.81338 8.52391 2.93103 -124.73862 1170.85460
380.0000 -132.83936 -123.97239 8.86697 3.03045 -123.26614 1193.36787
385.0000 -133.91602 -126.43189 7.48414 2.91606 -124.96029 1175.26204
390.0000 -134.23336 -125.51869 8.71467 2.86668 -125.69174 1135.57407
395.0000 -136.89582 -128.33356 8.56226 2.73746 -127.60552 1050.32224
400.0000 -134.71491 -127.63877 7.07614 2.74261 -127.52924 1023.70823
405.0000 -134.01187 -126.48693 7.52494 2.79016 -126.82506 1050.17604
410.0000 -134.74600 -126.85597 7.89004 2.75849 -127.29411 1065.43441
415.0000 -136.57698 -127.41443 9.16255 2.79056 -126.81909 1090.30417
420.0000 -135.07767 -126.92182 8.15585 2.74138 -127.54759 1040.20287
425.0000 -133.82283 -127.71887 6.10396 2.79660 -126.72966 1069.00603
430.0000 -133.14054 -124.08698 9.05356 2.76855 -127.14508 1052.27730
435.0000 -133.05387 -124.64560 8.40828 2.99878 -123.73525 1236.96688
440.0000 -131.73413 -123.27489 8.45925 2.93207 -124.72328 1181.51220
445.0000 -129.46992 -120.98962 8.48030 3.13777 -121.67657 1286.58114
450.0000 -132.06216 -122.99382 9.06835 3.14067 -121.63360 1307.77550
455.0000 -133.95558 -125.51709 8.43848 2.95009 -124.45634 1140.68043
460.0000 -133.05578 -124.16151 8.89427 2.94479 -124.53476 1121.21474
465.0000 -132.31938 -124.49768 7.82170 2.97879 -124.03132 1178.54069
470.0000 -135.14279 -125.72169 9.42110 2.88822 -125.37267 1095.16567
475.0000 -132.97080 -123.29565 9.67515 2.86789 -125.67387 1114.16607
480.0000 -131.62368 -124.34362 7.28005 2.99666 -123.76666 1194.55244
485.0000 -134.93208 -128.19091 6.74117 2.81232 -126.49687 1049.07681
490.0000 -134.22114 -124.46105 9.76009 2.83403 -126.17528 1084.97993
495.0000 -133.23861 -123.62108 9.61753 2.94682 -124.50477 1165.06688
500.0000 -133.89377 -126.08093 7.81285 2.89000 -125.34627 1142.80338
FREEZING PROCESS: loop number 3 T-loop= 1150.0000000000000
main_MD> interactions number 3 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28191 -3.67756 0.96549
force_rgl> df(natom) 2.07385 0.51545 0.78982
505.0000 -135.25279 -126.69285 8.55994 2.84507 -126.01184 1085.57727
510.0000 -131.91076 -123.50634 8.40442 2.92731 -124.79370 1128.48835
515.0000 -133.35150 -124.87792 8.47359 2.94675 -124.50578 1107.27500
520.0000 -133.84597 -124.84140 9.00457 2.90114 -125.18127 1152.35906
525.0000 -134.36081 -126.70232 7.65849 2.89950 -125.20562 1157.93372
530.0000 -133.20991 -124.07378 9.13612 2.88607 -125.40457 1107.56833
535.0000 -133.66172 -124.57026 9.09146 2.93218 -124.72160 1192.71020
540.0000 -134.31518 -127.54592 6.76925 2.83882 -126.10430 1051.25769
545.0000 -133.01501 -123.71358 9.30143 2.90933 -125.06002 1122.23968
550.0000 -134.24464 -126.00064 8.24400 2.96229 -124.27564 1173.11332
555.0000 -133.84659 -123.80184 10.04475 2.91282 -125.00837 1144.42573
560.0000 -131.10689 -123.15438 7.95251 2.98976 -123.86880 1198.65903
565.0000 -132.86001 -125.48304 7.37696 2.93352 -124.70177 1127.08545
570.0000 -132.31413 -124.47626 7.83787 2.90382 -125.14158 1103.76952
575.0000 -133.42312 -124.50542 8.91770 2.98188 -123.98552 1163.84191
580.0000 -132.66494 -123.96092 8.70402 2.99083 -123.85287 1195.71483
585.0000 -134.16815 -124.66720 9.50095 2.95958 -124.31575 1169.33677
590.0000 -133.60952 -123.68872 9.92080 2.92347 -124.85054 1165.64458
595.0000 -134.39388 -125.46403 8.92985 2.90398 -125.13921 1139.38830
600.0000 -134.24734 -125.52448 8.72286 2.95613 -124.36688 1194.58252
605.0000 -133.34813 -123.94031 9.40783 2.95897 -124.32486 1175.41098
610.0000 -133.63105 -124.80784 8.82320 2.95045 -124.45100 1133.02227
615.0000 -132.30624 -124.04142 8.26482 2.95571 -124.37306 1167.26115
620.0000 -133.13805 -123.90299 9.23505 3.05330 -122.92765 1235.79775
625.0000 -133.36731 -124.85042 8.51689 2.90463 -125.12966 1138.13170
630.0000 -133.52956 -126.48351 7.04605 2.86740 -125.68110 1127.42064
635.0000 -132.91417 -125.57542 7.33875 2.87576 -125.55728 1123.66403
640.0000 -131.98097 -123.41753 8.56344 2.99141 -123.84438 1191.96523
645.0000 -131.16314 -122.36344 8.79970 3.03810 -123.15277 1225.39340
650.0000 -130.57755 -121.67585 8.90170 3.06919 -122.69236 1241.56393
655.0000 -131.23240 -123.01928 8.21312 3.08755 -122.42039 1258.65260
660.0000 -133.84559 -126.26431 7.58128 2.95639 -124.36297 1182.70525
665.0000 -134.29847 -127.62483 6.67364 2.80126 -126.66059 1089.52049
670.0000 -133.89816 -126.06666 7.83150 2.77069 -127.11341 1026.55863
675.0000 -135.29273 -127.29615 7.99658 2.82948 -126.24268 1037.73397
680.0000 -134.64170 -126.34232 8.29938 2.68159 -128.43302 1002.07324
685.0000 -134.49395 -125.40317 9.09078 2.86824 -125.66866 1107.48694
690.0000 -134.21413 -125.95024 8.26388 2.90553 -125.11633 1161.18987
695.0000 -134.21637 -125.76981 8.44656 2.88019 -125.49163 1104.98693
700.0000 -133.68698 -125.42292 8.26406 2.82546 -126.30220 1079.62044
705.0000 -134.05664 -125.36171 8.69493 2.87770 -125.52852 1120.87807
710.0000 -131.75071 -123.45745 8.29325 2.93937 -124.61504 1155.26536
715.0000 -134.09176 -125.78558 8.30618 2.91792 -124.93281 1143.84353
720.0000 -134.12869 -126.38572 7.74297 2.85423 -125.87617 1093.49479
725.0000 -132.66253 -125.43944 7.22309 2.88705 -125.38996 1125.30628
730.0000 -131.93249 -123.34924 8.58325 2.97832 -124.03829 1192.54372
735.0000 -133.18837 -124.76458 8.42379 2.95596 -124.36935 1175.17934
740.0000 -133.04803 -122.87700 10.17103 2.97819 -124.04011 1194.79110
745.0000 -133.46464 -124.58836 8.87628 3.02952 -123.27991 1225.59023
750.0000 -133.14888 -124.55832 8.59056 2.95570 -124.37318 1172.35667
FREEZING PROCESS: loop number 4 T-loop= 1125.0000000000000
main_MD> interactions number 4 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.28010 -1.00262 3.22810
force_rgl> df(natom) 0.45353 -3.38777 0.89157
755.0000 -133.12242 -124.62738 8.49503 2.99413 -123.80403 1223.00525
760.0000 -133.41638 -125.34221 8.07417 3.01535 -123.48974 1254.97575
765.0000 -133.32804 -125.45877 7.86927 2.86164 -125.76635 1087.11522
770.0000 -134.89046 -127.45619 7.43427 2.79249 -126.79047 1052.73773
775.0000 -133.10869 -126.27008 6.83860 2.82891 -126.25113 1064.89849
780.0000 -132.57413 -124.26381 8.31031 2.94880 -124.47540 1141.26741
785.0000 -133.81837 -126.72297 7.09540 2.83921 -126.09862 1104.45177
790.0000 -133.73451 -124.55242 9.18209 2.86264 -125.75160 1097.34619
795.0000 -133.37178 -124.99015 8.38162 2.99888 -123.73366 1185.09409
800.0000 -133.11223 -126.56029 6.55195 2.84745 -125.97647 1102.79614
805.0000 -132.59949 -124.11728 8.48220 2.80107 -126.66345 1059.42093
810.0000 -134.00437 -124.26720 9.73717 2.95194 -124.42899 1139.55305
815.0000 -130.79678 -122.96008 7.83670 3.00755 -123.60525 1196.64108
820.0000 -133.19852 -124.90529 8.29323 2.96796 -124.19162 1144.75881
825.0000 -133.26950 -125.18169 8.08781 2.96895 -124.17698 1169.00250
830.0000 -133.93731 -125.42560 8.51172 2.89878 -125.21626 1113.92393
835.0000 -133.25704 -124.96158 8.29545 2.90106 -125.18250 1184.84911
840.0000 -133.14012 -126.16173 6.97839 2.86985 -125.64481 1113.48516
845.0000 -135.14235 -125.92417 9.21818 2.88944 -125.35466 1118.43454
850.0000 -134.74531 -125.83116 8.91415 2.83851 -126.10891 1097.94710
855.0000 -132.32013 -123.85319 8.46695 2.88954 -125.35314 1140.93724
860.0000 -132.83145 -125.03826 7.79319 2.95670 -124.35843 1156.26320
865.0000 -132.25053 -122.94412 9.30641 2.97775 -124.04673 1185.58122
870.0000 -133.53424 -124.26273 9.27152 2.97052 -124.15379 1167.16541
875.0000 -132.11623 -122.83676 9.27947 3.00865 -123.58907 1249.58903
880.0000 -134.23859 -124.40134 9.83725 3.00378 -123.66111 1229.74491
885.0000 -134.89120 -126.31208 8.57912 2.82376 -126.32736 1082.88277
890.0000 -135.87288 -128.88024 6.99264 2.71854 -127.88581 991.44612
895.0000 -132.48563 -122.74842 9.73721 2.79689 -126.72543 1060.53532
900.0000 -134.35946 -126.56536 7.79410 2.93671 -124.65454 1144.71613
905.0000 -133.19612 -124.51227 8.68384 2.93517 -124.67735 1089.34591
910.0000 -132.00369 -124.24440 7.75929 2.98475 -123.94294 1187.73490
915.0000 -132.66396 -125.77277 6.89119 2.89201 -125.31656 1106.16898
920.0000 -133.36338 -123.82996 9.53342 2.85482 -125.86735 1108.99265
925.0000 -132.25174 -124.23112 8.02062 3.04976 -122.98015 1251.15061
930.0000 -134.20993 -126.33789 7.87204 2.94998 -124.45797 1183.34086
935.0000 -130.71029 -122.15967 8.55062 2.96375 -124.25401 1170.52451
940.0000 -131.70243 -123.90251 7.79992 3.06863 -122.70057 1242.78521
945.0000 -132.64990 -124.29753 8.35238 2.93427 -124.69064 1099.13276
950.0000 -132.93454 -123.22711 9.70743 2.97379 -124.10538 1163.19371
955.0000 -131.81130 -122.15684 9.65446 3.08188 -122.50446 1288.34952
960.0000 -131.39165 -122.51485 8.87679 3.01661 -123.47112 1205.53368
965.0000 -133.83508 -124.77181 9.06327 3.01519 -123.49213 1229.26996
970.0000 -133.65692 -125.64232 8.01460 2.92678 -124.80157 1149.27948
975.0000 -134.68066 -126.32763 8.35303 2.87960 -125.50039 1093.41521
980.0000 -134.98458 -125.75114 9.23344 2.82520 -126.30608 1051.03038
985.0000 -133.66365 -126.08250 7.58115 2.88777 -125.37941 1107.60512
990.0000 -134.27074 -125.68658 8.58416 2.90248 -125.16142 1136.03372
995.0000 -135.04265 -126.90901 8.13363 2.83979 -126.08994 1052.86529
1000.0000 -133.67619 -125.31968 8.35651 2.84579 -126.00117 1109.07702
FREEZING PROCESS: loop number 5 T-loop= 1100.0000000000000
main_MD> interactions number 5 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11956 3.40720 0.40464
force_rgl> df(natom) -3.38906 -6.18666 -2.73264
1005.0000 -134.60275 -126.94873 7.65402 2.87964 -125.49978 1135.86659
1010.0000 -134.92566 -127.97509 6.95058 2.77966 -126.98059 1056.86718
1015.0000 -131.99246 -124.76729 7.22516 2.88283 -125.45248 1133.52777
1020.0000 -132.99370 -122.02672 10.96698 3.04558 -123.04204 1223.28938
1025.0000 -131.86402 -123.91772 7.94630 3.04872 -122.99552 1235.33346
1030.0000 -133.63346 -125.31897 8.31449 2.89152 -125.32387 1134.36342
1035.0000 -135.00128 -126.61579 8.38549 2.84081 -126.07494 1075.77435
1040.0000 -134.95184 -126.82238 8.12946 2.77658 -127.02624 1064.39926
1045.0000 -134.97571 -127.94591 7.02980 2.72693 -127.76158 995.11212
1050.0000 -133.59896 -126.20554 7.39342 2.78481 -126.90428 1064.06172
1055.0000 -133.71342 -127.34061 6.37281 2.80617 -126.58786 1058.49287
1060.0000 -136.13045 -128.50051 7.62994 2.74814 -127.44738 1023.52635
1065.0000 -135.09003 -125.96974 9.12029 2.74951 -127.42718 1026.95607
1070.0000 -134.61526 -125.41921 9.19605 2.80646 -126.58366 1066.05814
1075.0000 -134.89459 -127.34050 7.55410 2.90797 -125.08011 1166.80556
1080.0000 -132.89831 -126.42648 6.47183 2.75910 -127.28512 1044.88387
1085.0000 -135.90339 -126.24002 9.66337 2.81257 -126.49316 1092.59573
1090.0000 -135.05009 -127.76988 7.28021 2.71791 -127.89511 994.72510
1095.0000 -135.04223 -128.61792 6.42431 2.63680 -129.09639 959.63977
1100.0000 -136.21936 -127.64966 8.56970 2.65113 -128.88414 973.68009
1105.0000 -133.34899 -124.84407 8.50493 2.83408 -126.17453 1104.79140
1110.0000 -132.90508 -123.79418 9.11090 2.94735 -124.49688 1154.52247
1115.0000 -132.73689 -122.43689 10.30000 3.06434 -122.76415 1283.33866
1120.0000 -133.01898 -123.67873 9.34025 3.09654 -122.28723 1310.14334
1125.0000 -134.87285 -125.75021 9.12264 2.97373 -124.10620 1206.98391
1130.0000 -132.22426 -124.56315 7.66111 2.96300 -124.26508 1177.82962
1135.0000 -134.25509 -125.48700 8.76809 2.91770 -124.93602 1143.96259
1140.0000 -132.52267 -124.84400 7.67867 2.89123 -125.32812 1159.05934
1145.0000 -134.70846 -126.78583 7.92263 2.96160 -124.28593 1177.18057
1150.0000 -134.85226 -126.90685 7.94541 2.78119 -126.95788 991.87766
1155.0000 -134.43023 -127.03198 7.39825 2.76811 -127.15164 1057.94404
1160.0000 -134.41108 -125.54865 8.86242 2.77493 -127.05060 1064.68259
1165.0000 -133.24913 -124.26770 8.98143 2.87310 -125.59669 1134.99194
1170.0000 -132.99753 -124.79883 8.19870 2.88234 -125.45981 1103.32388
1175.0000 -131.78299 -123.68074 8.10225 2.95601 -124.36866 1137.33133
1180.0000 -132.31958 -123.56429 8.75529 2.96410 -124.24888 1191.28422
1185.0000 -132.33238 -122.66594 9.66644 2.98692 -123.91077 1168.32347
1190.0000 -132.96565 -125.56996 7.39569 3.00857 -123.59025 1211.12617
1195.0000 -134.34838 -127.15113 7.19725 2.85128 -125.91980 1082.86898
1200.0000 -134.55934 -125.92226 8.63708 2.85804 -125.81963 1117.70376
1205.0000 -134.55764 -127.08225 7.47539 2.79318 -126.78033 1063.29103
1210.0000 -133.95978 -126.33758 7.62220 2.79827 -126.70491 1062.86141
1215.0000 -134.35100 -127.11502 7.23599 2.81958 -126.38928 1080.68759
1220.0000 -135.24648 -127.83740 7.40907 2.75751 -127.30861 997.34403
1225.0000 -133.55484 -125.46537 8.08947 2.82302 -126.33831 1091.32017
1230.0000 -131.93404 -122.90535 9.02869 2.95351 -124.40575 1123.08088
1235.0000 -132.84706 -124.51379 8.33327 2.94460 -124.53769 1137.06949
1240.0000 -133.20314 -124.38370 8.81944 2.97156 -124.13828 1201.72908
1245.0000 -134.15661 -125.83930 8.31730 2.79770 -126.71339 1050.68584
1250.0000 -133.47684 -125.13680 8.34004 2.91037 -125.04459 1141.14750
FREEZING PROCESS: loop number 6 T-loop= 1075.0000000000000
main_MD> interactions number 6 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.13848 1.38823 2.42001
force_rgl> df(natom) -3.03352 -4.54506 2.17234
1255.0000 -133.26874 -123.49004 9.77870 3.00966 -123.57410 1195.67715
1260.0000 -132.37372 -125.18658 7.18714 3.03311 -123.22674 1196.63009
1265.0000 -133.36570 -124.97851 8.38719 2.96911 -124.17470 1197.44450
1270.0000 -133.56889 -126.58039 6.98849 2.87396 -125.58388 1095.87290
1275.0000 -135.63691 -127.27336 8.36356 2.76650 -127.17547 1025.00420
1280.0000 -135.92714 -129.67610 6.25105 2.74018 -127.56536 971.47538
1285.0000 -136.37214 -128.75303 7.61912 2.56067 -130.22398 880.53179
1290.0000 -134.49564 -126.91691 7.57873 2.72376 -127.80847 1003.22250
1295.0000 -134.91904 -126.87670 8.04234 2.73772 -127.60174 1027.14027
1300.0000 -133.40172 -125.78016 7.62156 2.79399 -126.76836 1052.56341
1305.0000 -135.04740 -126.03290 9.01450 2.84678 -125.98639 1087.94334
1310.0000 -134.63360 -127.11025 7.52335 2.88731 -125.38613 1128.01718
1315.0000 -133.51170 -124.30130 9.21040 2.84225 -126.05354 1038.30254
1320.0000 -134.69461 -125.75828 8.93633 2.87462 -125.57411 1104.11736
1325.0000 -134.09854 -126.25925 7.83929 2.80510 -126.60371 1076.65240
1330.0000 -132.58913 -124.62050 7.96864 2.87660 -125.54480 1138.47914
1335.0000 -134.14797 -125.95089 8.19708 2.87645 -125.54706 1107.01206
1340.0000 -133.73885 -126.58517 7.15368 2.81340 -126.48088 1042.45000
1345.0000 -134.46927 -126.69547 7.77380 2.75385 -127.36290 1013.60762
1350.0000 -134.08545 -126.59874 7.48671 2.75857 -127.29287 1020.39194
1355.0000 -134.30898 -124.79732 9.51166 2.81139 -126.51061 1095.20945
1360.0000 -133.73109 -127.12937 6.60171 2.84103 -126.07162 1064.50187
1365.0000 -135.22634 -127.77561 7.45073 2.73698 -127.61270 1002.54362
1370.0000 -133.87491 -128.05210 5.82281 2.67960 -128.46261 955.77876
1375.0000 -135.54553 -129.42128 6.12425 2.67523 -128.52733 942.96212
1380.0000 -135.85612 -128.80092 7.05521 2.62745 -129.23489 954.61840
1385.0000 -136.12889 -129.11147 7.01742 2.67014 -128.60270 994.31859
1390.0000 -133.67776 -126.49319 7.18456 2.73764 -127.60296 1014.94818
1395.0000 -136.18790 -127.33748 8.85042 2.76452 -127.20487 1026.75386
1400.0000 -133.53618 -125.50272 8.03346 2.79274 -126.78679 1068.24046
1405.0000 -132.36711 -125.07371 7.29341 2.91586 -124.96331 1151.11056
1410.0000 -132.04844 -124.63447 7.41397 2.98870 -123.88453 1200.70461
1415.0000 -133.18850 -123.63826 9.55023 2.98798 -123.89517 1201.27628
1420.0000 -134.06777 -126.24260 7.82517 2.90848 -125.07264 1136.72727
1425.0000 -134.42298 -125.23107 9.19191 2.79910 -126.69261 1062.01429
1430.0000 -134.36001 -125.64932 8.71068 2.88447 -125.42818 1124.59301
1435.0000 -133.92357 -127.32091 6.60266 2.83403 -126.17536 1088.33838
1440.0000 -135.61820 -127.73669 7.88150 2.72269 -127.82440 983.64410
1445.0000 -136.89702 -127.17204 9.72498 2.77294 -127.08011 1019.11769
1450.0000 -133.51408 -127.48869 6.02540 2.78731 -126.86729 1047.87975
1455.0000 -135.85610 -128.45601 7.40009 2.72257 -127.82614 993.88415
1460.0000 -135.46640 -128.14490 7.32149 2.66307 -128.70738 967.61284
1465.0000 -132.95599 -124.29831 8.65768 2.75964 -127.27703 1024.70644
1470.0000 -135.16083 -126.84240 8.31843 2.88855 -125.36782 1133.78754
1475.0000 -135.78510 -128.42287 7.36223 2.71018 -128.00966 1004.20538
1480.0000 -136.57140 -128.55827 8.01313 2.65305 -128.85585 951.89587
1485.0000 -133.61856 -125.80971 7.80886 2.73222 -127.68321 1019.47243
1490.0000 -134.46321 -126.35107 8.11214 2.92335 -124.85236 1061.22393
1495.0000 -134.10477 -125.39617 8.70860 2.86254 -125.75297 1094.57849
1500.0000 -133.84122 -125.93748 7.90374 2.85938 -125.79977 1144.55428
FREEZING PROCESS: loop number 7 T-loop= 1050.0000000000000
main_MD> interactions number 7 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.21876 -0.89504 -3.06885
force_rgl> df(natom) -0.10562 0.40930 3.69761
1505.0000 -134.11254 -124.23228 9.88026 2.87221 -125.60981 1086.97542
1510.0000 -132.43326 -124.55611 7.87715 2.91105 -125.03452 1163.13783
1515.0000 -133.31592 -125.73796 7.57796 2.86677 -125.69037 1114.14865
1520.0000 -132.14818 -124.29110 7.85708 2.88848 -125.36879 1135.80950
1525.0000 -134.38249 -126.12843 8.25407 2.93590 -124.66647 1108.15186
1530.0000 -132.60146 -123.66424 8.93722 2.96954 -124.16832 1155.57201
1535.0000 -132.46878 -124.86430 7.60447 2.94058 -124.59720 1146.45739
1540.0000 -134.07076 -125.59417 8.47659 2.99862 -123.73761 1185.06028
1545.0000 -133.86298 -125.68856 8.17441 2.87954 -125.50119 1098.38303
1550.0000 -134.13189 -127.32469 6.80720 2.80761 -126.56658 1080.21750
1555.0000 -135.18354 -126.59719 8.58635 2.81476 -126.46065 1037.44098
1560.0000 -133.70687 -125.99336 7.71351 2.82200 -126.35346 1083.51054
1565.0000 -133.88658 -125.79203 8.09456 2.85542 -125.85851 1068.91792
1570.0000 -136.92234 -127.60278 9.31957 2.79179 -126.80088 1040.61909
1575.0000 -136.18220 -128.07757 8.10464 2.78543 -126.89504 1032.97396
1580.0000 -134.87654 -127.61973 7.25680 2.72773 -127.74967 979.10880
1585.0000 -134.76203 -127.58698 7.17504 2.74727 -127.46022 1013.11791
1590.0000 -133.96514 -126.81341 7.15172 2.81735 -126.42239 1098.19741
1595.0000 -133.57946 -125.38000 8.19946 2.81323 -126.48343 1055.53630
1600.0000 -134.95738 -126.49566 8.46172 2.87392 -125.58450 1142.39051
1605.0000 -135.22985 -128.35885 6.87100 2.74076 -127.55672 1005.30153
1610.0000 -135.53370 -127.64043 7.89327 2.71499 -127.93842 990.16710
1615.0000 -135.09896 -127.17730 7.92165 2.77834 -127.00016 1037.02436
1620.0000 -135.04490 -125.00817 10.03673 2.78229 -126.94162 1054.92520
1625.0000 -133.28607 -125.61880 7.66728 2.89800 -125.22777 1090.23712
1630.0000 -134.72268 -127.47921 7.24347 2.79415 -126.76600 1033.32041
1635.0000 -134.47803 -125.97341 8.50462 2.85538 -125.85905 1044.27253
1640.0000 -134.98542 -126.75713 8.22829 2.85343 -125.88800 1085.15428
1645.0000 -134.97644 -128.24259 6.73384 2.81318 -126.48414 1046.87025
1650.0000 -135.03680 -127.78232 7.25448 2.68035 -128.45142 990.47916
1655.0000 -135.37240 -127.37612 7.99628 2.74832 -127.44475 1055.86465
1660.0000 -134.30336 -125.47705 8.82631 2.80131 -126.65996 1066.97020
1665.0000 -136.18844 -127.33173 8.85671 2.78853 -126.84919 1050.92859
1670.0000 -134.32860 -127.89477 6.43384 2.78239 -126.94015 1018.16153
1675.0000 -135.41615 -128.05573 7.36042 2.69486 -128.23649 980.50255
1680.0000 -136.17930 -129.28536 6.89395 2.63584 -129.11061 950.67133
1685.0000 -134.64008 -127.77560 6.86448 2.65960 -128.75872 976.19122
1690.0000 -135.26804 -127.67139 7.59665 2.79688 -126.72545 1021.81658
1695.0000 -135.23192 -128.62665 6.60528 2.71177 -127.98606 977.38425
1700.0000 -135.20413 -127.85109 7.35304 2.72113 -127.84752 998.34726
1705.0000 -133.64218 -127.35775 6.28443 2.69062 -128.29938 964.00799
1710.0000 -133.75583 -124.88600 8.86982 2.79903 -126.69369 1021.18028
1715.0000 -136.35782 -127.39081 8.96700 2.82504 -126.30838 1082.27334
1720.0000 -136.17364 -128.92830 7.24534 2.70425 -128.09745 991.12458
1725.0000 -133.46863 -126.49015 6.97848 2.72265 -127.82499 987.13694
1730.0000 -132.31474 -125.98557 6.32917 2.84627 -125.99397 1120.64238
1735.0000 -133.49789 -124.93324 8.56465 2.90538 -125.11859 1121.79124
1740.0000 -134.86774 -125.15886 9.70888 2.81082 -126.51902 1052.09806
1745.0000 -134.55811 -127.51256 7.04555 2.83050 -126.22754 1093.66191
1750.0000 -134.84970 -128.28993 6.55976 2.74674 -127.46818 1020.59475
FREEZING PROCESS: loop number 8 T-loop= 1025.0000000000000
main_MD> interactions number 8 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64140 1.06516 1.09307
force_rgl> df(natom) 0.25628 -2.10107 2.78252
1755.0000 -134.64926 -127.02930 7.61996 2.72763 -127.75124 1023.49756
1760.0000 -135.76466 -128.39807 7.36659 2.70589 -128.07324 960.96296
1765.0000 -134.70560 -127.59004 7.11555 2.70654 -128.06350 987.24522
1770.0000 -135.23754 -126.82787 8.40967 2.80147 -126.65757 1051.50093
1775.0000 -135.24327 -127.10695 8.13633 2.74477 -127.49736 1008.90581
1780.0000 -134.29310 -127.25777 7.03532 2.77678 -127.02316 1062.26240
1785.0000 -136.55317 -129.81304 6.74014 2.69926 -128.17144 1005.43653
1790.0000 -134.62596 -128.21068 6.41528 2.65803 -128.78199 937.49881
1795.0000 -133.30981 -126.06985 7.23996 2.80825 -126.55717 1063.26693
1800.0000 -133.97176 -125.11295 8.85881 2.81917 -126.39545 1062.66858
1805.0000 -135.64506 -127.45051 8.19455 2.82599 -126.29443 1103.37067
1810.0000 -135.09109 -128.69054 6.40054 2.71329 -127.96352 980.20370
1815.0000 -136.30724 -128.56935 7.73789 2.67722 -128.49774 991.16349
1820.0000 -136.40106 -130.49016 5.91091 2.57760 -129.97334 914.12704
1825.0000 -137.23169 -130.00594 7.22575 2.54021 -130.52712 884.58777
1830.0000 -135.12223 -129.11623 6.00600 2.64827 -128.92653 981.18803
1835.0000 -135.75739 -128.50689 7.25051 2.69067 -128.29860 945.78550
1840.0000 -133.21135 -125.98268 7.22867 2.75604 -127.33045 1029.27645
1845.0000 -133.69465 -126.66779 7.02685 2.81881 -126.40075 1066.20926
1850.0000 -135.18829 -128.66611 6.52218 2.77186 -127.09609 1020.62253
1855.0000 -135.91868 -127.05559 8.86309 2.77112 -127.10706 1051.79190
1860.0000 -135.77568 -128.86980 6.90588 2.77202 -127.09378 1036.66629
1865.0000 -135.68044 -127.86531 7.81513 2.65074 -128.89005 946.93364
1870.0000 -134.80401 -127.59038 7.21362 2.73984 -127.57029 997.11760
1875.0000 -135.73554 -127.64026 8.09528 2.75262 -127.38112 1026.49050
1880.0000 -136.35619 -129.42299 6.93320 2.67229 -128.57077 954.96603
1885.0000 -134.55208 -129.04713 5.50495 2.63662 -129.09915 931.52674
1890.0000 -134.96945 -126.91121 8.05823 2.68580 -128.37065 981.22422
1895.0000 -135.34609 -128.63841 6.70768 2.74381 -127.51155 1012.12153
1900.0000 -136.02904 -128.77838 7.25066 2.65153 -128.87832 949.08237
1905.0000 -135.03738 -127.73579 7.30159 2.70155 -128.13742 987.50526
1910.0000 -134.48432 -126.23804 8.24628 2.81006 -126.53036 1064.67961
1915.0000 -133.89674 -126.92390 6.97284 2.82178 -126.35674 1059.62358
1920.0000 -134.44258 -126.96454 7.47803 2.79391 -126.76945 1039.26383
1925.0000 -135.37418 -128.74880 6.62538 2.73709 -127.61106 1002.93424
1930.0000 -135.22997 -128.43264 6.79733 2.67230 -128.57066 970.14887
1935.0000 -137.31401 -129.40945 7.90456 2.70854 -128.03395 993.41654
1940.0000 -134.97984 -127.84963 7.13021 2.63726 -129.08969 917.63318
1945.0000 -135.25976 -127.24589 8.01387 2.77112 -127.10704 995.40624
1950.0000 -135.23280 -126.68817 8.54463 2.77103 -127.10838 1043.57587
1955.0000 -135.24625 -127.79932 7.44693 2.75752 -127.30850 1036.61004
1960.0000 -132.63858 -125.35197 7.28661 2.79451 -126.76061 1064.01813
1965.0000 -135.15199 -127.45476 7.69723 2.81242 -126.49540 1080.83550
1970.0000 -135.04726 -127.70557 7.34169 2.78001 -126.97532 1073.23196
1975.0000 -134.93597 -126.96899 7.96698 2.79911 -126.69251 1028.82508
1980.0000 -134.39413 -126.08724 8.30690 2.84866 -125.95860 1114.43956
1985.0000 -134.33170 -124.95038 9.38132 2.80726 -126.57181 1045.45448
1990.0000 -134.29439 -127.00719 7.28719 2.84066 -126.07713 1061.10629
1995.0000 -134.22266 -126.09446 8.12820 2.79675 -126.72745 1057.09067
2000.0000 -133.39765 -124.23530 9.16236 2.86545 -125.70992 1098.38425
FREEZING PROCESS: loop number 9 T-loop= 1000.0000000000000
main_MD> interactions number 9 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55864 -4.16773 -3.21753
force_rgl> df(natom) 3.52073 -0.41360 -0.27858
2005.0000 -136.95132 -127.93863 9.01269 2.80879 -126.54917 1113.24119
2010.0000 -134.89708 -126.69134 8.20574 2.78215 -126.94369 1064.54721
2015.0000 -133.26121 -126.15630 7.10491 2.83222 -126.20203 1054.65456
2020.0000 -133.29133 -125.72238 7.56894 2.84749 -125.97592 1090.41269
2025.0000 -134.46855 -127.53552 6.93303 2.81156 -126.50814 1047.32147
2030.0000 -135.17980 -128.08255 7.09725 2.75191 -127.39158 1013.88897
2035.0000 -133.86939 -127.47031 6.39908 2.71217 -127.98016 967.52935
2040.0000 -133.87044 -126.60794 7.26250 2.79509 -126.75203 1055.58517
2045.0000 -134.38642 -126.72330 7.66312 2.81560 -126.44822 1091.55330
2050.0000 -134.30075 -125.15433 9.14642 2.79526 -126.74945 1072.70039
2055.0000 -134.46038 -127.15588 7.30450 2.86321 -125.74308 1136.33000
2060.0000 -133.98309 -128.16686 5.81623 2.73301 -127.67146 1000.78219
2065.0000 -135.79136 -128.72401 7.06735 2.69165 -128.28413 980.39124
2070.0000 -135.63131 -127.26531 8.36600 2.72486 -127.79213 999.63911
2075.0000 -135.79378 -128.56314 7.23063 2.73450 -127.64947 1015.48988
2080.0000 -134.21821 -127.92968 6.28853 2.71427 -127.94911 1027.22527
2085.0000 -136.28714 -128.12923 8.15792 2.71256 -127.97438 992.88081
2090.0000 -134.28918 -126.44977 7.83941 2.75552 -127.33815 1016.95874
2095.0000 -135.13202 -127.48443 7.64759 2.74653 -127.47129 1046.00844
2100.0000 -135.65218 -129.30710 6.34508 2.68951 -128.31583 939.73435
2105.0000 -134.75437 -128.84343 5.91095 2.62716 -129.23930 935.26439
2110.0000 -136.13532 -126.23363 9.90169 2.74091 -127.55449 1008.29214
2115.0000 -135.71607 -128.25369 7.46237 2.70845 -128.03522 1001.94004
2120.0000 -133.82433 -126.96168 6.86265 2.78374 -126.92018 1051.26979
2125.0000 -134.06855 -125.61542 8.45314 2.83577 -126.14946 1091.94182
2130.0000 -134.64960 -126.93604 7.71356 2.79417 -126.76569 1086.29363
2135.0000 -136.70936 -128.97141 7.73795 2.69760 -128.19595 1003.18668
2140.0000 -134.57411 -127.70921 6.86490 2.65752 -128.78957 955.66447
2145.0000 -136.70028 -128.71881 7.98147 2.70877 -128.03046 940.31466
2150.0000 -134.52547 -127.56242 6.96305 2.62153 -129.32261 927.76833
2155.0000 -135.50847 -128.82833 6.68014 2.72728 -127.75642 1030.43485
2160.0000 -137.04602 -129.31652 7.72950 2.60126 -129.62279 931.61490
2165.0000 -135.84021 -128.04313 7.79708 2.65131 -128.88161 967.59531
2170.0000 -135.50862 -128.34729 7.16133 2.70906 -128.02618 991.29863
2175.0000 -133.95026 -125.98480 7.96546 2.78261 -126.93691 1042.82030
2180.0000 -134.80164 -128.13934 6.66231 2.74219 -127.53558 1009.26543
2185.0000 -133.98478 -127.73185 6.25294 2.70362 -128.10674 973.21820
2190.0000 -134.25834 -127.04606 7.21227 2.72139 -127.84357 990.01557
2195.0000 -133.85046 -126.50076 7.34970 2.79427 -126.76412 1033.45557
2200.0000 -133.16906 -125.99592 7.17315 2.84593 -125.99898 1085.06794
2205.0000 -135.27247 -127.36878 7.90369 2.80187 -126.65159 1046.97082
2210.0000 -136.62614 -128.91918 7.70696 2.69748 -128.19780 970.32983
2215.0000 -136.38682 -128.65738 7.72943 2.67268 -128.56511 971.15839
2220.0000 -135.86023 -128.05450 7.80573 2.71821 -127.89069 991.13268
2225.0000 -135.49500 -127.87549 7.61951 2.72090 -127.85082 986.56201
2230.0000 -135.43634 -127.30629 8.13005 2.70468 -128.09109 995.67988
2235.0000 -134.89911 -127.52748 7.37163 2.77741 -127.01396 1063.74371
2240.0000 -135.07284 -127.97123 7.10161 2.70035 -128.15529 1005.66580
2245.0000 -134.50283 -126.87380 7.62903 2.77223 -127.09057 1095.00525
2250.0000 -136.01626 -127.93488 8.08138 2.74726 -127.46042 1015.13122
FREEZING PROCESS: loop number 10 T-loop= 975.00000000000000
main_MD> interactions number 10 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53780 0.20146 -1.28216
force_rgl> df(natom) 0.14942 -2.28827 -2.62396
2255.0000 -136.46878 -128.90840 7.56038 2.62588 -129.25817 954.08262
2260.0000 -136.60971 -131.58989 5.01981 2.62075 -129.33412 928.01956
2265.0000 -135.81359 -128.98934 6.82425 2.59149 -129.76761 925.10735
2270.0000 -135.76235 -129.27850 6.48385 2.66770 -128.63884 962.79845
2275.0000 -135.80759 -128.38290 7.42469 2.66533 -128.67391 950.52009
2280.0000 -135.12876 -127.42281 7.70595 2.69342 -128.25785 960.67159
2285.0000 -133.12030 -126.69132 6.42899 2.77174 -127.09784 1040.72765
2290.0000 -134.87630 -128.85730 6.01901 2.73811 -127.59597 976.56454
2295.0000 -136.67884 -128.76687 7.91197 2.68358 -128.40357 979.15588
2300.0000 -133.92167 -126.67393 7.24774 2.67716 -128.49862 976.91632
2305.0000 -135.48023 -129.01260 6.46763 2.75794 -127.30226 1019.15690
2310.0000 -134.92342 -128.48983 6.43359 2.63731 -129.08894 939.12591
2315.0000 -134.89729 -128.81717 6.08013 2.68179 -128.43014 980.80469
2320.0000 -134.08490 -126.50999 7.57492 2.75406 -127.35977 1025.15516
2325.0000 -134.83615 -125.27885 9.55730 2.82202 -126.35320 1023.14167
2330.0000 -133.26558 -124.27253 8.99306 3.01966 -123.42588 1202.54155
2335.0000 -134.38604 -127.04279 7.34325 2.86065 -125.78095 1118.14169
2340.0000 -135.00411 -127.28224 7.72186 2.78817 -126.85456 1039.90013
2345.0000 -136.60712 -128.37270 8.23442 2.71962 -127.86986 993.96959
2350.0000 -136.08614 -129.51449 6.57165 2.60230 -129.60743 912.58794
2355.0000 -135.78415 -129.59262 6.19152 2.67436 -128.54019 995.84067
2360.0000 -134.15180 -126.72059 7.43121 2.77289 -127.08087 1036.46006
2365.0000 -136.43758 -129.19872 7.23886 2.69799 -128.19023 1000.55257
2370.0000 -136.02800 -128.28840 7.73960 2.71096 -127.99803 985.56623
2375.0000 -134.96295 -128.40189 6.56106 2.67197 -128.57558 987.77273
2380.0000 -135.98216 -129.03741 6.94475 2.64145 -129.02763 986.50539
2385.0000 -136.25420 -128.49354 7.76066 2.70131 -128.14107 973.05883
2390.0000 -134.53548 -128.49321 6.04227 2.74240 -127.53247 993.01161
2395.0000 -135.33094 -128.20779 7.12315 2.69592 -128.22081 967.06722
2400.0000 -133.88967 -127.52040 6.36927 2.75687 -127.31806 1017.46659
2405.0000 -136.20190 -128.57677 7.62513 2.73167 -127.69136 1019.44134
2410.0000 -135.48591 -128.90941 6.57649 2.64719 -128.94254 912.90215
2415.0000 -135.10923 -128.83873 6.27050 2.68509 -128.38126 967.62745
2420.0000 -135.74879 -128.50701 7.24178 2.68878 -128.32654 982.46621
2425.0000 -135.71515 -128.94367 6.77148 2.62719 -129.23880 915.73015
2430.0000 -134.91819 -129.10929 5.80889 2.68945 -128.31668 1013.14180
2435.0000 -137.17920 -130.16964 7.00956 2.58312 -129.89149 910.01885
2440.0000 -134.71432 -127.57517 7.13915 2.61554 -129.41135 928.41267
2445.0000 -136.28542 -127.45805 8.82738 2.72681 -127.76328 995.02713
2450.0000 -135.74783 -129.51790 6.22992 2.69558 -128.22592 986.97774
2455.0000 -136.31025 -129.82839 6.48186 2.59918 -129.65372 908.79254
2460.0000 -135.75661 -129.76332 5.99329 2.59354 -129.73720 922.27911
2465.0000 -137.33934 -130.54112 6.79822 2.59041 -129.78361 889.47487
2470.0000 -136.68026 -130.92673 5.75353 2.55281 -130.34048 891.51153
2475.0000 -136.18462 -129.43223 6.75239 2.59638 -129.69510 898.85246
2480.0000 -137.35600 -130.25300 7.10300 2.57441 -130.02044 881.65636
2485.0000 -136.91690 -129.60258 7.31432 2.53233 -130.64378 868.01137
2490.0000 -134.57680 -127.43950 7.13730 2.69972 -128.16451 941.47572
2495.0000 -134.77775 -127.70466 7.07309 2.75988 -127.27357 1020.15586
2500.0000 -135.01500 -128.51697 6.49803 2.66802 -128.63411 948.48448
FREEZING PROCESS: loop number 11 T-loop= 950.00000000000000
main_MD> interactions number 11 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33188 1.03200 0.75616
force_rgl> df(natom) -1.07456 -1.33522 2.92458
2505.0000 -137.84295 -130.43398 7.40897 2.59615 -129.69854 927.47691
2510.0000 -135.40787 -127.38440 8.02347 2.60533 -129.56254 938.03640
2515.0000 -135.25595 -127.83935 7.41660 2.74773 -127.45353 1046.57980
2520.0000 -135.00727 -127.79661 7.21066 2.71054 -128.00428 992.05933
2525.0000 -134.03645 -127.87723 6.15923 2.75804 -127.30076 1005.10438
2530.0000 -135.45989 -128.60095 6.85894 2.65519 -128.82414 934.35216
2535.0000 -137.00839 -130.19067 6.81772 2.61768 -129.37961 903.94710
2540.0000 -134.22277 -127.81205 6.41072 2.57186 -130.05833 901.35391
2545.0000 -135.83941 -129.76191 6.07750 2.69783 -128.19251 941.31813
2550.0000 -135.09176 -128.81189 6.27986 2.59558 -129.70690 894.16645
2555.0000 -134.74961 -127.11068 7.63893 2.72374 -127.80878 1027.94898
2560.0000 -134.63458 -127.67354 6.96104 2.73927 -127.57876 985.47101
2565.0000 -135.31929 -127.91028 7.40900 2.73708 -127.61118 990.92253
2570.0000 -133.05482 -125.48299 7.57183 2.82729 -126.27505 1093.22117
2575.0000 -135.77197 -128.00168 7.77029 2.77897 -126.99083 1039.63267
2580.0000 -136.53522 -128.49913 8.03609 2.68954 -128.31533 987.42286
2585.0000 -136.21259 -129.31043 6.90216 2.64359 -128.99582 965.13897
2590.0000 -136.49102 -128.45144 8.03958 2.63080 -129.18538 904.11964
2595.0000 -136.12685 -129.74343 6.38341 2.62133 -129.32560 947.71731
2600.0000 -135.92398 -128.40746 7.51652 2.59426 -129.72646 917.99562
2605.0000 -134.42196 -127.00430 7.41766 2.72418 -127.80225 1020.91070
2610.0000 -134.54414 -126.98915 7.55499 2.77036 -127.11826 1045.53051
2615.0000 -134.80172 -128.04318 6.75854 2.74217 -127.53581 1013.81355
2620.0000 -135.72879 -128.38780 7.34099 2.66602 -128.66361 972.18532
2625.0000 -136.14130 -129.84762 6.29368 2.74805 -127.44872 993.89785
2630.0000 -135.35950 -128.86003 6.49947 2.59718 -129.68323 927.65083
2635.0000 -136.40402 -129.53220 6.87183 2.65335 -128.85127 930.81824
2640.0000 -135.69896 -128.67320 7.02576 2.60880 -129.51114 869.58910
2645.0000 -135.02688 -127.84473 7.18215 2.73551 -127.63451 993.73288
2650.0000 -134.84628 -128.25341 6.59287 2.72237 -127.82912 990.36819
2655.0000 -135.59915 -128.63954 6.95961 2.65301 -128.85630 946.46583
2660.0000 -135.97558 -128.37873 7.59685 2.68375 -128.40112 975.76403
2665.0000 -137.67401 -131.00890 6.66511 2.60587 -129.55450 912.52754
2670.0000 -136.89367 -130.38388 6.50979 2.52271 -130.78626 871.08930
2675.0000 -135.96289 -128.60494 7.35795 2.59277 -129.74855 916.19002
2680.0000 -134.68668 -129.03657 5.65011 2.60270 -129.60148 916.41018
2685.0000 -136.39306 -128.66047 7.73259 2.69491 -128.23583 999.97934
2690.0000 -135.33405 -128.65823 6.67582 2.67139 -128.58415 959.17275
2695.0000 -136.43428 -128.48247 7.95181 2.64863 -128.92119 932.53667
2700.0000 -136.68904 -130.56001 6.12903 2.60727 -129.53378 923.75070
2705.0000 -137.66140 -130.43259 7.22881 2.54348 -130.47857 850.56053
2710.0000 -135.50074 -130.07884 5.42190 2.57641 -129.99091 914.50306
2715.0000 -137.05094 -129.64059 7.41035 2.55365 -130.32803 914.43177
2720.0000 -136.96017 -128.32867 8.63150 2.60068 -129.63148 922.42656
2725.0000 -135.53830 -127.38631 8.15199 2.71037 -128.00682 979.35551
2730.0000 -136.64696 -131.10608 5.54087 2.57888 -129.95433 890.64015
2735.0000 -137.53266 -131.34628 6.18638 2.45275 -131.82238 792.75638
2740.0000 -134.36386 -128.66044 5.70342 2.55992 -130.23514 856.59317
2745.0000 -135.80218 -128.97697 6.82521 2.68208 -128.42578 960.42824
2750.0000 -135.51540 -127.06349 8.45191 2.69661 -128.21064 968.97137
FREEZING PROCESS: loop number 12 T-loop= 925.00000000000000
main_MD> interactions number 12 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34863 2.80606 1.13858
force_rgl> df(natom) -1.87556 -0.78913 0.60626
2755.0000 -138.20902 -131.47100 6.73801 2.57588 -129.99875 914.66814
2760.0000 -137.10774 -129.20677 7.90097 2.53729 -130.57029 863.38154
2765.0000 -137.79844 -131.15656 6.64188 2.58852 -129.81157 884.37577
2770.0000 -135.74911 -129.56247 6.18664 2.54772 -130.41577 859.81475
2775.0000 -136.58215 -128.73683 7.84532 2.66234 -128.71817 944.78004
2780.0000 -135.97143 -129.33404 6.63739 2.64241 -129.01343 938.51016
2785.0000 -135.33882 -128.46986 6.86896 2.64402 -128.98950 933.44301
2790.0000 -133.99574 -126.84781 7.14793 2.67927 -128.46747 981.72298
2795.0000 -136.03170 -128.08109 7.95061 2.73171 -127.69079 973.43583
2800.0000 -137.05381 -129.84317 7.21065 2.61273 -129.45295 937.09099
2805.0000 -136.23821 -130.04755 6.19067 2.56863 -130.10606 915.04078
2810.0000 -136.65200 -130.88450 5.76750 2.52304 -130.78131 847.58822
2815.0000 -135.95642 -129.66123 6.29519 2.59541 -129.70952 941.28649
2820.0000 -137.75140 -130.82959 6.92181 2.52500 -130.75227 855.50547
2825.0000 -136.71241 -128.20645 8.50596 2.65120 -128.88315 960.09518
2830.0000 -135.59680 -126.71579 8.88101 2.73732 -127.60764 1019.53994
2835.0000 -136.02772 -129.18623 6.84149 2.76449 -127.20520 1036.26216
2840.0000 -136.29922 -129.27417 7.02506 2.62136 -129.32520 926.08242
2845.0000 -135.43381 -128.64912 6.78469 2.69023 -128.30516 970.02810
2850.0000 -136.50633 -128.68330 7.82302 2.64775 -128.93435 956.42411
2855.0000 -137.53119 -132.08400 5.44719 2.59494 -129.71643 904.07267
2860.0000 -136.32677 -129.40225 6.92452 2.56426 -130.17087 886.52809
2865.0000 -136.59325 -129.40117 7.19208 2.58801 -129.81905 889.59821
2870.0000 -136.49002 -128.81286 7.67716 2.63170 -129.17193 950.00776
2875.0000 -136.82674 -129.95729 6.86945 2.59200 -129.75999 919.33107
2880.0000 -136.91290 -130.28584 6.62706 2.60145 -129.62001 908.98259
2885.0000 -136.39688 -130.12666 6.27022 2.57989 -129.93940 896.04409
2890.0000 -135.06656 -126.07183 8.99473 2.67370 -128.54995 949.17366
2895.0000 -135.57017 -126.70905 8.86112 2.76674 -127.17196 1010.30323
2900.0000 -134.01435 -127.54431 6.47004 2.79478 -126.75665 1063.90972
2905.0000 -135.76513 -128.83986 6.92527 2.67552 -128.52299 940.24445
2910.0000 -135.95978 -130.21992 5.73986 2.60405 -129.58146 891.05818
2915.0000 -134.81340 -128.52975 6.28365 2.60058 -129.63286 929.71772
2920.0000 -135.35632 -128.28534 7.07098 2.62629 -129.25213 894.34780
2925.0000 -136.07574 -128.86064 7.21510 2.68129 -128.43758 963.78834
2930.0000 -136.80475 -129.02762 7.77713 2.63628 -129.10419 936.11584
2935.0000 -134.14743 -128.45204 5.69539 2.72854 -127.73770 995.94125
2940.0000 -136.17581 -129.38725 6.78856 2.61381 -129.43700 932.15399
2945.0000 -136.90377 -130.42450 6.47927 2.57943 -129.94623 926.42559
2950.0000 -135.69021 -130.27749 5.41273 2.57655 -129.98885 922.79059
2955.0000 -137.92883 -130.43457 7.49426 2.51031 -130.96990 838.29745
2960.0000 -136.68113 -129.47420 7.20694 2.52946 -130.68623 873.96260
2965.0000 -135.67985 -129.05479 6.62506 2.61736 -129.38438 949.88834
2970.0000 -136.60334 -128.32736 8.27598 2.68259 -128.41832 964.54271
2975.0000 -134.68444 -128.03558 6.64886 2.67728 -128.49685 967.63845
2980.0000 -135.92216 -128.60121 7.32095 2.69300 -128.26410 986.36042
2985.0000 -135.07213 -128.14459 6.92754 2.64967 -128.90590 937.37120
2990.0000 -134.95539 -129.27430 5.68109 2.64934 -128.91075 949.06277
2995.0000 -136.65724 -129.04965 7.60760 2.66691 -128.65045 939.69743
3000.0000 -133.26548 -126.25053 7.01495 2.73685 -127.61467 978.69011
FREEZING PROCESS: loop number 13 T-loop= 900.00000000000000
main_MD> interactions number 13 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.67857 0.43759 -0.50359
force_rgl> df(natom) -3.66900 -0.97116 -0.34880
3005.0000 -137.14699 -129.13527 8.01172 2.68990 -128.31007 985.50360
3010.0000 -136.15681 -129.49221 6.66461 2.69184 -128.28123 1000.21515
3015.0000 -135.16142 -128.79524 6.36618 2.68058 -128.44811 939.72866
3020.0000 -136.58907 -129.42464 7.16443 2.62249 -129.30842 899.02290
3025.0000 -136.67126 -130.36123 6.31003 2.55732 -130.27366 841.42586
3030.0000 -137.52912 -129.41113 8.11799 2.63374 -129.14183 979.04268
3035.0000 -137.19648 -129.13835 8.05812 2.61208 -129.46265 906.27698
3040.0000 -136.82112 -130.40834 6.41279 2.55086 -130.36926 870.01015
3045.0000 -136.47695 -128.91158 7.56537 2.65077 -128.88957 959.76539
3050.0000 -137.19845 -129.51625 7.68220 2.63310 -129.15121 976.40372
3055.0000 -138.44589 -130.47249 7.97340 2.60847 -129.51600 935.83871
3060.0000 -136.50285 -130.48864 6.01420 2.51459 -130.90645 883.37670
3065.0000 -135.89679 -129.53828 6.35851 2.56310 -130.18795 900.35443
3070.0000 -136.18958 -130.46109 5.72849 2.60462 -129.57310 911.93850
3075.0000 -135.36820 -129.21318 6.15502 2.59153 -129.76700 906.93267
3080.0000 -136.40076 -128.88874 7.51202 2.61735 -129.38453 939.55668
3085.0000 -136.10776 -129.83599 6.27177 2.62150 -129.32304 960.47302
3090.0000 -135.49660 -128.76401 6.73259 2.59625 -129.69707 952.70256
3095.0000 -136.79735 -130.05468 6.74267 2.59991 -129.64286 921.44038
3100.0000 -137.46694 -130.81454 6.65240 2.54202 -130.50020 852.47516
3105.0000 -136.37466 -129.43328 6.94138 2.59859 -129.66242 919.23314
3110.0000 -136.61966 -130.33773 6.28193 2.59203 -129.75947 868.23424
3115.0000 -136.55327 -129.95813 6.59513 2.59458 -129.72171 927.94553
3120.0000 -135.32793 -130.04560 5.28233 2.57671 -129.98646 872.35554
3125.0000 -137.05084 -131.44254 5.60830 2.56994 -130.08673 878.94862
3130.0000 -136.04589 -130.36045 5.68544 2.49154 -131.24783 825.49065
3135.0000 -137.21356 -130.74486 6.46870 2.56489 -130.16152 887.53968
3140.0000 -136.88806 -129.87244 7.01563 2.56284 -130.19191 896.93141
3145.0000 -135.73521 -129.63788 6.09733 2.57062 -130.07659 919.02111
3150.0000 -135.87210 -130.66006 5.21204 2.57898 -129.95277 915.81555
3155.0000 -137.30197 -131.65288 5.64909 2.46385 -131.65805 769.01293
3160.0000 -137.04009 -131.22075 5.81934 2.52556 -130.74403 879.49981
3165.0000 -136.83987 -129.70948 7.13039 2.54802 -130.41132 875.94665
3170.0000 -137.61321 -131.88581 5.72740 2.54674 -130.43034 870.06944
3175.0000 -136.26526 -130.80233 5.46294 2.52257 -130.78833 855.37558
3180.0000 -134.59105 -126.76378 7.82727 2.62766 -129.23185 917.37594
3185.0000 -135.60870 -128.02111 7.58760 2.71739 -127.90290 1016.73594
3190.0000 -135.60896 -128.49434 7.11462 2.69243 -128.27259 988.50741
3195.0000 -137.80942 -130.64173 7.16769 2.63116 -129.17995 973.02241
3200.0000 -135.80228 -128.70161 7.10067 2.58561 -129.85457 912.44258
3205.0000 -136.22543 -130.29619 5.92924 2.56582 -130.14781 885.35912
3210.0000 -136.74485 -130.46124 6.28361 2.53572 -130.59356 880.68488
3215.0000 -136.27407 -129.38846 6.88561 2.58964 -129.79494 868.79218
3220.0000 -135.47268 -129.21164 6.26104 2.62893 -129.21306 937.52456
3225.0000 -136.94561 -130.61982 6.32579 2.58195 -129.90887 908.60911
3230.0000 -137.45916 -132.18861 5.27055 2.48048 -131.41176 862.77314
3235.0000 -137.22021 -130.30482 6.91540 2.48638 -131.32432 848.97408
3240.0000 -135.65227 -130.55532 5.09694 2.56701 -130.13018 881.32193
3245.0000 -136.77967 -130.37893 6.40075 2.51895 -130.84187 838.71527
3250.0000 -136.84008 -130.33973 6.50034 2.52532 -130.74757 838.75377
FREEZING PROCESS: loop number 14 T-loop= 875.00000000000000
main_MD> interactions number 14 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.10418 1.17704 -0.81793
force_rgl> df(natom) -0.76345 -1.59496 -2.83160
3255.0000 -137.57597 -130.66742 6.90855 2.55401 -130.32262 854.68799
3260.0000 -135.69488 -129.77798 5.91690 2.62331 -129.29624 953.11867
3265.0000 -136.20368 -129.32350 6.88018 2.59998 -129.64177 888.69699
3270.0000 -136.34675 -129.85748 6.48927 2.58232 -129.90341 925.50361
3275.0000 -136.72445 -130.25800 6.46645 2.54756 -130.41816 871.16238
3280.0000 -135.90172 -129.14529 6.75642 2.57973 -129.94179 900.31169
3285.0000 -137.04811 -130.78244 6.26567 2.58541 -129.85756 876.36891
3290.0000 -137.21518 -130.47848 6.73670 2.53596 -130.58994 863.07513
3295.0000 -137.78972 -132.38140 5.40832 2.48122 -131.40074 807.88267
3300.0000 -137.06478 -131.18349 5.88129 2.41498 -132.38186 766.84046
3305.0000 -136.20907 -130.57564 5.63343 2.54633 -130.43636 852.46594
3310.0000 -137.86484 -132.19496 5.66988 2.53193 -130.64975 845.84226
3315.0000 -137.56346 -130.99474 6.56872 2.48490 -131.34621 832.24344
3320.0000 -137.34211 -130.37472 6.96740 2.50223 -131.08956 843.68557
3325.0000 -136.83803 -130.42738 6.41066 2.54885 -130.39905 882.36804
3330.0000 -137.15023 -131.26605 5.88417 2.54639 -130.43557 874.74501
3335.0000 -136.95870 -129.18085 7.77784 2.53164 -130.65397 872.55157
3340.0000 -136.83119 -129.55888 7.27232 2.61471 -129.42366 934.15207
3345.0000 -137.53629 -131.75062 5.78567 2.57627 -129.99301 934.11076
3350.0000 -138.04499 -131.04993 6.99506 2.44832 -131.88802 813.02081
3355.0000 -136.97162 -131.02252 5.94910 2.49830 -131.14782 852.42190
3360.0000 -137.97966 -130.77544 7.20422 2.47658 -131.46954 823.65364
3365.0000 -135.37681 -128.79185 6.58496 2.54659 -130.43256 858.08819
3370.0000 -138.05581 -132.37613 5.67968 2.53491 -130.60559 861.92556
3375.0000 -138.13201 -131.17217 6.95984 2.49120 -131.25295 839.80580
3380.0000 -135.01161 -128.30440 6.70721 2.58059 -129.92899 909.72532
3385.0000 -135.99315 -128.09678 7.89637 2.68624 -128.36418 973.11381
3390.0000 -137.11278 -131.10621 6.00658 2.62758 -129.23301 940.79834
3395.0000 -137.20789 -130.87071 6.33717 2.48241 -131.38315 850.49208
3400.0000 -137.39536 -130.21882 7.17654 2.58774 -129.82310 905.89484
3405.0000 -136.57344 -130.58715 5.98629 2.54434 -130.46592 861.60155
3410.0000 -135.18538 -130.37396 4.81141 2.58400 -129.87846 877.56202
3415.0000 -136.89033 -129.72834 7.16199 2.57312 -130.03956 885.26483
3420.0000 -137.45875 -131.50853 5.95022 2.54525 -130.45247 897.18066
3425.0000 -137.97151 -131.14002 6.83149 2.50515 -131.04626 846.76355
3430.0000 -138.76883 -132.06200 6.70683 2.48258 -131.38066 809.32827
3435.0000 -135.54132 -129.87711 5.66421 2.48769 -131.30488 851.10319
3440.0000 -137.27064 -130.01094 7.25970 2.59011 -129.78804 867.21386
3445.0000 -136.97092 -130.86198 6.10893 2.57305 -130.04061 875.07270
3450.0000 -136.84414 -130.50506 6.33908 2.56193 -130.20533 875.83465
3455.0000 -137.72215 -131.54736 6.17480 2.49438 -131.20588 855.14924
3460.0000 -137.55699 -131.71328 5.84370 2.48957 -131.27709 794.10495
3465.0000 -138.48348 -132.46900 6.01448 2.43670 -132.06017 789.27883
3470.0000 -137.61778 -131.92036 5.69742 2.43736 -132.05035 823.98800
3475.0000 -137.40664 -131.14554 6.26110 2.48852 -131.29263 854.14498
3480.0000 -136.37035 -130.37958 5.99077 2.51959 -130.83247 841.86349
3485.0000 -136.19404 -129.75392 6.44012 2.54384 -130.47330 896.09807
3490.0000 -136.75016 -129.68890 7.06126 2.54134 -130.51029 841.30671
3495.0000 -137.40963 -130.09673 7.31291 2.54819 -130.40893 870.84209
3500.0000 -136.76936 -129.56333 7.20602 2.57616 -129.99455 895.45661
FREEZING PROCESS: loop number 15 T-loop= 850.00000000000000
main_MD> interactions number 15 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49619 -3.63669 -0.69186
force_rgl> df(natom) 1.25750 -0.26635 -0.99199
3505.0000 -137.81981 -132.32450 5.49531 2.49795 -131.15292 812.71680
3510.0000 -138.52341 -131.86948 6.65393 2.46635 -131.62105 830.99388
3515.0000 -138.07800 -132.17681 5.90119 2.46052 -131.70735 822.37719
3520.0000 -138.38215 -132.82892 5.55323 2.37744 -132.93789 767.62064
3525.0000 -138.86227 -134.00281 4.85946 2.32350 -133.73670 704.51485
3530.0000 -138.57400 -132.30313 6.27087 2.40457 -132.53596 768.08581
3535.0000 -136.93835 -130.75685 6.18150 2.43683 -132.05819 811.23161
3540.0000 -138.12230 -132.05000 6.07230 2.50452 -131.05569 830.82532
3545.0000 -136.74586 -131.46769 5.27816 2.41517 -132.37909 762.87578
3550.0000 -137.02321 -130.80840 6.21480 2.51033 -130.96957 835.06333
3555.0000 -135.44016 -129.88574 5.55441 2.54346 -130.47892 854.78636
3560.0000 -136.72419 -129.70431 7.01989 2.57454 -130.01861 885.34056
3565.0000 -137.80755 -131.22045 6.58710 2.54028 -130.52601 866.20412
3570.0000 -137.54108 -132.50174 5.03934 2.44554 -131.92921 812.82081
3575.0000 -138.20950 -132.57498 5.63452 2.39399 -132.69273 788.71883
3580.0000 -137.42261 -131.61461 5.80800 2.38857 -132.77305 752.79707
3585.0000 -138.28059 -131.70316 6.57743 2.42337 -132.25764 821.70643
3590.0000 -136.81392 -130.61033 6.20358 2.54352 -130.47802 851.40294
3595.0000 -138.47584 -131.84573 6.63011 2.49612 -131.18001 850.36451
3600.0000 -137.15653 -131.21814 5.93838 2.47588 -131.47989 837.46179
3605.0000 -138.03177 -131.35811 6.67366 2.50241 -131.08690 863.30658
3610.0000 -137.52871 -130.81430 6.71441 2.51286 -130.93214 872.39131
3615.0000 -137.09128 -130.62325 6.46803 2.52094 -130.81246 873.50793
3620.0000 -137.86153 -130.80601 7.05552 2.54233 -130.49558 895.61539
3625.0000 -138.01300 -130.73318 7.27982 2.51880 -130.84421 804.46731
3630.0000 -136.14281 -131.07985 5.06296 2.47315 -131.52034 831.37778
3635.0000 -137.06355 -130.76862 6.29493 2.50395 -131.06405 869.21501
3640.0000 -137.76908 -131.70953 6.05955 2.46689 -131.61301 798.26430
3645.0000 -136.72207 -130.53321 6.18887 2.56495 -130.16064 872.19445
3650.0000 -136.60768 -130.83394 5.77374 2.54751 -130.41888 849.33316
3655.0000 -137.90553 -131.46516 6.44038 2.49890 -131.13885 815.76564
3660.0000 -136.17285 -129.95004 6.22281 2.57820 -129.96445 908.15620
3665.0000 -136.60423 -129.40786 7.19637 2.57452 -130.01889 904.05087
3670.0000 -138.43233 -132.17121 6.26112 2.52040 -130.82049 824.45829
3675.0000 -136.42375 -129.75010 6.67366 2.47979 -131.42196 820.10078
3680.0000 -135.52021 -129.55521 5.96500 2.57905 -129.95185 896.56948
3685.0000 -137.09093 -131.62054 5.47039 2.54545 -130.44939 848.38441
3690.0000 -136.96679 -130.33012 6.63666 2.46603 -131.62576 836.03312
3695.0000 -137.09754 -130.05787 7.03967 2.58072 -129.92704 909.90100
3700.0000 -137.44949 -131.82151 5.62797 2.51263 -130.93556 857.00190
3705.0000 -135.02160 -129.27579 5.74581 2.53657 -130.58101 858.11486
3710.0000 -136.47024 -129.99550 6.47474 2.59723 -129.68252 926.81453
3715.0000 -136.77989 -129.44414 7.33575 2.59117 -129.77234 923.18331
3720.0000 -135.05201 -128.52730 6.52471 2.62959 -129.20325 947.78397
3725.0000 -136.25333 -129.34654 6.90679 2.67694 -128.50196 966.88788
3730.0000 -135.83948 -129.11277 6.72670 2.62637 -129.25090 943.00308
3735.0000 -135.30794 -129.30586 6.00208 2.65732 -128.79260 944.65733
3740.0000 -136.61191 -130.64620 5.96570 2.54153 -130.50744 884.52217
3745.0000 -138.01024 -131.83458 6.17566 2.47636 -131.47276 784.74504
3750.0000 -136.89035 -130.73968 6.15067 2.46527 -131.63697 806.65683
FREEZING PROCESS: loop number 16 T-loop= 825.00000000000000
main_MD> interactions number 16 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.05736 6.68075 -0.40270
force_rgl> df(natom) 3.79172 -7.09766 0.44194
3755.0000 -139.24647 -133.84533 5.40113 2.44365 -131.95722 795.47288
3760.0000 -138.97732 -133.34681 5.63052 2.33715 -133.53455 726.20586
3765.0000 -138.99521 -132.99724 5.99796 2.40848 -132.47805 809.58660
3770.0000 -137.86698 -132.13694 5.73004 2.41063 -132.44619 785.43385
3775.0000 -136.57567 -131.14295 5.43272 2.45332 -131.81403 781.70958
3780.0000 -138.31143 -131.93826 6.37317 2.47118 -131.54938 829.17556
3785.0000 -137.68482 -131.61082 6.07400 2.49209 -131.23977 861.65761
3790.0000 -137.16621 -130.35430 6.81191 2.53268 -130.63863 863.68186
3795.0000 -137.26724 -131.61710 5.65014 2.50475 -131.05218 830.86758
3800.0000 -136.43322 -130.31676 6.11646 2.45975 -131.71868 820.56488
3805.0000 -137.12386 -130.49896 6.62490 2.56514 -130.15785 887.17995
3810.0000 -137.23070 -131.25559 5.97511 2.52341 -130.77592 864.75245
3815.0000 -137.06381 -130.78521 6.27860 2.50239 -131.08714 815.21594
3820.0000 -137.24194 -131.52092 5.72102 2.50904 -130.98868 864.90773
3825.0000 -137.53563 -130.58284 6.95278 2.47241 -131.53129 844.53887
3830.0000 -136.86950 -130.73478 6.13473 2.53442 -130.61273 847.98427
3835.0000 -136.54213 -130.41134 6.13079 2.51263 -130.93560 854.29082
3840.0000 -137.72789 -133.25176 4.47613 2.46011 -131.71340 772.87428
3845.0000 -138.31015 -131.39201 6.91814 2.41163 -132.43143 773.92676
3850.0000 -137.88844 -131.45577 6.43267 2.43561 -132.07629 786.97801
3855.0000 -136.87391 -130.36330 6.51061 2.50816 -131.00167 837.31248
3860.0000 -136.95439 -131.20711 5.74728 2.51983 -130.82893 847.79480
3865.0000 -138.14751 -132.04696 6.10054 2.44621 -131.91931 811.85468
3870.0000 -139.44852 -133.22739 6.22113 2.47140 -131.54623 827.55515
3875.0000 -138.95355 -133.09180 5.86174 2.40580 -132.51772 774.85761
3880.0000 -137.91226 -132.14796 5.76430 2.41048 -132.44849 771.10878
3885.0000 -137.02683 -131.41251 5.61431 2.47627 -131.47404 829.09188
3890.0000 -137.81658 -131.47840 6.33818 2.44343 -131.96051 815.75672
3895.0000 -137.63047 -131.81559 5.81487 2.44123 -131.99305 835.57876
3900.0000 -139.00964 -132.55196 6.45768 2.43710 -132.05419 804.32297
3905.0000 -140.07838 -134.31123 5.76715 2.32738 -133.67926 771.53530
3910.0000 -138.23907 -132.03959 6.19948 2.36587 -133.10917 767.27375
3915.0000 -139.51828 -133.76030 5.75798 2.37263 -133.00912 757.75147
3920.0000 -138.41284 -133.08979 5.32305 2.30811 -133.96474 730.79745
3925.0000 -139.28140 -133.20015 6.08125 2.39973 -132.60767 772.32740
3930.0000 -138.04503 -133.44654 4.59850 2.38069 -132.88966 772.08896
3935.0000 -137.17959 -131.00197 6.17763 2.43572 -132.07464 821.46073
3940.0000 -137.73189 -131.05106 6.68083 2.49866 -131.14241 854.75858
3945.0000 -136.71560 -131.28438 5.43122 2.48465 -131.34989 847.92273
3950.0000 -135.57863 -129.72245 5.85619 2.55769 -130.26809 863.91454
3955.0000 -137.91333 -132.43129 5.48204 2.51688 -130.87262 846.66825
3960.0000 -138.06991 -132.83393 5.23598 2.41209 -132.42461 780.04545
3965.0000 -138.41277 -132.72459 5.68818 2.33176 -133.61440 712.59956
3970.0000 -137.25145 -131.90359 5.34785 2.45944 -131.72333 781.75023
3975.0000 -137.20801 -131.63517 5.57284 2.41823 -132.33372 771.71888
3980.0000 -136.47639 -130.77406 5.70232 2.50816 -131.00168 861.34962
3985.0000 -135.87373 -129.54280 6.33093 2.54828 -130.40747 894.20223
3990.0000 -138.40237 -133.78638 4.61599 2.48847 -131.29334 824.13623
3995.0000 -138.16029 -131.86990 6.29039 2.31842 -133.81203 714.70737
4000.0000 -138.45932 -132.08920 6.37012 2.44051 -132.00377 796.72317
FREEZING PROCESS: loop number 17 T-loop= 800.00000000000000
main_MD> interactions number 17 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.16330 -1.18554 -0.31968
force_rgl> df(natom) 1.93355 -0.23748 -2.24737
4005.0000 -137.07201 -131.76250 5.30950 2.46576 -131.62968 825.37382
4010.0000 -137.72209 -131.94785 5.77424 2.45177 -131.83695 785.51434
4015.0000 -137.68373 -132.78777 4.89596 2.39694 -132.64898 762.24688
4020.0000 -136.94800 -130.44883 6.49917 2.41814 -132.33503 794.20596
4025.0000 -137.80159 -129.93168 7.86992 2.52776 -130.71143 877.25962
4030.0000 -137.22753 -130.33024 6.89729 2.58405 -129.87770 916.35911
4035.0000 -136.97230 -131.25165 5.72065 2.51385 -130.91751 828.35580
4040.0000 -138.02401 -131.99224 6.03177 2.48579 -131.33300 838.38371
4045.0000 -137.35156 -132.07274 5.27883 2.44315 -131.96457 787.60991
4050.0000 -138.25674 -132.51018 5.74656 2.45651 -131.76666 813.72921
4055.0000 -135.84516 -131.19666 4.64849 2.47136 -131.54684 815.14867
4060.0000 -137.25913 -131.33825 5.92088 2.50010 -131.12113 868.83530
4065.0000 -137.04473 -130.37105 6.67368 2.50796 -131.00471 827.01325
4070.0000 -137.98411 -132.51511 5.46900 2.48118 -131.40128 797.85335
4075.0000 -137.69469 -132.45787 5.23681 2.40255 -132.56587 758.56758
4080.0000 -139.14823 -132.28319 6.86504 2.42608 -132.21747 779.85956
4085.0000 -137.81252 -133.06730 4.74522 2.34168 -133.46747 735.53078
4090.0000 -138.49425 -132.64925 5.84499 2.37085 -133.03544 759.86113
4095.0000 -138.32488 -132.76764 5.55724 2.41161 -132.43166 792.89219
4100.0000 -138.81381 -133.66639 5.14742 2.37786 -132.93167 772.68956
4105.0000 -138.44906 -132.52733 5.92173 2.37779 -132.93271 757.91919
4110.0000 -138.12037 -132.14735 5.97302 2.42999 -132.15944 794.59466
4115.0000 -138.67899 -131.89159 6.78740 2.44150 -131.98906 791.70574
4120.0000 -137.80738 -131.71734 6.09004 2.47100 -131.55218 840.00086
4125.0000 -138.39945 -131.63506 6.76439 2.44875 -131.88172 790.61064
4130.0000 -139.24353 -133.27474 5.96879 2.38528 -132.82173 733.55850
4135.0000 -137.76094 -132.22857 5.53237 2.45271 -131.82302 784.71807
4140.0000 -138.28518 -133.00550 5.27969 2.42302 -132.26279 781.54623
4145.0000 -138.50431 -133.16075 5.34356 2.36028 -133.19197 756.94213
4150.0000 -138.40355 -133.20542 5.19813 2.36277 -133.15515 737.41144
4155.0000 -139.08469 -132.96016 6.12453 2.36752 -133.08474 731.93578
4160.0000 -137.44161 -131.12771 6.31390 2.51524 -130.89688 870.99647
4165.0000 -137.42420 -130.72763 6.69657 2.50087 -131.10971 832.56691
4170.0000 -136.65258 -130.48023 6.17235 2.57979 -129.94076 875.93418
4175.0000 -137.79947 -132.11138 5.68809 2.49889 -131.13908 833.89425
4180.0000 -136.86657 -131.18508 5.68149 2.43468 -132.09002 772.06906
4185.0000 -138.35487 -131.69811 6.65676 2.49372 -131.21562 837.06693
4190.0000 -136.16200 -130.12666 6.03534 2.52557 -130.74390 877.91078
4195.0000 -137.69544 -131.81745 5.87798 2.51831 -130.85141 851.60353
4200.0000 -136.55546 -130.58562 5.96984 2.51733 -130.86591 859.77790
4205.0000 -138.21308 -132.02927 6.18381 2.47585 -131.48035 820.69250
4210.0000 -137.80893 -131.17368 6.63526 2.44570 -131.92678 814.02348
4215.0000 -138.29805 -132.29186 6.00619 2.45225 -131.82981 799.38258
4220.0000 -138.01497 -132.24576 5.76921 2.43346 -132.10817 809.67003
4225.0000 -139.40555 -133.60050 5.80505 2.42788 -132.19075 804.03949
4230.0000 -137.70679 -133.57205 4.13474 2.35267 -133.30470 712.26694
4235.0000 -138.28183 -132.34276 5.93907 2.39501 -132.67755 782.73348
4240.0000 -139.16286 -133.73135 5.43150 2.36279 -133.15482 743.81875
4245.0000 -138.33138 -132.44389 5.88749 2.36989 -133.04970 751.54261
4250.0000 -137.93774 -131.85409 6.08365 2.42814 -132.18689 787.74601
FREEZING PROCESS: loop number 18 T-loop= 775.00000000000000
main_MD> interactions number 18 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18652 2.13054 -0.38647
force_rgl> df(natom) -2.59310 0.96810 0.02016
4255.0000 -138.07570 -132.16959 5.90611 2.42176 -132.28145 805.78465
4260.0000 -138.08479 -132.90122 5.18357 2.41515 -132.37936 762.69555
4265.0000 -137.80261 -131.28251 6.52011 2.44887 -131.87983 775.15971
4270.0000 -135.90434 -130.16645 5.73789 2.56392 -130.17594 874.83421
4275.0000 -138.54381 -132.24106 6.30275 2.47067 -131.55700 832.51497
4280.0000 -139.95710 -133.76959 6.18751 2.36837 -133.07210 752.30663
4285.0000 -139.68806 -134.31942 5.36864 2.31371 -133.88172 721.49313
4290.0000 -138.99175 -133.91321 5.07854 2.29246 -134.19652 685.86546
4295.0000 -139.83422 -133.32071 6.51351 2.30987 -133.93856 737.87658
4300.0000 -137.48051 -132.05425 5.42626 2.39698 -132.64843 779.82817
4305.0000 -138.40406 -132.84626 5.55780 2.42527 -132.22936 804.87388
4310.0000 -138.26799 -132.41937 5.84862 2.43056 -132.15109 795.00544
4315.0000 -138.95641 -132.59032 6.36609 2.41954 -132.31424 794.01551
4320.0000 -138.06983 -132.35654 5.71329 2.36489 -133.12374 732.34907
4325.0000 -139.00484 -132.52714 6.47770 2.38498 -132.82611 741.16906
4330.0000 -136.94778 -132.32825 4.61953 2.43698 -132.05600 766.62118
4335.0000 -137.18251 -129.48768 7.69483 2.51208 -130.94371 839.34133
4340.0000 -138.67335 -132.20226 6.47109 2.51453 -130.90746 839.35503
4345.0000 -139.30005 -133.57052 5.72954 2.32303 -133.74363 712.09394
4350.0000 -138.85212 -132.30744 6.54467 2.36501 -133.12197 736.60347
4355.0000 -138.64480 -132.76518 5.87962 2.36618 -133.10454 718.19627
4360.0000 -139.27707 -133.94656 5.33051 2.36901 -133.06274 770.00173
4365.0000 -139.53063 -135.42116 4.10947 2.27163 -134.50495 697.49027
4370.0000 -138.61301 -132.89743 5.71558 2.29626 -134.14025 702.83801
4375.0000 -138.47952 -133.64436 4.83516 2.33618 -133.54899 729.04671
4380.0000 -137.80258 -132.02610 5.77648 2.39080 -132.73993 770.50175
4385.0000 -138.62059 -132.19830 6.42229 2.41669 -132.35643 757.80831
4390.0000 -137.62552 -132.40056 5.22496 2.49118 -131.25322 823.22550
4395.0000 -138.15827 -132.24325 5.91502 2.42485 -132.23562 797.07429
4400.0000 -137.97061 -132.53623 5.43438 2.41863 -132.32778 797.54015
4405.0000 -138.11528 -132.41953 5.69575 2.40528 -132.52555 791.34831
4410.0000 -138.09175 -132.78198 5.30977 2.40772 -132.48936 761.53005
4415.0000 -138.39281 -132.89376 5.49905 2.36565 -133.11246 740.66832
4420.0000 -135.40236 -129.62680 5.77556 2.45201 -131.83340 838.81567
4425.0000 -138.51150 -131.29452 7.21697 2.57002 -130.08560 897.82863
4430.0000 -138.87082 -132.81071 6.06011 2.43908 -132.02486 802.73925
4435.0000 -138.55010 -133.59230 4.95780 2.37691 -132.94572 752.98182
4440.0000 -139.07341 -133.90116 5.17225 2.31215 -133.90486 712.40343
4445.0000 -137.34891 -131.42825 5.92066 2.43126 -132.14077 792.27749
4450.0000 -137.84417 -131.39735 6.44682 2.45305 -131.81795 788.29701
4455.0000 -137.22427 -131.52331 5.70096 2.44625 -131.91863 802.38815
4460.0000 -138.01359 -132.69185 5.32174 2.44020 -132.00822 820.87823
4465.0000 -139.01367 -133.20341 5.81027 2.37487 -132.97586 753.47251
4470.0000 -137.81816 -132.41335 5.40482 2.42607 -132.21758 793.69488
4475.0000 -136.53326 -131.08055 5.45270 2.46488 -131.64281 863.30894
4480.0000 -138.21008 -132.05210 6.15798 2.43169 -132.13428 790.32279
4485.0000 -138.87567 -133.12623 5.74944 2.39263 -132.71278 755.60202
4490.0000 -137.74843 -132.03732 5.71112 2.38894 -132.76758 781.32314
4495.0000 -138.89388 -132.97196 5.92192 2.37065 -133.03842 741.13939
4500.0000 -137.75822 -131.55560 6.20262 2.39020 -132.74879 754.46823
FREEZING PROCESS: loop number 19 T-loop= 750.00000000000000
main_MD> interactions number 19 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91765 1.32208 -1.17121
force_rgl> df(natom) 3.20729 0.52970 -1.21637
4505.0000 -137.68422 -131.56855 6.11567 2.46968 -131.57171 812.65658
4510.0000 -137.76162 -132.04182 5.71979 2.44633 -131.91755 766.11941
4515.0000 -138.58306 -132.97635 5.60671 2.40932 -132.46565 774.28297
4520.0000 -138.17890 -132.73122 5.44768 2.37046 -133.04118 755.22167
4525.0000 -138.04034 -131.83039 6.20995 2.46720 -131.60836 812.26557
4530.0000 -138.44902 -133.47925 4.96977 2.40278 -132.56245 780.26775
4535.0000 -138.20865 -132.23812 5.97053 2.36308 -133.15055 701.18358
4540.0000 -137.79712 -131.48223 6.31489 2.45407 -131.80293 770.47970
4545.0000 -138.44780 -131.47975 6.96805 2.47280 -131.52552 799.36875
4550.0000 -138.90216 -133.04672 5.85544 2.38992 -132.75300 766.55587
4555.0000 -138.81905 -133.45209 5.36696 2.33416 -133.57892 739.83637
4560.0000 -138.04884 -132.91018 5.13866 2.35627 -133.25136 717.12256
4565.0000 -139.39105 -133.96776 5.42329 2.34761 -133.37971 746.79140
4570.0000 -139.31714 -133.14144 6.17570 2.29294 -134.18934 712.59187
4575.0000 -138.31952 -131.61695 6.70257 2.43551 -132.07768 805.83893
4580.0000 -137.78251 -131.83294 5.94956 2.44531 -131.93267 777.39435
4585.0000 -137.67785 -132.57581 5.10204 2.41665 -132.35704 763.71765
4590.0000 -139.07984 -134.02670 5.05315 2.33160 -133.61682 715.72963
4595.0000 -138.76689 -133.15319 5.61369 2.33114 -133.62356 720.60051
4600.0000 -139.81378 -135.05938 4.75440 2.30958 -133.94285 685.95565
4605.0000 -139.01028 -133.32748 5.68280 2.30055 -134.07671 737.90315
4610.0000 -138.70490 -133.03642 5.66848 2.38694 -132.79710 795.82462
4615.0000 -138.81172 -132.80989 6.00183 2.36096 -133.18191 745.19422
4620.0000 -139.13513 -133.85630 5.27883 2.34403 -133.43266 737.39915
4625.0000 -139.04696 -133.28188 5.76508 2.25589 -134.73804 672.06869
4630.0000 -138.18852 -133.27156 4.91696 2.33758 -133.52819 743.10378
4635.0000 -137.29638 -132.32543 4.97095 2.40507 -132.52860 751.57713
4640.0000 -136.86418 -132.61060 4.25358 2.40731 -132.49547 753.38891
4645.0000 -140.37219 -134.06828 6.30392 2.38397 -132.84115 767.24512
4650.0000 -138.51320 -133.61727 4.89593 2.35537 -133.26474 722.49085
4655.0000 -139.49616 -133.92001 5.57615 2.30696 -133.98174 691.53844
4660.0000 -138.83021 -133.49123 5.33898 2.34610 -133.40204 731.75545
4665.0000 -138.35257 -133.00303 5.34954 2.32917 -133.65271 721.34734
4670.0000 -137.77316 -132.15564 5.61752 2.39270 -132.71182 775.61249
4675.0000 -138.35055 -133.73922 4.61132 2.36365 -133.14209 756.39308
4680.0000 -138.82615 -133.39407 5.43208 2.35440 -133.27905 746.39788
4685.0000 -139.34825 -133.69538 5.65288 2.29655 -134.13595 689.58366
4690.0000 -138.28097 -133.72927 4.55170 2.32123 -133.77031 673.70893
4695.0000 -138.68562 -133.54081 5.14481 2.33193 -133.61192 713.42014
4700.0000 -139.35654 -132.87830 6.47824 2.35291 -133.30107 744.92235
4705.0000 -137.48390 -131.09028 6.39362 2.40919 -132.46759 791.23318
4710.0000 -137.71016 -131.81343 5.89673 2.43692 -132.05693 806.85327
4715.0000 -136.25717 -130.20872 6.04845 2.51061 -130.96545 830.68195
4720.0000 -138.60941 -132.80412 5.80528 2.49305 -131.22555 846.53164
4725.0000 -137.42933 -131.84543 5.58390 2.42273 -132.26703 749.73799
4730.0000 -135.99783 -130.92950 5.06833 2.49293 -131.22738 832.53341
4735.0000 -137.78762 -131.28872 6.49890 2.49020 -131.26780 850.84989
4740.0000 -138.16469 -131.80825 6.35644 2.47461 -131.49869 820.61348
4745.0000 -138.78275 -131.80628 6.97647 2.43726 -132.05179 827.78565
4750.0000 -138.18901 -132.47832 5.71069 2.43313 -132.11300 788.51042
FREEZING PROCESS: loop number 20 T-loop= 725.00000000000000
main_MD> interactions number 20 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41617 4.04188 2.21308
force_rgl> df(natom) -1.74947 -0.96081 0.98020
4755.0000 -138.92135 -134.64514 4.27621 2.35122 -133.32612 713.33019
4760.0000 -138.11621 -133.02727 5.08895 2.29387 -134.17555 701.18140
4765.0000 -139.21413 -133.41431 5.79982 2.37257 -133.00999 752.28884
4770.0000 -139.05641 -133.28323 5.77318 2.35370 -133.28940 724.92583
4775.0000 -138.64472 -133.25962 5.38510 2.35837 -133.22025 723.42077
4780.0000 -138.09498 -132.84007 5.25492 2.36057 -133.18775 725.53720
4785.0000 -137.54091 -131.76455 5.77636 2.39942 -132.61225 753.19707
4790.0000 -138.66907 -132.72590 5.94316 2.42878 -132.17743 805.49171
4795.0000 -138.64369 -133.29138 5.35231 2.37835 -132.92439 742.24067
4800.0000 -139.42536 -133.91832 5.50704 2.35225 -133.31090 736.64211
4805.0000 -139.28200 -134.41950 4.86251 2.29953 -134.09181 709.84823
4810.0000 -138.43708 -133.33794 5.09913 2.31881 -133.80615 724.38727
4815.0000 -139.29559 -133.79985 5.49573 2.33284 -133.59837 715.85886
4820.0000 -137.91909 -133.00160 4.91749 2.32530 -133.71006 700.96179
4825.0000 -138.76453 -133.73706 5.02747 2.33405 -133.58045 730.18454
4830.0000 -139.02790 -132.69057 6.33733 2.34709 -133.38730 714.88962
4835.0000 -140.46024 -135.10859 5.35165 2.31807 -133.81719 713.09789
4840.0000 -139.35257 -133.45020 5.90237 2.28360 -134.32765 667.42519
4845.0000 -138.75602 -132.94945 5.80657 2.37127 -133.02926 761.56623
4850.0000 -138.21459 -132.68166 5.53293 2.37704 -132.94370 769.81283
4855.0000 -139.23111 -133.48588 5.74523 2.35482 -133.27290 742.50095
4860.0000 -138.86204 -133.01813 5.84391 2.32346 -133.73737 700.73790
4865.0000 -138.40653 -133.39591 5.01062 2.35995 -133.19690 736.09654
4870.0000 -136.59976 -130.75281 5.84694 2.42927 -132.17018 778.19410
4875.0000 -138.40966 -132.66534 5.74432 2.45345 -131.81208 801.75162
4880.0000 -138.77706 -133.72837 5.04869 2.39180 -132.72514 771.80936
4885.0000 -137.89947 -133.26101 4.63845 2.35141 -133.32330 744.20066
4890.0000 -138.45436 -132.01097 6.44340 2.40718 -132.49741 786.24009
4895.0000 -138.68670 -132.20497 6.48173 2.41788 -132.33894 787.00054
4900.0000 -139.47224 -134.77911 4.69314 2.34368 -133.43779 726.66175
4905.0000 -139.22316 -133.96672 5.25644 2.29964 -134.09013 674.91015
4910.0000 -139.31089 -134.11153 5.19936 2.29729 -134.12490 704.30329
4915.0000 -138.07622 -132.65488 5.42135 2.35304 -133.29917 758.75595
4920.0000 -138.66783 -132.98674 5.68108 2.40220 -132.57111 791.60956
4925.0000 -139.24260 -132.93731 6.30529 2.38899 -132.76674 755.25151
4930.0000 -139.46360 -133.98545 5.47816 2.35943 -133.20459 737.59194
4935.0000 -139.08590 -133.71045 5.37544 2.37400 -132.98876 740.50120
4940.0000 -138.85769 -132.93339 5.92430 2.33463 -133.57187 725.98377
4945.0000 -139.92423 -134.24493 5.67930 2.35403 -133.28454 743.77566
4950.0000 -138.36945 -131.42241 6.94704 2.35556 -133.26195 739.40250
4955.0000 -138.10873 -132.84102 5.26770 2.41712 -132.35006 799.55312
4960.0000 -138.63088 -132.93637 5.69452 2.34527 -133.41432 750.89866
4965.0000 -138.85875 -133.80710 5.05164 2.32783 -133.67267 722.67809
4970.0000 -140.03239 -134.51121 5.52118 2.31456 -133.86911 721.86454
4975.0000 -138.42686 -133.38851 5.03835 2.27272 -134.48879 662.57523
4980.0000 -139.25773 -133.90737 5.35035 2.30702 -133.98087 680.32210
4985.0000 -139.59450 -133.39501 6.19949 2.33268 -133.60080 718.77353
4990.0000 -138.44336 -132.81886 5.62450 2.38565 -132.81620 768.16697
4995.0000 -138.88856 -132.82616 6.06240 2.41624 -132.36312 767.50944
5000.0000 -139.58935 -134.31266 5.27670 2.38273 -132.85943 747.79870
FREEZING PROCESS: loop number 21 T-loop= 700.00000000000000
main_MD> interactions number 21 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18359 -1.90108 3.16428
force_rgl> df(natom) -0.34526 3.47387 -0.30786
5005.0000 -138.83630 -133.03368 5.80261 2.33080 -133.62867 746.86845
5010.0000 -137.61388 -132.46725 5.14663 2.38197 -132.87078 762.97407
5015.0000 -138.84147 -134.08607 4.75540 2.31822 -133.81491 714.06255
5020.0000 -139.81213 -134.09893 5.71320 2.28340 -134.33068 687.80357
5025.0000 -139.03670 -133.23542 5.80128 2.31282 -133.89488 715.21237
5030.0000 -138.46382 -133.24030 5.22352 2.35121 -133.32639 691.25191
5035.0000 -138.98591 -133.70795 5.27796 2.35625 -133.25167 749.67428
5040.0000 -138.81041 -134.59800 4.21241 2.34701 -133.38856 711.23260
5045.0000 -139.29101 -134.51340 4.77761 2.29678 -134.13250 667.73760
5050.0000 -138.82556 -133.78953 5.03602 2.30974 -133.94046 680.37330
5055.0000 -139.43721 -134.21701 5.22020 2.27744 -134.41891 659.12127
5060.0000 -139.11292 -134.99876 4.11416 2.31807 -133.81715 716.81790
5065.0000 -139.30927 -134.64182 4.66745 2.25380 -134.76912 669.19197
5070.0000 -137.29100 -132.91967 4.37133 2.35526 -133.26637 715.96036
5075.0000 -139.60071 -133.43034 6.17037 2.36380 -133.13985 727.28934
5080.0000 -140.29846 -134.60971 5.68875 2.25931 -134.68741 674.03523
5085.0000 -138.73916 -133.44470 5.29446 2.29989 -134.08641 717.95885
5090.0000 -139.04426 -133.98480 5.05946 2.33396 -133.58181 705.19607
5095.0000 -138.47719 -133.24726 5.22993 2.31172 -133.91122 712.05475
5100.0000 -139.67563 -135.17202 4.50360 2.25765 -134.71205 682.11331
5105.0000 -139.52740 -135.02010 4.50730 2.23204 -135.09140 661.41464
5110.0000 -139.77708 -135.26110 4.51598 2.25901 -134.69187 671.17263
5115.0000 -139.07978 -134.28460 4.79518 2.24360 -134.92010 662.23920
5120.0000 -139.24683 -132.95804 6.28879 2.29642 -134.13778 700.12972
5125.0000 -138.93207 -133.51828 5.41378 2.37501 -132.97389 742.42015
5130.0000 -138.73524 -133.54197 5.19327 2.39252 -132.71448 744.11885
5135.0000 -139.24957 -135.35120 3.89837 2.26800 -134.55868 651.57279
5140.0000 -138.60203 -133.69142 4.91061 2.28106 -134.36524 680.82943
5145.0000 -139.51853 -134.35110 5.16743 2.30662 -133.98675 709.65992
5150.0000 -139.39804 -133.87229 5.52575 2.30958 -133.94292 705.39981
5155.0000 -139.48099 -134.34026 5.14073 2.28916 -134.24534 711.03110
5160.0000 -139.64111 -134.03534 5.60577 2.28756 -134.26908 700.00341
5165.0000 -138.55963 -133.61301 4.94662 2.32301 -133.74398 708.60192
5170.0000 -137.81025 -133.25091 4.55934 2.34974 -133.34813 700.12340
5175.0000 -137.80993 -133.00978 4.80015 2.36148 -133.17426 722.68738
5180.0000 -139.51296 -134.40684 5.10612 2.35723 -133.23715 729.18428
5185.0000 -138.68790 -133.63551 5.05239 2.28528 -134.30279 695.97217
5190.0000 -138.58380 -133.96980 4.61400 2.36170 -133.17101 707.79693
5195.0000 -140.64081 -134.73647 5.90434 2.28879 -134.25079 680.68789
5200.0000 -139.70229 -134.02998 5.67231 2.29841 -134.10838 708.29990
5205.0000 -138.87810 -133.59243 5.28567 2.28404 -134.32117 668.93452
5210.0000 -138.28833 -133.35345 4.93488 2.34236 -133.45739 757.16958
5215.0000 -138.95946 -134.59329 4.36617 2.31950 -133.79605 708.33511
5220.0000 -138.99801 -132.74516 6.25286 2.28984 -134.23532 692.71751
5225.0000 -139.19784 -133.38300 5.81484 2.35356 -133.29156 746.07277
5230.0000 -139.19453 -132.94204 6.25250 2.34439 -133.42739 721.64386
5235.0000 -139.49817 -134.68967 4.80850 2.27094 -134.51514 677.70328
5240.0000 -139.04299 -134.21408 4.82892 2.28682 -134.28003 714.00345
5245.0000 -138.17721 -132.72253 5.45468 2.32881 -133.65807 754.34170
5250.0000 -138.68163 -134.08262 4.59901 2.39339 -132.70156 784.41035
FREEZING PROCESS: loop number 22 T-loop= 675.00000000000000
main_MD> interactions number 22 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.40919 -3.20807 5.37001
force_rgl> df(natom) 1.17336 -1.60759 -0.33218
5255.0000 -138.55360 -133.80145 4.75215 2.28895 -134.24843 687.81298
5260.0000 -140.43610 -135.50929 4.92681 2.25603 -134.73604 674.07472
5265.0000 -139.71272 -135.49124 4.22148 2.22597 -135.18127 688.34448
5270.0000 -139.91631 -135.40328 4.51303 2.19451 -135.64718 619.98811
5275.0000 -139.19296 -134.21119 4.98177 2.25795 -134.70760 671.13368
5280.0000 -139.35819 -134.20032 5.15787 2.27107 -134.51320 682.84849
5285.0000 -139.73707 -134.47895 5.25812 2.26429 -134.61363 630.69607
5290.0000 -139.06235 -134.18584 4.87651 2.26575 -134.59207 676.48945
5295.0000 -140.64216 -136.09991 4.54225 2.19862 -135.58637 617.54524
5300.0000 -140.15692 -135.16730 4.98962 2.19778 -135.59875 618.64330
5305.0000 -140.63263 -135.52622 5.10641 2.20279 -135.52461 599.49039
5310.0000 -139.93087 -134.76448 5.16639 2.22909 -135.13500 657.26678
5315.0000 -139.64714 -133.35089 6.29625 2.28940 -134.24180 682.47805
5320.0000 -140.26856 -134.81551 5.45305 2.30501 -134.01063 715.13513
5325.0000 -139.57658 -134.87248 4.70409 2.22991 -135.12287 647.91883
5330.0000 -140.94872 -135.68205 5.26667 2.21480 -135.34662 626.17991
5335.0000 -140.34715 -134.47340 5.87375 2.19952 -135.57294 605.85186
5340.0000 -140.08758 -135.68303 4.40455 2.26745 -134.56689 661.60037
5345.0000 -140.24581 -134.92900 5.31681 2.24419 -134.91136 668.77260
5350.0000 -139.87271 -135.17551 4.69720 2.21854 -135.29132 665.37509
5355.0000 -138.89490 -133.60410 5.29080 2.27639 -134.43447 686.47005
5360.0000 -139.05939 -133.09423 5.96517 2.32817 -133.66754 717.90047
5365.0000 -139.35702 -134.04625 5.31076 2.29520 -134.15589 710.57444
5370.0000 -139.87151 -134.27909 5.59242 2.29324 -134.18493 706.92557
5375.0000 -139.48562 -134.39219 5.09343 2.27336 -134.47931 684.53546
5380.0000 -140.17817 -135.89730 4.28086 2.26645 -134.58174 675.13697
5385.0000 -140.40788 -136.04292 4.36496 2.19451 -135.64720 606.87882
5390.0000 -140.83058 -135.93140 4.89918 2.19580 -135.62809 628.13150
5395.0000 -140.85999 -136.79618 4.06381 2.15945 -136.16644 608.57365
5400.0000 -140.16986 -134.81583 5.35402 2.16267 -136.11873 624.10826
5405.0000 -139.85214 -134.46974 5.38240 2.22634 -135.17569 636.80136
5410.0000 -139.36468 -134.82350 4.54118 2.30412 -134.02375 701.62740
5415.0000 -138.31546 -134.03354 4.28191 2.26050 -134.66985 656.08638
5420.0000 -139.96089 -133.94541 6.01548 2.28136 -134.36088 677.93329
5425.0000 -138.88091 -134.18426 4.69665 2.31977 -133.79202 705.26802
5430.0000 -139.00406 -134.22701 4.77704 2.30041 -134.07873 659.21274
5435.0000 -139.10441 -134.64569 4.45872 2.28359 -134.32786 665.43806
5440.0000 -140.34410 -135.77495 4.56915 2.21602 -135.32857 625.59204
5445.0000 -139.50799 -135.20246 4.30553 2.20275 -135.52512 640.87551
5450.0000 -139.30083 -134.85743 4.44340 2.28382 -134.32445 696.89739
5455.0000 -139.81381 -134.62711 5.18671 2.23388 -135.06412 696.91266
5460.0000 -139.38499 -133.70376 5.68123 2.32942 -133.64898 725.67773
5465.0000 -138.93314 -134.10664 4.82650 2.29992 -134.08605 689.30095
5470.0000 -139.09990 -134.16134 4.93856 2.31064 -133.92719 686.86337
5475.0000 -138.83738 -134.37942 4.45795 2.31118 -133.91922 716.62876
5480.0000 -140.03170 -134.47819 5.55351 2.24565 -134.88984 655.75808
5485.0000 -139.84457 -134.59773 5.24684 2.28287 -134.33844 674.29098
5490.0000 -139.71248 -134.52120 5.19128 2.26363 -134.62346 663.51606
5495.0000 -139.91046 -135.09476 4.81570 2.29885 -134.10183 691.01382
5500.0000 -140.02023 -135.68743 4.33279 2.23242 -135.08575 654.99514
FREEZING PROCESS: loop number 23 T-loop= 650.00000000000000
main_MD> interactions number 23 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01293 0.53165 1.67658
force_rgl> df(natom) 1.67340 5.08336 -4.17480
5505.0000 -139.25934 -134.18953 5.06982 2.24509 -134.89801 650.29330
5510.0000 -139.41142 -134.36222 5.04920 2.24687 -134.87175 666.39057
5515.0000 -140.23933 -135.70862 4.53071 2.21570 -135.33332 619.16075
5520.0000 -140.66379 -135.77683 4.88696 2.19402 -135.65449 616.60684
5525.0000 -139.22508 -133.99584 5.22924 2.24409 -134.91281 689.17956
5530.0000 -139.53260 -134.70690 4.82569 2.27759 -134.41678 702.71867
5535.0000 -139.96030 -135.26612 4.69417 2.22739 -135.16015 655.05546
5540.0000 -139.97443 -135.42030 4.55413 2.21868 -135.28917 644.35632
5545.0000 -140.29102 -135.60551 4.68551 2.20947 -135.42565 624.17400
5550.0000 -140.49463 -135.67468 4.81995 2.21081 -135.40584 629.47060
5555.0000 -139.79855 -136.06649 3.73206 2.19129 -135.69491 610.82851
5560.0000 -139.71102 -135.14174 4.56928 2.22630 -135.17638 643.98551
5565.0000 -141.13885 -136.00667 5.13218 2.17221 -135.97753 619.81966
5570.0000 -140.11415 -135.66698 4.44717 2.17411 -135.94941 605.75841
5575.0000 -140.66734 -135.00943 5.65791 2.19201 -135.68421 617.54921
5580.0000 -139.39339 -135.02922 4.36417 2.25130 -134.80606 654.65332
5585.0000 -139.10925 -134.49504 4.61422 2.23115 -135.10452 649.64561
5590.0000 -139.27891 -134.42119 4.85772 2.27698 -134.42566 675.77874
5595.0000 -138.23071 -133.54379 4.68692 2.28428 -134.31767 685.37261
5600.0000 -139.65228 -134.12636 5.52592 2.28749 -134.27009 661.48614
5605.0000 -139.81612 -134.16909 5.64703 2.30953 -133.94368 682.52956
5610.0000 -139.86562 -134.92163 4.94399 2.25392 -134.76725 661.88032
5615.0000 -140.09624 -135.21446 4.88179 2.27446 -134.46308 678.16320
5620.0000 -139.13267 -134.45856 4.67411 2.23144 -135.10026 632.00548
5625.0000 -140.93216 -135.17232 5.75984 2.24190 -134.94538 663.89086
5630.0000 -139.78750 -135.17012 4.61739 2.20264 -135.52680 630.67007
5635.0000 -141.35718 -135.54189 5.81528 2.22276 -135.22885 658.58156
5640.0000 -140.79364 -135.61451 5.17913 2.20538 -135.48618 668.77395
5645.0000 -140.23225 -136.19051 4.04174 2.17147 -135.98844 618.72303
5650.0000 -139.86732 -135.48941 4.37791 2.19497 -135.64035 655.09773
5655.0000 -140.87156 -135.99245 4.87911 2.21371 -135.36284 639.87393
5660.0000 -140.64399 -136.70912 3.93487 2.15775 -136.19159 573.59888
5665.0000 -140.35083 -136.06696 4.28387 2.15069 -136.29628 593.74857
5670.0000 -139.77589 -134.83078 4.94511 2.20275 -135.52517 647.36407
5675.0000 -139.86473 -134.96714 4.89759 2.28036 -134.37561 700.09607
5680.0000 -138.86516 -133.98206 4.88310 2.27831 -134.40605 694.20874
5685.0000 -138.60388 -133.55710 5.04679 2.33461 -133.57218 727.59019
5690.0000 -138.15310 -132.86752 5.28558 2.37119 -133.03033 737.85601
5695.0000 -138.64591 -133.65684 4.98907 2.37551 -132.96645 745.56098
5700.0000 -138.59767 -133.56307 5.03460 2.34254 -133.45467 735.32365
5705.0000 -139.59724 -135.02414 4.57310 2.27033 -134.52426 666.62835
5710.0000 -140.20883 -135.46483 4.74400 2.21357 -135.36489 620.64289
5715.0000 -140.19249 -135.10279 5.08970 2.20157 -135.54257 603.86558
5720.0000 -140.67292 -135.90971 4.76321 2.20641 -135.47092 656.36941
5725.0000 -139.42727 -134.01006 5.41720 2.25026 -134.82146 674.95829
5730.0000 -140.17931 -136.00957 4.16974 2.20887 -135.43450 638.08280
5735.0000 -141.15151 -135.70898 5.44253 2.18293 -135.81872 616.64691
5740.0000 -140.15615 -135.35703 4.79913 2.22589 -135.18245 668.80905
5745.0000 -140.52529 -136.14958 4.37572 2.21574 -135.33269 641.89328
5750.0000 -141.43308 -136.03920 5.39388 2.18448 -135.79581 617.23091
FREEZING PROCESS: loop number 24 T-loop= 625.00000000000000
main_MD> interactions number 24 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72681 0.60523 -0.82387
force_rgl> df(natom) 1.08192 -1.24146 2.53764
5755.0000 -140.57461 -136.31641 4.25820 2.16347 -136.10687 656.03089
5760.0000 -141.13453 -136.47706 4.65747 2.14398 -136.39558 623.16443
5765.0000 -141.34103 -137.04640 4.29463 2.14767 -136.34097 661.20514
5770.0000 -141.74049 -136.97371 4.76678 2.12365 -136.69663 645.00745
5775.0000 -141.64550 -137.47432 4.17118 2.07942 -137.35182 598.34557
5780.0000 -142.37346 -138.07236 4.30110 2.05238 -137.75235 549.95434
5785.0000 -140.57526 -136.12187 4.45339 2.11565 -136.81525 590.15400
5790.0000 -140.07997 -135.52230 4.55767 2.22860 -135.14233 662.80539
5795.0000 -140.36070 -135.56872 4.79198 2.20828 -135.44321 623.45123
5800.0000 -139.63583 -135.66065 3.97518 2.19519 -135.63712 612.62982
5805.0000 -140.54871 -136.29148 4.25723 2.14705 -136.35010 567.59367
5810.0000 -140.91306 -136.33447 4.57859 2.17363 -135.95648 605.00281
5815.0000 -140.46441 -136.41742 4.04700 2.12946 -136.61067 570.87537
5820.0000 -140.79075 -135.99366 4.79709 2.17775 -135.89544 611.00152
5825.0000 -140.27828 -135.19809 5.08019 2.16444 -136.09259 597.03261
5830.0000 -140.10318 -135.26341 4.83976 2.18697 -135.75889 616.35454
5835.0000 -140.07841 -135.48641 4.59199 2.21643 -135.32260 619.74448
5840.0000 -140.48083 -136.71845 3.76238 2.17165 -135.98577 589.26497
5845.0000 -139.78960 -135.69747 4.09213 2.16252 -136.12103 608.85256
5850.0000 -140.31682 -135.39133 4.92549 2.22354 -135.21720 650.12139
5855.0000 -139.60459 -134.59050 5.01409 2.25812 -134.70513 664.14805
5860.0000 -139.87830 -136.12483 3.75347 2.21476 -135.34729 638.56588
5865.0000 -139.98149 -134.48249 5.49899 2.21043 -135.41143 621.07326
5870.0000 -138.74499 -134.67553 4.06945 2.26115 -134.66026 668.19328
5875.0000 -141.13748 -136.67284 4.46464 2.17812 -135.88996 616.19160
5880.0000 -141.33561 -136.93100 4.40460 2.12861 -136.62329 578.30893
5885.0000 -140.35786 -136.19687 4.16098 2.11881 -136.76846 561.65285
5890.0000 -141.63389 -136.81086 4.82303 2.14792 -136.33724 604.16826
5895.0000 -140.75209 -136.45027 4.30182 2.16978 -136.01353 618.14451
5900.0000 -140.70719 -136.64468 4.06251 2.14390 -136.39682 560.26981
5905.0000 -141.46086 -137.06253 4.39833 2.11299 -136.85456 584.49634
5910.0000 -140.55756 -135.97456 4.58301 2.16729 -136.05041 630.20346
5915.0000 -139.62213 -135.06604 4.55609 2.21216 -135.38580 643.67676
5920.0000 -140.69712 -135.87227 4.82485 2.20634 -135.47203 621.78056
5925.0000 -140.45807 -135.48664 4.97143 2.22571 -135.18513 659.71288
5930.0000 -141.11489 -136.49461 4.62028 2.17065 -136.00058 595.91546
5935.0000 -140.18648 -135.49470 4.69178 2.14379 -136.39847 594.70502
5940.0000 -139.56625 -136.11910 3.44716 2.15085 -136.29392 599.27089
5945.0000 -140.16815 -136.43299 3.73516 2.17718 -135.90384 581.13183
5950.0000 -139.38067 -135.68519 3.69548 2.15470 -136.23676 555.93073
5955.0000 -139.99227 -135.79805 4.19421 2.18436 -135.79758 579.10189
5960.0000 -140.96296 -136.20903 4.75393 2.19639 -135.61942 620.36306
5965.0000 -140.90737 -137.22956 3.67782 2.12344 -136.69984 586.05775
5970.0000 -140.95306 -136.34817 4.60490 2.11928 -136.76136 576.10857
5975.0000 -140.56073 -136.61759 3.94314 2.15896 -136.17368 609.26485
5980.0000 -140.20935 -135.25853 4.95082 2.15343 -136.25560 613.12989
5985.0000 -141.04032 -135.46948 5.57084 2.20420 -135.50367 654.13336
5990.0000 -139.40785 -134.43560 4.97225 2.21378 -135.36176 642.76727
5995.0000 -140.29818 -135.43204 4.86614 2.24672 -134.87395 644.38033
6000.0000 -140.63292 -135.85287 4.78006 2.20481 -135.49459 633.58005
FREEZING PROCESS: loop number 25 T-loop= 600.00000000000000
main_MD> interactions number 25 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23113 1.97414 -0.53343
force_rgl> df(natom) -1.19633 -1.69178 0.55353
6005.0000 -140.81752 -136.89570 3.92183 2.16321 -136.11072 592.01932
6010.0000 -139.75665 -135.39890 4.35774 2.17212 -135.97883 576.41193
6015.0000 -139.76126 -134.90911 4.85216 2.22152 -135.24717 630.08772
6020.0000 -140.47218 -135.77431 4.69787 2.22319 -135.22244 676.05879
6025.0000 -140.04942 -136.26766 3.78176 2.14636 -136.36031 581.44382
6030.0000 -140.07025 -135.33986 4.73039 2.13737 -136.49351 584.08540
6035.0000 -140.08793 -134.90983 5.17810 2.25034 -134.82024 662.26216
6040.0000 -139.74231 -134.88043 4.86188 2.20520 -135.48889 628.21440
6045.0000 -139.80555 -134.88236 4.92320 2.28721 -134.27428 685.10501
6050.0000 -139.72289 -135.19843 4.52446 2.25042 -134.81917 678.84454
6055.0000 -140.52110 -135.75635 4.76475 2.18293 -135.81876 624.42057
6060.0000 -139.80055 -135.22995 4.57061 2.20535 -135.48661 628.96105
6065.0000 -140.20314 -136.23640 3.96673 2.20898 -135.43287 625.53692
6070.0000 -140.88338 -135.98619 4.89718 2.14392 -136.39642 573.91785
6075.0000 -140.69883 -136.83293 3.86591 2.15872 -136.17724 618.73377
6080.0000 -141.12551 -137.29734 3.82816 2.13849 -136.47695 602.32571
6085.0000 -140.87492 -135.41437 5.46055 2.18969 -135.71862 638.91408
6090.0000 -139.82997 -135.84543 3.98454 2.17547 -135.92926 625.09562
6095.0000 -140.83643 -136.49996 4.33647 2.18537 -135.78256 621.46898
6100.0000 -141.24851 -137.30244 3.94607 2.09829 -137.07232 573.13926
6105.0000 -140.82525 -136.55704 4.26821 2.10785 -136.93066 578.67283
6110.0000 -140.97474 -136.50437 4.47037 2.12499 -136.67691 581.51686
6115.0000 -141.24294 -136.50803 4.73491 2.10067 -137.03712 552.69232
6120.0000 -140.35913 -136.56442 3.79472 2.12749 -136.63990 584.37175
6125.0000 -140.72472 -136.70570 4.01902 2.10914 -136.91157 556.98725
6130.0000 -140.43375 -135.44525 4.98850 2.14863 -136.32667 605.29760
6135.0000 -140.38687 -136.42098 3.96588 2.14090 -136.44119 606.92493
6140.0000 -141.20343 -136.78450 4.41893 2.11254 -136.86128 574.21265
6145.0000 -140.66322 -136.32359 4.33963 2.14507 -136.37952 565.80783
6150.0000 -140.32513 -135.84169 4.48344 2.17656 -135.91302 592.03936
6155.0000 -140.14206 -135.91686 4.22520 2.20069 -135.55563 645.91909
6160.0000 -141.62764 -136.86252 4.76512 2.14801 -136.33587 590.44767
6165.0000 -141.39293 -137.86118 3.53175 2.04317 -137.88874 497.64379
6170.0000 -140.87003 -137.13706 3.73297 2.07985 -137.34546 545.34022
6175.0000 -141.48355 -137.37109 4.11246 2.08602 -137.25405 550.33934
6180.0000 -140.97478 -137.36909 3.60569 2.08940 -137.20391 538.07280
6185.0000 -140.49518 -135.68679 4.80839 2.13820 -136.48119 588.27322
6190.0000 -140.57499 -136.75424 3.82075 2.18395 -135.80358 620.56326
6195.0000 -140.27515 -136.07212 4.20304 2.15782 -136.19062 582.98341
6200.0000 -140.51212 -136.25487 4.25725 2.15477 -136.23582 594.34612
6205.0000 -141.11791 -136.49972 4.61820 2.15465 -136.23759 604.55820
6210.0000 -141.44075 -136.32388 5.11687 2.14549 -136.37320 613.51289
6215.0000 -139.83580 -135.57620 4.25960 2.17037 -136.00473 617.45845
6220.0000 -140.58527 -136.12802 4.45726 2.16479 -136.08735 603.16328
6225.0000 -140.26428 -135.95096 4.31332 2.20371 -135.51093 625.43461
6230.0000 -141.15075 -137.11325 4.03750 2.13662 -136.50466 565.59288
6235.0000 -139.97423 -135.25218 4.72205 2.17287 -135.96764 596.77666
6240.0000 -142.00265 -137.29452 4.70813 2.16610 -136.06796 613.24907
6245.0000 -141.02231 -137.38410 3.63821 2.07799 -137.37295 538.09792
6250.0000 -142.41960 -138.20142 4.21818 2.04845 -137.81043 518.69745
FREEZING PROCESS: loop number 26 T-loop= 575.00000000000000
main_MD> interactions number 26 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82999 -2.42779 -0.81840
force_rgl> df(natom) -0.14969 1.40173 1.34668
6255.0000 -142.04558 -138.20455 3.84103 2.04298 -137.89156 526.29818
6260.0000 -141.41212 -138.12079 3.29134 2.01506 -138.30506 490.91620
6265.0000 -141.91617 -138.29005 3.62613 2.05832 -137.66431 499.61754
6270.0000 -140.55262 -136.62639 3.92623 2.05877 -137.65757 514.28013
6275.0000 -141.10650 -136.75709 4.34942 2.13766 -136.48915 588.21938
6280.0000 -141.63542 -136.55195 5.08348 2.14703 -136.35041 610.18145
6285.0000 -141.65483 -137.69037 3.96446 2.07524 -137.41369 554.41641
6290.0000 -141.53300 -137.89336 3.63964 2.05285 -137.74530 520.43645
6295.0000 -141.47865 -137.75131 3.72735 2.04375 -137.88008 512.20616
6300.0000 -141.07165 -137.71551 3.35615 2.05002 -137.78720 500.53412
6305.0000 -140.91708 -137.25552 3.66156 2.05699 -137.68394 499.45418
6310.0000 -140.79266 -136.50996 4.28270 2.10556 -136.96468 564.78849
6315.0000 -140.77435 -136.26762 4.50674 2.14936 -136.31587 604.10347
6320.0000 -141.17320 -136.56059 4.61261 2.14401 -136.39517 600.54898
6325.0000 -140.80281 -136.19168 4.61113 2.14963 -136.31197 625.43128
6330.0000 -141.00202 -136.48372 4.51830 2.12456 -136.68317 589.73069
6335.0000 -140.97731 -136.30610 4.67121 2.14482 -136.38319 593.36105
6340.0000 -141.57927 -136.62291 4.95636 2.12016 -136.74840 582.73103
6345.0000 -142.21491 -137.69590 4.51901 2.07560 -137.40843 563.67477
6350.0000 -142.06608 -137.64857 4.41751 2.04527 -137.85754 546.25367
6355.0000 -141.36848 -136.99202 4.37646 2.09275 -137.15432 582.10330
6360.0000 -141.31406 -136.01490 5.29915 2.11920 -136.76264 578.21638
6365.0000 -140.66424 -137.03373 3.63051 2.10474 -136.97673 550.43083
6370.0000 -141.08425 -137.48150 3.60274 2.12130 -136.73144 567.93231
6375.0000 -140.95153 -137.26435 3.68718 2.10605 -136.95743 552.05172
6380.0000 -140.54292 -136.79328 3.74964 2.10338 -136.99691 549.21185
6385.0000 -141.16001 -136.92043 4.23958 2.12033 -136.74589 568.29657
6390.0000 -141.85910 -136.99735 4.86175 2.09612 -137.10440 559.66972
6395.0000 -140.57583 -136.47737 4.09846 2.12720 -136.64419 577.69982
6400.0000 -140.76916 -136.05998 4.70918 2.13193 -136.57407 564.90645
6405.0000 -140.49595 -136.17373 4.32222 2.14813 -136.33418 575.53175
6410.0000 -140.32943 -135.90100 4.42843 2.15191 -136.27817 591.47189
6415.0000 -140.39793 -136.15944 4.23849 2.14912 -136.31952 581.48131
6420.0000 -141.25606 -136.51460 4.74146 2.17695 -135.90721 609.64349
6425.0000 -141.29871 -137.58701 3.71170 2.10215 -137.01520 568.98985
6430.0000 -141.04815 -136.48964 4.55851 2.07932 -137.35334 540.58455
6435.0000 -140.82911 -136.24419 4.58493 2.10516 -136.97057 552.68081
6440.0000 -140.28811 -136.42640 3.86171 2.11551 -136.81727 551.92828
6445.0000 -141.26676 -136.61094 4.65582 2.11612 -136.80823 582.99448
6450.0000 -140.74503 -136.85657 3.88846 2.13227 -136.56899 592.58826
6455.0000 -141.77415 -137.15736 4.61679 2.09552 -137.11335 564.62151
6460.0000 -141.27798 -137.39486 3.88312 2.05190 -137.75938 530.49962
6465.0000 -140.77832 -136.87839 3.89993 2.06897 -137.50652 547.73725
6470.0000 -140.45647 -135.74582 4.71064 2.12232 -136.71643 586.56914
6475.0000 -140.82171 -137.38047 3.44124 2.13242 -136.56679 593.40620
6480.0000 -139.63050 -134.97618 4.65432 2.16491 -136.08564 618.04818
6485.0000 -139.64123 -135.86845 3.77278 2.19986 -135.56798 613.54959
6490.0000 -140.52576 -135.84882 4.67694 2.20015 -135.56360 611.03745
6495.0000 -141.77179 -137.60210 4.16970 2.14012 -136.45272 587.48312
6500.0000 -141.45812 -137.79966 3.65846 2.08095 -137.32919 537.79903
FREEZING PROCESS: loop number 27 T-loop= 550.00000000000000
main_MD> interactions number 27 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98977 3.11712 -2.09410
force_rgl> df(natom) 2.02198 -0.56612 0.19250
6505.0000 -140.83049 -136.64199 4.18850 2.10173 -137.02141 550.15093
6510.0000 -140.40183 -136.75874 3.64309 2.13206 -136.57216 585.70125
6515.0000 -141.01932 -137.40623 3.61308 2.09453 -137.12806 562.70204
6520.0000 -141.30134 -137.12248 4.17886 2.07613 -137.40057 523.98344
6525.0000 -141.47077 -136.50404 4.96673 2.11696 -136.79577 552.43306
6530.0000 -140.88553 -136.25053 4.63501 2.14415 -136.39303 583.29261
6535.0000 -141.04312 -136.97210 4.07102 2.13207 -136.57192 574.07642
6540.0000 -141.46099 -137.45608 4.00492 2.07577 -137.40578 508.98302
6545.0000 -141.44316 -137.40540 4.03776 2.07502 -137.41690 520.64916
6550.0000 -141.16017 -136.85184 4.30833 2.09608 -137.10506 548.16810
6555.0000 -140.79049 -137.07283 3.71766 2.10496 -136.97351 554.34909
6560.0000 -141.08686 -137.45666 3.63021 2.10881 -136.91644 550.39135
6565.0000 -141.35752 -137.57891 3.77860 2.07909 -137.35666 529.32845
6570.0000 -140.91576 -137.07032 3.84544 2.10135 -137.02695 561.34647
6575.0000 -141.68084 -137.20539 4.47545 2.06541 -137.55933 530.92563
6580.0000 -141.18819 -137.60821 3.57998 2.07424 -137.42846 520.77248
6585.0000 -140.72451 -137.17361 3.55090 2.05891 -137.65561 518.56266
6590.0000 -141.87934 -138.11109 3.76825 2.05552 -137.70582 538.39074
6595.0000 -142.05850 -137.88488 4.17362 2.05838 -137.66345 529.64088
6600.0000 -140.41299 -136.86445 3.54853 2.02913 -138.09657 511.89002
6605.0000 -141.47246 -137.08247 4.39000 2.14704 -136.35024 626.04643
6610.0000 -142.57408 -138.88493 3.68914 2.06168 -137.61451 566.46237
6615.0000 -142.11978 -137.99741 4.12237 2.01268 -138.34033 498.52696
6620.0000 -142.72926 -138.55231 4.17695 2.01378 -138.32399 498.04575
6625.0000 -140.94615 -136.70886 4.23729 2.03655 -137.98667 484.95252
6630.0000 -141.33533 -137.21602 4.11931 2.11800 -136.78037 566.81621
6635.0000 -140.78515 -137.22072 3.56442 2.09348 -137.14360 549.33840
6640.0000 -141.48040 -137.27018 4.21022 2.05807 -137.66795 486.07454
6645.0000 -141.13895 -136.96330 4.17565 2.11604 -136.80946 554.68723
6650.0000 -141.51464 -137.34958 4.16506 2.08926 -137.20606 525.84361
6655.0000 -141.98952 -138.75206 3.23747 2.04608 -137.84560 489.97471
6660.0000 -141.23188 -137.94787 3.28401 2.04285 -137.89339 472.21273
6665.0000 -141.21001 -137.08255 4.12746 2.05735 -137.67871 505.28093
6670.0000 -141.38311 -137.83193 3.55119 2.11038 -136.89321 565.32969
6675.0000 -141.53989 -137.65367 3.88622 2.06395 -137.58085 539.18377
6680.0000 -142.40514 -137.88461 4.52053 2.07669 -137.39229 593.45869
6685.0000 -141.23280 -137.79764 3.43516 2.00698 -138.42466 538.52039
6690.0000 -141.84333 -137.48759 4.35574 2.09037 -137.18958 607.84596
6695.0000 -140.57957 -137.17450 3.40507 2.09188 -137.16726 566.16987
6700.0000 -142.42635 -138.45428 3.97207 2.07223 -137.45825 556.85850
6705.0000 -142.53332 -137.97644 4.55688 2.01348 -138.32842 539.67026
6710.0000 -141.58322 -136.98794 4.59528 2.07896 -137.35855 594.60684
6715.0000 -142.47950 -138.45255 4.02695 2.03184 -138.05649 536.91357
6720.0000 -141.52706 -137.55781 3.96925 2.05241 -137.75190 553.08577
6725.0000 -141.37080 -137.34002 4.03078 2.05604 -137.69809 547.70284
6730.0000 -141.32341 -136.86865 4.45477 2.10532 -136.96818 591.05896
6735.0000 -141.78709 -137.54014 4.24695 2.10825 -136.92486 602.77644
6740.0000 -142.34444 -137.79585 4.54859 2.06288 -137.59673 583.60880
6745.0000 -141.55359 -137.24722 4.30637 2.02827 -138.10932 555.12580
6750.0000 -140.66023 -136.47442 4.18581 2.11643 -136.80368 594.70878
FREEZING PROCESS: loop number 28 T-loop= 525.00000000000000
main_MD> interactions number 28 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.30273 0.32608 -0.31759
force_rgl> df(natom) -2.98353 1.45161 3.83035
6755.0000 -141.79508 -137.62035 4.17472 2.09847 -137.06960 552.09919
6760.0000 -141.93835 -138.34950 3.58885 2.02083 -138.21951 506.90786
6765.0000 -142.36660 -138.77399 3.59261 2.00859 -138.40087 520.38900
6770.0000 -142.87400 -138.99855 3.87545 1.98579 -138.73849 508.63877
6775.0000 -142.80238 -139.28942 3.51296 1.97240 -138.93686 491.52981
6780.0000 -141.93570 -138.09813 3.83757 1.98702 -138.72037 510.07515
6785.0000 -142.55007 -138.46892 4.08115 1.99807 -138.55661 532.06098
6790.0000 -142.96969 -138.38419 4.58550 1.98251 -138.78713 518.88893
6795.0000 -142.03921 -138.35743 3.68178 2.01621 -138.28805 556.47154
6800.0000 -142.49607 -139.17029 3.32578 1.98464 -138.75551 528.32923
6805.0000 -142.86102 -139.29085 3.57017 1.94135 -139.39675 491.14053
6810.0000 -143.10136 -139.31931 3.78205 1.93082 -139.55263 484.42771
6815.0000 -143.88886 -140.13467 3.75419 1.91471 -139.79134 478.42665
6820.0000 -142.12745 -139.12015 3.00730 1.96566 -139.03672 512.10920
6825.0000 -142.44536 -138.05568 4.38968 2.01008 -138.37885 532.13196
6830.0000 -142.41117 -138.79220 3.61896 1.99870 -138.54728 534.84279
6835.0000 -142.25597 -137.72750 4.52847 1.99318 -138.62913 545.23868
6840.0000 -142.40298 -137.94692 4.45606 2.03642 -137.98871 582.20136
6845.0000 -143.12749 -139.80619 3.32130 1.93534 -139.48575 495.76322
6850.0000 -142.84628 -138.43088 4.41540 1.97373 -138.91721 510.07305
6855.0000 -142.85993 -138.37902 4.48091 2.00905 -138.39403 539.28622
6860.0000 -142.33552 -138.59328 3.74224 2.00160 -138.50443 523.99824
6865.0000 -142.43210 -138.44354 3.98856 2.00380 -138.47178 540.26870
6870.0000 -143.16753 -139.36434 3.80319 1.98467 -138.75506 526.68582
6875.0000 -142.64650 -138.61644 4.03006 1.99566 -138.59240 547.15945
6880.0000 -143.57634 -140.17564 3.40070 1.93767 -139.45124 490.48611
6885.0000 -142.64025 -138.84378 3.79647 1.94583 -139.33046 501.83111
6890.0000 -143.15141 -139.69063 3.46077 1.94762 -139.30383 515.45766
6895.0000 -142.71810 -139.14079 3.57731 1.92457 -139.64532 496.96448
6900.0000 -143.04788 -139.29200 3.75588 1.93527 -139.48676 495.27295
6905.0000 -142.30018 -138.95828 3.34190 1.97569 -138.88816 524.13371
6910.0000 -142.11423 -138.57113 3.54310 1.97847 -138.84695 516.66443
6915.0000 -142.47295 -139.60992 2.86304 1.96947 -138.98025 519.63330
6920.0000 -143.29915 -138.88588 4.41327 1.94907 -139.28235 502.75415
6925.0000 -142.89328 -138.99207 3.90122 1.96488 -139.04827 526.38004
6930.0000 -142.44107 -138.73253 3.70854 1.97189 -138.94448 510.50584
6935.0000 -142.30088 -138.61673 3.68415 1.97877 -138.84250 513.31538
6940.0000 -142.38287 -138.68641 3.69646 2.01168 -138.35502 526.58799
6945.0000 -141.87523 -138.88625 2.98898 1.98291 -138.78126 468.62914
6950.0000 -142.18253 -138.63013 3.55240 1.96885 -138.98939 465.07638
6955.0000 -142.44377 -138.99865 3.44511 1.99912 -138.54112 506.38606
6960.0000 -142.59450 -138.41779 4.17671 1.97750 -138.86126 499.54668
6965.0000 -141.90346 -137.89767 4.00579 2.03123 -138.06560 534.80286
6970.0000 -143.10608 -139.20192 3.90416 1.95065 -139.25902 500.10386
6975.0000 -142.51296 -138.81183 3.70113 1.93862 -139.43719 503.69253
6980.0000 -142.12645 -138.32863 3.79783 1.99005 -138.67544 534.38846
6985.0000 -142.58721 -138.91846 3.66875 1.98842 -138.69954 532.00641
6990.0000 -142.32121 -137.96467 4.35654 2.00871 -138.39906 536.39826
6995.0000 -141.99088 -138.66438 3.32649 2.02694 -138.12914 561.78211
7000.0000 -142.56711 -138.19277 4.37434 2.02445 -138.16590 557.51028
FREEZING PROCESS: loop number 29 T-loop= 500.00000000000000
main_MD> interactions number 29 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.46020 0.52871 -1.40980
force_rgl> df(natom) 0.58983 -1.85520 -0.33007
7005.0000 -142.73639 -138.81096 3.92543 2.02041 -138.22579 548.01551
7010.0000 -142.53665 -138.83655 3.70010 1.96406 -139.06039 485.45035
7015.0000 -141.90542 -138.51197 3.39345 2.00420 -138.46586 514.22826
7020.0000 -141.71257 -138.24484 3.46773 2.00553 -138.44616 517.88749
7025.0000 -141.96246 -138.49690 3.46556 1.99901 -138.54276 498.87663
7030.0000 -142.16429 -138.47510 3.68919 1.97794 -138.85485 487.61586
7035.0000 -142.04255 -138.10312 3.93942 2.02731 -138.12360 522.54804
7040.0000 -141.83598 -137.65750 4.17848 2.04806 -137.81624 508.68635
7045.0000 -141.80956 -138.33781 3.47175 2.02438 -138.16705 509.85238
7050.0000 -142.73601 -138.17839 4.55762 2.02233 -138.19732 508.86577
7055.0000 -142.65760 -139.49679 3.16081 1.97247 -138.93583 493.61294
7060.0000 -143.47003 -139.76783 3.70220 1.92059 -139.70417 449.53094
7065.0000 -142.57827 -138.86944 3.70883 1.91414 -139.79972 459.73016
7070.0000 -143.18818 -138.90261 4.28556 1.95919 -139.13252 500.68028
7075.0000 -143.09452 -139.42601 3.66851 1.97784 -138.85622 511.08429
7080.0000 -143.07633 -139.59305 3.48328 1.94728 -139.30888 467.64766
7085.0000 -142.81114 -139.37116 3.43998 1.94635 -139.32265 482.78481
7090.0000 -142.71957 -139.55549 3.16408 1.94500 -139.34267 475.03230
7095.0000 -142.03165 -138.45731 3.57434 1.98820 -138.70287 502.65381
7100.0000 -142.46434 -137.58778 4.87656 2.01802 -138.26124 546.25781
7105.0000 -142.76559 -137.96779 4.79780 2.02089 -138.21867 547.33239
7110.0000 -143.12834 -139.28638 3.84197 1.97255 -138.93466 506.59794
7115.0000 -142.21498 -138.33330 3.88168 1.96209 -139.08951 499.96041
7120.0000 -143.15782 -138.77837 4.37944 1.97916 -138.83680 513.48680
7125.0000 -143.13816 -139.36167 3.77649 1.97145 -138.95087 505.43743
7130.0000 -143.12617 -139.17002 3.95614 1.95080 -139.25683 491.89422
7135.0000 -142.23330 -138.55565 3.67765 1.95970 -139.12489 491.01443
7140.0000 -143.20056 -139.56248 3.63809 1.97670 -138.87315 495.11138
7145.0000 -142.83725 -139.57812 3.25913 1.93608 -139.47476 469.35607
7150.0000 -142.80181 -139.25844 3.54338 1.94955 -139.27531 478.36190
7155.0000 -143.07304 -139.45848 3.61455 1.94483 -139.34525 469.16034
7160.0000 -141.58981 -137.96942 3.62039 1.98540 -138.74438 513.72187
7165.0000 -142.28137 -138.79899 3.48237 1.99917 -138.54035 520.43033
7170.0000 -143.22136 -139.35724 3.86413 1.93724 -139.45764 476.79427
7175.0000 -142.90227 -139.46725 3.43503 1.95652 -139.17201 494.85658
7180.0000 -143.05608 -139.53372 3.52236 1.94471 -139.34694 483.69286
7185.0000 -142.60171 -138.93767 3.66404 1.92981 -139.56771 475.77591
7190.0000 -142.66414 -138.95884 3.70531 1.99092 -138.66251 515.96351
7195.0000 -141.65671 -138.09670 3.56002 2.01954 -138.23863 500.88593
7200.0000 -142.19326 -138.21480 3.97846 2.01780 -138.26438 496.40551
7205.0000 -142.19646 -138.78760 3.40886 1.99690 -138.57403 468.61051
7210.0000 -142.47256 -138.37972 4.09284 2.01356 -138.32727 522.09828
7215.0000 -142.56782 -138.62269 3.94513 1.99974 -138.53192 523.00786
7220.0000 -143.42453 -139.82250 3.60203 1.94256 -139.37878 470.24254
7225.0000 -142.42803 -139.00329 3.42474 1.92755 -139.60120 431.99615
7230.0000 -141.88410 -138.00587 3.87823 2.01824 -138.25795 494.32876
7235.0000 -141.86299 -138.18198 3.68101 2.02153 -138.20919 513.53037
7240.0000 -142.41299 -138.62962 3.78338 2.00400 -138.46889 499.76293
7245.0000 -141.54671 -137.82858 3.71813 1.99834 -138.55268 470.40960
7250.0000 -141.63724 -137.36603 4.27121 2.07027 -137.48735 500.73657
FREEZING PROCESS: loop number 30 T-loop= 475.00000000000000
main_MD> interactions number 30 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.99073 0.13155 -0.24598
force_rgl> df(natom) 0.74262 2.02272 -0.83417
7255.0000 -141.18603 -137.42269 3.76334 2.09248 -137.15841 536.12469
7260.0000 -141.44072 -137.91904 3.52168 2.04883 -137.80481 515.50966
7265.0000 -141.70255 -138.55694 3.14562 2.01244 -138.34385 480.56728
7270.0000 -142.31440 -138.72166 3.59274 1.99828 -138.55350 470.93022
7275.0000 -142.48732 -138.75359 3.73373 1.97474 -138.90214 448.31125
7280.0000 -142.12560 -138.28920 3.83640 1.98676 -138.72417 467.56873
7285.0000 -142.21383 -138.51196 3.70186 1.98490 -138.75170 458.16477
7290.0000 -143.16482 -139.27432 3.89050 1.98356 -138.77162 475.84798
7295.0000 -142.11346 -138.69259 3.42087 1.97183 -138.94524 466.70903
7300.0000 -141.55905 -138.11687 3.44218 1.95877 -139.13867 433.57910
7305.0000 -141.67814 -138.29120 3.38694 2.04317 -137.88875 503.49238
7310.0000 -141.53697 -137.51730 4.01967 2.03845 -137.95864 507.35035
7315.0000 -142.42433 -138.65588 3.76846 2.02463 -138.16330 500.10077
7320.0000 -142.29529 -138.55681 3.73848 1.99948 -138.53581 508.33180
7325.0000 -142.92680 -139.07142 3.85537 1.97940 -138.83316 485.15356
7330.0000 -142.92226 -139.93859 2.98367 1.95988 -139.12236 463.54218
7335.0000 -142.29128 -139.51516 2.77612 1.93582 -139.47857 440.17286
7340.0000 -143.13192 -139.07059 4.06133 1.94603 -139.32745 449.43606
7345.0000 -142.83691 -139.37939 3.45751 1.95315 -139.22192 448.59048
7350.0000 -143.16965 -140.08869 3.08096 1.90189 -139.98112 429.48599
7355.0000 -143.42668 -139.58045 3.84624 1.93818 -139.44375 467.97269
7360.0000 -142.90535 -139.25764 3.64771 1.93658 -139.46738 458.40981
7365.0000 -142.45370 -139.30699 3.14671 1.96514 -139.04432 467.56036
7370.0000 -142.17336 -139.48703 2.68633 1.97207 -138.94176 464.17653
7375.0000 -142.02428 -138.76988 3.25440 1.95201 -139.23885 428.27975
7380.0000 -142.31524 -139.33184 2.98340 1.97659 -138.87479 447.56252
7385.0000 -142.05116 -138.63924 3.41192 1.98627 -138.73142 458.11531
7390.0000 -141.78854 -138.85023 2.93831 1.99050 -138.66872 476.68782
7395.0000 -141.38530 -138.85818 2.52713 2.00756 -138.41612 463.92970
7400.0000 -142.35830 -138.35783 4.00047 2.01579 -138.29422 497.65803
7405.0000 -141.97048 -138.40721 3.56327 2.02374 -138.17645 496.24557
7410.0000 -142.27567 -138.54986 3.72582 2.00214 -138.49636 490.42062
7415.0000 -142.08119 -138.87075 3.21044 1.94808 -139.29709 443.30340
7420.0000 -142.23683 -138.39108 3.84575 1.96228 -139.08674 456.09169
7425.0000 -142.06119 -138.62684 3.43435 1.99948 -138.53582 497.84551
7430.0000 -143.00048 -139.84324 3.15724 1.92628 -139.61994 430.25896
7435.0000 -142.32263 -139.09503 3.22760 1.94965 -139.27385 464.15504
7440.0000 -142.48012 -138.78071 3.69941 1.96882 -138.98983 466.95348
7445.0000 -142.91772 -139.37079 3.54694 1.97198 -138.94309 491.86022
7450.0000 -142.00341 -138.44225 3.56116 2.00720 -138.42142 513.32916
7455.0000 -142.83084 -139.67717 3.15367 1.97879 -138.84222 479.60263
7460.0000 -142.91415 -138.85374 4.06042 1.93930 -139.42707 465.70639
7465.0000 -142.62477 -139.29208 3.33269 1.96340 -139.07022 483.03727
7470.0000 -142.35920 -139.17909 3.18012 1.95241 -139.23297 464.98652
7475.0000 -142.35886 -139.37365 2.98521 1.95511 -139.19289 455.98911
7480.0000 -142.18759 -138.27116 3.91643 1.98369 -138.76968 476.86147
7485.0000 -142.96003 -139.66810 3.29193 1.96050 -139.11309 479.35212
7490.0000 -142.17971 -138.90258 3.27713 1.96127 -139.10173 492.11874
7495.0000 -142.37266 -138.49459 3.87808 2.02515 -138.15560 534.58777
7500.0000 -143.14048 -139.52637 3.61411 1.96117 -139.10320 473.67050
FREEZING PROCESS: loop number 31 T-loop= 450.00000000000000
main_MD> interactions number 31 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.64625 0.49251 1.72182
force_rgl> df(natom) -1.77799 -0.99054 -1.96715
7505.0000 -143.66221 -139.96811 3.69410 1.93651 -139.46840 462.75091
7510.0000 -143.17069 -140.09497 3.07572 1.89389 -140.09967 428.78657
7515.0000 -142.95472 -139.26308 3.69164 1.93504 -139.49022 465.71272
7520.0000 -142.42283 -138.85486 3.56796 1.93469 -139.49544 463.06156
7525.0000 -142.87236 -139.33793 3.53443 1.94824 -139.29475 474.43677
7530.0000 -142.81868 -139.31039 3.50829 1.92921 -139.57662 452.93436
7535.0000 -142.49760 -139.04446 3.45314 1.95776 -139.15367 489.72016
7540.0000 -142.15659 -138.86766 3.28893 1.96954 -138.97918 490.31257
7545.0000 -142.00794 -138.98268 3.02526 1.97190 -138.94429 484.98132
7550.0000 -142.53603 -139.49803 3.03800 1.94556 -139.33438 455.50648
7555.0000 -141.82068 -139.43246 2.38822 1.94461 -139.34850 437.59585
7560.0000 -142.25229 -138.98738 3.26491 1.96732 -139.01204 430.23207
7565.0000 -142.08205 -138.86138 3.22068 1.94982 -139.27133 446.72456
7570.0000 -142.57266 -139.26037 3.31229 1.93176 -139.53875 431.28237
7575.0000 -142.17709 -138.75957 3.41752 1.96259 -139.08220 464.65585
7580.0000 -142.07406 -138.50000 3.57406 2.02154 -138.20909 515.57651
7585.0000 -142.59044 -139.00842 3.58203 1.99929 -138.53854 494.57658
7590.0000 -143.37700 -139.87693 3.50007 1.94677 -139.31642 447.57978
7595.0000 -142.91969 -139.77708 3.14260 1.90423 -139.94653 417.23124
7600.0000 -142.56026 -138.34866 4.21160 1.96135 -139.10058 461.73485
7605.0000 -142.28571 -138.85887 3.42684 1.99003 -138.67576 475.95142
7610.0000 -142.57988 -139.20716 3.37272 1.94495 -139.34343 458.21018
7615.0000 -142.60220 -139.75133 2.85087 1.93815 -139.44408 447.91172
7620.0000 -142.94617 -139.72260 3.22357 1.92013 -139.71104 435.99913
7625.0000 -142.38525 -138.97329 3.41196 1.93731 -139.45661 461.80264
7630.0000 -142.52355 -139.04643 3.47712 1.96644 -139.02513 480.17537
7635.0000 -142.48727 -138.90106 3.58621 1.97999 -138.82445 473.43905
7640.0000 -142.92762 -138.97700 3.95062 1.97057 -138.96394 498.44901
7645.0000 -142.91578 -140.14351 2.77226 1.92412 -139.65194 444.35479
7650.0000 -142.45861 -139.11705 3.34157 1.93903 -139.43109 443.32169
7655.0000 -142.58980 -138.84561 3.74420 1.98306 -138.77895 476.42952
7660.0000 -143.09961 -139.64972 3.44989 1.97662 -138.87439 482.41638
7665.0000 -142.87584 -139.41405 3.46178 1.91836 -139.73725 446.99914
7670.0000 -143.43301 -140.30556 3.12745 1.90125 -139.99060 450.15000
7675.0000 -143.67847 -140.90483 2.77364 1.84287 -140.85528 388.30807
7680.0000 -143.52732 -140.31713 3.21019 1.87663 -140.35523 421.73190
7685.0000 -143.12780 -139.83784 3.28995 1.89671 -140.05789 445.35198
7690.0000 -142.94973 -139.25175 3.69799 1.92629 -139.61984 458.70091
7695.0000 -143.23356 -140.39749 2.83607 1.90919 -139.87310 428.60746
7700.0000 -143.41161 -140.23915 3.17246 1.90268 -139.96951 441.80879
7705.0000 -143.35134 -140.04309 3.30824 1.89584 -140.07078 436.94499
7710.0000 -143.69792 -140.68972 3.00820 1.88575 -140.22019 425.04248
7715.0000 -143.65960 -140.54656 3.11304 1.86414 -140.54035 419.05927
7720.0000 -144.17333 -140.67955 3.49378 1.86558 -140.51903 413.42732
7725.0000 -143.92699 -140.69416 3.23283 1.84879 -140.76765 401.14487
7730.0000 -143.72774 -140.71214 3.01560 1.86018 -140.59894 412.79007
7735.0000 -143.42759 -140.01959 3.40800 1.87986 -140.30748 424.33270
7740.0000 -143.09625 -139.52605 3.57020 1.92279 -139.67156 452.70177
7745.0000 -142.38037 -139.00215 3.37822 1.96636 -139.02638 488.87701
7750.0000 -142.76890 -139.17582 3.59308 1.96425 -139.05760 481.92968
FREEZING PROCESS: loop number 32 T-loop= 425.00000000000000
main_MD> interactions number 32 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17838 -1.07498 5.70358
force_rgl> df(natom) -3.76905 -1.83117 -1.04752
7755.0000 -143.07434 -140.08032 2.99402 1.89050 -140.14983 412.15865
7760.0000 -143.05130 -139.81021 3.24109 1.91561 -139.77798 438.42262
7765.0000 -143.68493 -140.93021 2.75472 1.87979 -140.30858 422.16101
7770.0000 -143.45283 -140.60552 2.84731 1.84377 -140.84196 389.21372
7775.0000 -143.25769 -139.96421 3.29349 1.89899 -140.02414 435.69656
7780.0000 -143.65355 -139.67609 3.97747 1.91135 -139.84100 438.79517
7785.0000 -143.56695 -139.73986 3.82709 1.91364 -139.80718 435.63878
7790.0000 -143.64109 -140.06939 3.57170 1.89434 -140.09293 430.67089
7795.0000 -144.06087 -140.84700 3.21388 1.87332 -140.40432 399.76927
7800.0000 -143.15263 -139.35971 3.79292 1.88995 -140.15809 411.65350
7805.0000 -143.19497 -140.01246 3.18251 1.92782 -139.59720 458.48596
7810.0000 -142.85080 -140.03873 2.81208 1.90422 -139.94661 441.19099
7815.0000 -144.39926 -140.97190 3.42736 1.86530 -140.52312 427.91023
7820.0000 -143.87605 -140.63668 3.23937 1.86809 -140.48184 438.05226
7825.0000 -144.13895 -141.45164 2.68731 1.81883 -141.21141 393.29667
7830.0000 -143.63599 -140.37244 3.26355 1.84326 -140.84954 415.14579
7835.0000 -143.52766 -140.30128 3.22638 1.88947 -140.16507 466.65111
7840.0000 -143.34490 -140.87461 2.47028 1.87073 -140.44271 437.92742
7845.0000 -143.31833 -140.12584 3.19249 1.85985 -140.60386 416.70372
7850.0000 -143.78279 -140.34829 3.43450 1.87233 -140.41898 437.44248
7855.0000 -144.49544 -140.69163 3.80381 1.86408 -140.54112 425.44783
7860.0000 -143.84464 -141.10438 2.74026 1.81547 -141.26122 383.66503
7865.0000 -143.61837 -140.14874 3.46963 1.85529 -140.67132 423.85391
7870.0000 -144.05864 -140.85940 3.19924 1.87316 -140.40675 447.15350
7875.0000 -144.03316 -141.11971 2.91346 1.83735 -140.93709 405.95441
7880.0000 -143.52271 -140.83755 2.68516 1.84326 -140.84956 411.79371
7885.0000 -143.23822 -139.97263 3.26559 1.87846 -140.32824 434.90412
7890.0000 -143.77434 -140.31707 3.45727 1.89120 -140.13957 448.55167
7895.0000 -143.35062 -140.06489 3.28573 1.86865 -140.47349 434.55937
7900.0000 -142.87746 -139.17636 3.70109 1.91752 -139.74962 472.89247
7905.0000 -143.74958 -140.79793 2.95165 1.90294 -139.96569 467.15837
7910.0000 -143.87206 -140.76248 3.10958 1.84666 -140.79912 417.41432
7915.0000 -142.90537 -139.99885 2.90652 1.88246 -140.26889 444.90648
7920.0000 -142.94411 -139.66292 3.28119 1.92764 -139.59986 476.41593
7925.0000 -142.79920 -140.01723 2.78198 1.93950 -139.42420 480.48024
7930.0000 -143.88010 -140.88870 2.99140 1.88388 -140.24794 436.42077
7935.0000 -143.43407 -140.45374 2.98033 1.86031 -140.59695 423.55059
7940.0000 -143.77716 -140.01437 3.76278 1.89907 -140.02298 445.04049
7945.0000 -143.98160 -141.26307 2.71853 1.86440 -140.53646 424.89564
7950.0000 -143.98645 -140.76781 3.21864 1.83715 -140.93997 403.87488
7955.0000 -143.65705 -140.67646 2.98059 1.86174 -140.57590 421.28604
7960.0000 -143.86059 -140.89828 2.96231 1.86544 -140.52105 425.96617
7965.0000 -144.27649 -141.52187 2.75462 1.83405 -140.98603 400.00524
7970.0000 -143.77006 -140.39657 3.37348 1.84047 -140.89089 398.33250
7975.0000 -143.28793 -139.85403 3.43390 1.88056 -140.29705 444.32626
7980.0000 -143.64978 -140.38652 3.26326 1.88812 -140.18506 449.74769
7985.0000 -143.64400 -140.87500 2.76900 1.83413 -140.98471 402.08494
7990.0000 -143.54181 -140.49340 3.04841 1.84531 -140.81914 398.82873
7995.0000 -143.73355 -141.00359 2.72996 1.84644 -140.80252 407.08827
8000.0000 -144.17073 -140.85872 3.31201 1.83080 -141.03413 398.97065
FREEZING PROCESS: loop number 33 T-loop= 400.00000000000000
main_MD> interactions number 33 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27132 0.27271 -2.28544
force_rgl> df(natom) 0.51938 1.88482 0.48886
8005.0000 -144.07795 -141.36920 2.70875 1.81227 -141.30849 379.34020
8010.0000 -143.83925 -141.25824 2.58101 1.81035 -141.33704 374.48270
8015.0000 -143.72621 -140.80637 2.91984 1.83309 -141.00017 394.39193
8020.0000 -144.78447 -141.94161 2.84285 1.78918 -141.65052 366.28666
8025.0000 -144.32190 -141.16118 3.16073 1.81278 -141.30092 394.33587
8030.0000 -144.64322 -141.92363 2.71959 1.79248 -141.60165 373.20870
8035.0000 -144.48318 -141.61681 2.86637 1.79064 -141.62889 369.83684
8040.0000 -143.93931 -141.10093 2.83838 1.82259 -141.15569 412.35232
8045.0000 -144.42913 -141.58640 2.84272 1.80389 -141.43265 382.69025
8050.0000 -143.74011 -140.83172 2.90839 1.81919 -141.20605 380.80562
8055.0000 -143.63088 -141.01325 2.61762 1.82519 -141.11719 388.15872
8060.0000 -144.44232 -142.01504 2.42728 1.79860 -141.51099 373.84536
8065.0000 -144.05847 -140.95118 3.10729 1.80926 -141.35317 381.83566
8070.0000 -144.28177 -141.14563 3.13614 1.82736 -141.08498 387.98497
8075.0000 -144.22949 -141.25892 2.97057 1.81770 -141.22811 385.66131
8080.0000 -144.01595 -141.70019 2.31577 1.80785 -141.37399 374.44632
8085.0000 -143.93304 -141.08651 2.84653 1.79856 -141.51162 360.55161
8090.0000 -144.02766 -140.73845 3.28921 1.86109 -140.58547 426.35956
8095.0000 -143.54097 -140.31579 3.22518 1.86527 -140.52351 422.03595
8100.0000 -143.85618 -141.33376 2.52242 1.82880 -141.06367 393.61668
8105.0000 -144.27244 -141.45486 2.81758 1.82548 -141.11286 396.46795
8110.0000 -144.10185 -141.33827 2.76358 1.77259 -141.89626 346.59557
8115.0000 -144.08423 -141.47542 2.60881 1.80415 -141.42879 373.69173
8120.0000 -144.10820 -140.77819 3.33001 1.83778 -140.93073 401.72563
8125.0000 -144.15452 -141.42048 2.73404 1.81450 -141.27548 379.52979
8130.0000 -144.61133 -141.09680 3.51453 1.81241 -141.30653 373.87743
8135.0000 -143.51859 -140.62428 2.89431 1.85685 -140.64827 420.40481
8140.0000 -144.00432 -141.34764 2.65669 1.83569 -140.96172 414.38049
8145.0000 -144.22762 -141.57033 2.65729 1.80289 -141.44741 376.89753
8150.0000 -144.13423 -140.92057 3.21366 1.79554 -141.55637 368.52696
8155.0000 -144.20884 -141.39882 2.81003 1.81547 -141.26111 384.59303
8160.0000 -144.05718 -140.84757 3.20961 1.82424 -141.13121 390.62345
8165.0000 -143.56907 -140.74930 2.81977 1.85071 -140.73922 410.89973
8170.0000 -143.66991 -140.54373 3.12619 1.83450 -140.97927 389.07839
8175.0000 -143.90323 -141.14475 2.75848 1.84273 -140.85733 404.91085
8180.0000 -144.02074 -140.53077 3.48997 1.84414 -140.83648 406.35349
8185.0000 -143.93565 -140.53755 3.39810 1.87792 -140.33626 443.22046
8190.0000 -143.97418 -140.72211 3.25207 1.83914 -140.91054 421.16721
8195.0000 -144.53416 -141.54339 2.99076 1.81314 -141.29572 398.23149
8200.0000 -144.10945 -141.24490 2.86456 1.80533 -141.41136 383.90033
8205.0000 -143.41457 -140.59460 2.81997 1.84617 -140.80639 417.05713
8210.0000 -144.09504 -140.79407 3.30097 1.86584 -140.51517 418.21096
8215.0000 -143.37407 -140.37846 2.99562 1.83715 -140.94004 400.42059
8220.0000 -144.17752 -140.68862 3.48890 1.86826 -140.47930 435.60003
8225.0000 -144.03062 -140.46494 3.56569 1.85276 -140.70886 418.75217
8230.0000 -143.63895 -140.94263 2.69632 1.84351 -140.84587 405.88259
8235.0000 -144.06949 -141.15786 2.91163 1.83291 -141.00286 399.95692
8240.0000 -144.31505 -141.91460 2.40045 1.79450 -141.57178 359.96569
8245.0000 -144.40911 -142.18866 2.22045 1.75874 -142.10138 333.18428
8250.0000 -144.42583 -141.82024 2.60560 1.75175 -142.20488 332.12588
FREEZING PROCESS: loop number 34 T-loop= 375.00000000000000
main_MD> interactions number 34 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99184 -0.42404 -2.31837
force_rgl> df(natom) 1.78631 0.42163 0.24118
8255.0000 -144.72387 -141.62890 3.09496 1.78881 -141.65597 369.27453
8260.0000 -144.56289 -142.02271 2.54018 1.78462 -141.71803 366.14701
8265.0000 -144.95932 -142.51192 2.44741 1.76046 -142.07584 342.28647
8270.0000 -144.95077 -142.19849 2.75228 1.75450 -142.16420 334.84569
8275.0000 -144.73254 -142.04287 2.68967 1.74961 -142.23660 328.75210
8280.0000 -144.63459 -141.47552 3.15907 1.76271 -142.04257 341.91971
8285.0000 -144.12155 -141.53549 2.58606 1.79888 -141.50689 375.21189
8290.0000 -144.22824 -141.71144 2.51680 1.77794 -141.81695 353.55862
8295.0000 -144.23401 -141.67222 2.56179 1.79771 -141.52414 365.72714
8300.0000 -144.20694 -140.96866 3.23828 1.81095 -141.32815 381.12437
8305.0000 -144.32777 -141.15220 3.17557 1.82226 -141.16065 400.12505
8310.0000 -144.54440 -141.44577 3.09863 1.79477 -141.56775 373.23388
8315.0000 -144.36003 -142.16552 2.19451 1.76767 -141.96911 348.42539
8320.0000 -144.55021 -141.85560 2.69462 1.76315 -142.03605 346.20888
8325.0000 -144.31664 -141.82066 2.49597 1.77215 -141.90270 353.61102
8330.0000 -144.59490 -142.04577 2.54913 1.79073 -141.62764 371.84981
8335.0000 -144.54576 -142.25206 2.29371 1.74603 -142.28966 333.22823
8340.0000 -145.16981 -141.94374 3.22608 1.77873 -141.80532 358.31674
8345.0000 -144.69067 -141.73428 2.95639 1.78455 -141.71917 362.21250
8350.0000 -144.50534 -142.03758 2.46776 1.79059 -141.62966 365.04639
8355.0000 -144.09577 -141.27639 2.81938 1.80045 -141.48356 366.65301
8360.0000 -144.29949 -141.55289 2.74660 1.79930 -141.50067 369.33593
8365.0000 -144.07545 -141.33250 2.74295 1.81733 -141.23363 384.64335
8370.0000 -144.31795 -141.47656 2.84139 1.80722 -141.38339 374.32640
8375.0000 -144.11968 -141.45214 2.66755 1.80743 -141.38025 375.59303
8380.0000 -144.60086 -141.92912 2.67173 1.81559 -141.25931 378.60546
8385.0000 -144.52907 -141.55148 2.97759 1.75456 -142.16325 331.09443
8390.0000 -144.72842 -141.93978 2.78864 1.78171 -141.76114 362.35783
8395.0000 -144.80451 -142.19442 2.61009 1.76677 -141.98241 343.05721
8400.0000 -144.86065 -142.32981 2.53084 1.75693 -142.12822 322.94992
8405.0000 -144.15848 -141.60093 2.55754 1.77286 -141.89220 341.73921
8410.0000 -144.11806 -141.53136 2.58670 1.80684 -141.38899 379.90321
8415.0000 -144.53544 -141.37655 3.15889 1.80035 -141.48504 378.26464
8420.0000 -144.14149 -141.76569 2.37580 1.81084 -141.32968 379.92808
8425.0000 -143.96490 -141.83982 2.12508 1.79145 -141.61686 354.27965
8430.0000 -144.85567 -141.91163 2.94404 1.78754 -141.67485 357.13231
8435.0000 -143.94185 -141.20386 2.73799 1.78244 -141.75040 367.05858
8440.0000 -144.44639 -141.79254 2.65385 1.81378 -141.28622 387.95044
8445.0000 -144.25358 -141.50928 2.74430 1.81135 -141.32219 380.62888
8450.0000 -144.84638 -142.48787 2.35851 1.77474 -141.86443 350.90304
8455.0000 -144.07041 -141.79040 2.28001 1.74542 -142.29871 320.19230
8460.0000 -144.31850 -142.13889 2.17961 1.75670 -142.13163 327.14215
8465.0000 -144.09733 -141.53503 2.56231 1.76441 -142.01745 327.92351
8470.0000 -144.03466 -141.23342 2.80124 1.81597 -141.25377 381.32440
8475.0000 -143.87200 -141.04376 2.82824 1.82615 -141.10295 407.72160
8480.0000 -143.79752 -140.80696 2.99056 1.83422 -140.98348 412.59225
8485.0000 -144.52891 -141.67019 2.85871 1.81480 -141.27103 393.51725
8490.0000 -144.75153 -142.23490 2.51663 1.75140 -142.21010 335.50896
8495.0000 -144.59781 -141.91207 2.68574 1.76199 -142.05318 341.38733
8500.0000 -144.03819 -141.60898 2.42921 1.78066 -141.77673 362.29587
FREEZING PROCESS: loop number 35 T-loop= 350.00000000000000
main_MD> interactions number 35 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.64372 0.02341 -0.11862
force_rgl> df(natom) 0.73654 -0.25796 1.39987
8505.0000 -144.14007 -141.28893 2.85114 1.78299 -141.74214 365.70338
8510.0000 -144.04097 -141.36619 2.67478 1.80162 -141.46633 382.83562
8515.0000 -144.58656 -141.82180 2.76477 1.80337 -141.44035 378.92116
8520.0000 -143.89782 -141.53014 2.36768 1.80129 -141.47121 369.21677
8525.0000 -144.42365 -141.47766 2.94599 1.77627 -141.84169 348.53794
8530.0000 -145.14054 -141.77039 3.37015 1.78554 -141.70446 352.78720
8535.0000 -143.94903 -141.18514 2.76390 1.80118 -141.47277 369.75179
8540.0000 -144.17539 -141.43790 2.73749 1.81455 -141.27477 381.35771
8545.0000 -144.01987 -141.30624 2.71363 1.78535 -141.70729 356.36779
8550.0000 -144.24503 -141.70491 2.54012 1.80259 -141.45189 373.68364
8555.0000 -143.96439 -141.31430 2.65009 1.79521 -141.56118 359.49417
8560.0000 -144.52382 -142.23459 2.28923 1.81057 -141.33366 380.62934
8565.0000 -143.89817 -141.60215 2.29602 1.76301 -142.03807 337.42260
8570.0000 -144.94217 -142.07754 2.86462 1.78086 -141.77375 356.02003
8575.0000 -144.62221 -142.29366 2.32856 1.75215 -142.19895 330.40092
8580.0000 -143.89436 -141.76808 2.12628 1.76511 -142.00707 340.31275
8585.0000 -144.68481 -142.18548 2.49933 1.77076 -141.92328 346.91703
8590.0000 -144.26266 -141.42421 2.83845 1.76938 -141.94384 339.00118
8595.0000 -144.23713 -142.08377 2.15336 1.79780 -141.52292 360.80481
8600.0000 -144.49480 -141.89209 2.60271 1.76210 -142.05154 332.02121
8605.0000 -143.82569 -140.88108 2.94461 1.80098 -141.47573 363.20297
8610.0000 -144.30246 -141.83205 2.47042 1.82022 -141.19075 381.54405
8615.0000 -144.30022 -141.95735 2.34286 1.78192 -141.75805 348.91518
8620.0000 -144.58007 -142.15201 2.42806 1.75475 -142.16052 323.42510
8625.0000 -144.42687 -142.21553 2.21134 1.73595 -142.43896 304.79696
8630.0000 -144.40144 -142.33790 2.06354 1.74876 -142.24919 321.39144
8635.0000 -144.47410 -141.84886 2.62524 1.75106 -142.21510 321.12933
8640.0000 -144.42244 -141.70508 2.71736 1.76246 -142.04626 333.35069
8645.0000 -144.73667 -141.59006 3.14661 1.79923 -141.50164 367.17570
8650.0000 -144.39807 -141.57099 2.82708 1.80491 -141.41752 372.87470
8655.0000 -144.66681 -142.30577 2.36104 1.75302 -142.18611 333.85647
8660.0000 -144.27272 -141.90801 2.36471 1.76452 -142.01583 343.98481
8665.0000 -145.04050 -142.58976 2.45075 1.73685 -142.42559 318.35497
8670.0000 -144.34128 -141.57103 2.77025 1.78581 -141.70041 367.81501
8675.0000 -144.24410 -141.55106 2.69303 1.79356 -141.58559 373.62475
8680.0000 -144.40382 -141.92090 2.48292 1.79355 -141.58579 372.92817
8685.0000 -144.49153 -141.99821 2.49332 1.77056 -141.92637 354.48960
8690.0000 -144.86108 -142.22188 2.63920 1.77016 -141.93216 356.64725
8695.0000 -144.33764 -141.48611 2.85152 1.79371 -141.58344 375.62488
8700.0000 -144.24070 -142.01117 2.22953 1.79016 -141.63599 371.64326
8705.0000 -144.31537 -141.77520 2.54018 1.76920 -141.94642 347.21605
8710.0000 -144.59906 -142.03320 2.56586 1.77011 -141.93304 350.35104
8715.0000 -143.81986 -140.98597 2.83389 1.79426 -141.57534 376.34154
8720.0000 -144.86381 -142.11641 2.74740 1.79805 -141.51921 371.09054
8725.0000 -144.77677 -142.32078 2.45598 1.75872 -142.10169 331.50359
8730.0000 -144.38091 -142.23316 2.14775 1.76015 -142.08056 331.13057
8735.0000 -144.42867 -141.89504 2.53362 1.75549 -142.14947 325.33157
8740.0000 -144.03779 -141.31099 2.72680 1.78052 -141.77883 349.93940
8745.0000 -144.27476 -141.92564 2.34912 1.79089 -141.62523 359.15107
8750.0000 -144.43359 -142.18014 2.25346 1.75322 -142.18316 322.66795
FREEZING PROCESS: loop number 36 T-loop= 325.00000000000000
main_MD> interactions number 36 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35888 0.89951 -1.14183
force_rgl> df(natom) 1.32178 0.81051 -0.83295
8755.0000 -144.84160 -142.85642 1.98517 1.72258 -142.63698 295.96002
8760.0000 -143.97497 -141.68956 2.28541 1.75024 -142.22719 322.32495
8765.0000 -143.96815 -141.51534 2.45281 1.79821 -141.51677 371.02062
8770.0000 -144.26576 -141.84140 2.42436 1.79117 -141.62110 367.36644
8775.0000 -144.65771 -142.23742 2.42028 1.76606 -141.99300 342.68822
8780.0000 -144.67135 -142.15800 2.51335 1.73004 -142.52641 311.11390
8785.0000 -144.76046 -142.49945 2.26101 1.74213 -142.34733 324.90525
8790.0000 -144.75108 -142.31780 2.43327 1.74804 -142.25985 329.65637
8795.0000 -144.99985 -142.66633 2.33352 1.73379 -142.47084 306.94070
8800.0000 -145.05532 -142.97514 2.08018 1.72007 -142.67404 290.74523
8805.0000 -144.94225 -142.92674 2.01551 1.69933 -142.98129 269.51654
8810.0000 -144.51405 -142.41395 2.10010 1.70751 -142.86012 281.49115
8815.0000 -144.57087 -142.47033 2.10053 1.75149 -142.20882 331.80092
8820.0000 -144.83177 -142.68132 2.15046 1.73236 -142.49211 307.68503
8825.0000 -144.15720 -141.81869 2.33851 1.76043 -142.07640 331.87454
8830.0000 -144.49941 -142.06776 2.43165 1.75850 -142.10495 333.51819
8835.0000 -144.55232 -142.22229 2.33003 1.76552 -142.00100 334.66637
8840.0000 -144.77414 -142.45160 2.32254 1.73626 -142.43439 313.02944
8845.0000 -144.70835 -142.20700 2.50135 1.73265 -142.48782 318.12630
8850.0000 -144.67172 -142.14055 2.53117 1.76073 -142.07185 343.76993
8855.0000 -144.68712 -142.03842 2.64870 1.76674 -141.98285 339.88595
8860.0000 -144.30845 -141.70158 2.60687 1.78202 -141.75663 352.26690
8865.0000 -144.99232 -143.02537 1.96695 1.73818 -142.40589 311.46408
8870.0000 -144.75516 -142.44460 2.31056 1.72649 -142.57898 298.13163
8875.0000 -144.15048 -142.00390 2.14657 1.76960 -141.94052 341.52849
8880.0000 -144.32914 -142.27154 2.05760 1.78051 -141.77900 346.44364
8885.0000 -144.06998 -141.68484 2.38514 1.74438 -142.31413 314.08334
8890.0000 -144.33674 -141.81721 2.51953 1.79230 -141.60434 364.29700
8895.0000 -144.29022 -142.27701 2.01322 1.75344 -142.17982 327.46821
8900.0000 -144.06530 -141.62568 2.43961 1.77466 -141.86559 347.98642
8905.0000 -144.77918 -142.23148 2.54770 1.75663 -142.13263 323.08998
8910.0000 -144.18444 -141.30416 2.88028 1.77452 -141.86770 341.30751
8915.0000 -144.23233 -140.93753 3.29480 1.82264 -141.15493 380.20183
8920.0000 -144.16341 -141.45205 2.71136 1.80970 -141.34667 378.45614
8925.0000 -144.43198 -142.39481 2.03717 1.76652 -141.98611 346.03511
8930.0000 -144.98637 -143.09147 1.89491 1.70901 -142.83797 292.88703
8935.0000 -144.09929 -141.33636 2.76293 1.77860 -141.80715 360.95965
8940.0000 -145.04531 -142.62887 2.41644 1.77118 -141.91709 353.60303
8945.0000 -144.81947 -142.42108 2.39839 1.73368 -142.47260 320.41040
8950.0000 -144.59917 -142.20525 2.39392 1.73572 -142.44236 318.40651
8955.0000 -145.07765 -142.39164 2.68601 1.74611 -142.28841 329.53813
8960.0000 -145.02463 -142.70542 2.31921 1.72963 -142.53255 311.68081
8965.0000 -144.99733 -142.77762 2.21970 1.73829 -142.40429 321.50093
8970.0000 -144.97703 -142.15503 2.82200 1.73854 -142.40053 320.32329
8975.0000 -144.41087 -141.96995 2.44092 1.76564 -141.99913 344.18365
8980.0000 -144.31839 -141.79973 2.51865 1.76292 -142.03940 342.66376
8985.0000 -144.88520 -142.34303 2.54218 1.75747 -142.12020 338.86559
8990.0000 -144.73944 -142.25129 2.48816 1.75454 -142.16352 337.45445
8995.0000 -144.18595 -141.85904 2.32692 1.76222 -142.04984 347.35339
9000.0000 -144.67385 -142.02759 2.64626 1.76136 -142.06253 341.25394
FREEZING PROCESS: loop number 37 T-loop= 300.00000000000000
main_MD> interactions number 37 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01866 0.23904 1.51976
force_rgl> df(natom) 0.84182 -0.16131 0.39017
9005.0000 -144.50244 -142.56931 1.93313 1.74476 -142.30836 331.85925
9010.0000 -145.07709 -142.97702 2.10007 1.71394 -142.76487 296.15383
9015.0000 -144.75599 -142.80599 1.95000 1.70305 -142.92613 289.46693
9020.0000 -144.79252 -142.83865 1.95387 1.70147 -142.94966 285.47444
9025.0000 -145.09595 -142.69915 2.39680 1.71274 -142.78269 297.56366
9030.0000 -144.35225 -142.27570 2.07655 1.74114 -142.36197 322.59154
9035.0000 -144.76581 -142.92579 1.84003 1.73652 -142.43044 306.84253
9040.0000 -144.91338 -142.94695 1.96643 1.70176 -142.94534 276.54509
9045.0000 -145.08755 -142.94796 2.13959 1.71437 -142.75855 287.08521
9050.0000 -144.85272 -142.70657 2.14616 1.71520 -142.74625 292.79651
9055.0000 -144.84444 -142.70736 2.13708 1.72897 -142.54228 312.27679
9060.0000 -144.51573 -142.53369 1.98204 1.72826 -142.55281 315.43906
9065.0000 -145.08466 -142.94473 2.13994 1.72893 -142.54289 303.85225
9070.0000 -145.06963 -142.81539 2.25423 1.70713 -142.86582 281.72519
9075.0000 -145.17234 -142.44432 2.72802 1.71400 -142.76403 288.61890
9080.0000 -144.86959 -142.84264 2.02695 1.74043 -142.37262 311.38984
9085.0000 -144.38193 -142.16283 2.21909 1.72705 -142.57070 301.30170
9090.0000 -144.52703 -142.25336 2.27367 1.76060 -142.07387 334.35237
9095.0000 -144.76356 -142.37381 2.38975 1.73081 -142.51511 307.89036
9100.0000 -145.50589 -143.10267 2.40322 1.70481 -142.90008 277.66408
9105.0000 -144.65537 -142.74669 1.90868 1.70388 -142.91390 276.45084
9110.0000 -145.07373 -143.04784 2.02588 1.71116 -142.80614 285.51148
9115.0000 -144.65547 -142.60930 2.04617 1.71472 -142.75337 291.31626
9120.0000 -144.94827 -143.10928 1.83900 1.69485 -143.04766 278.50755
9125.0000 -144.85915 -142.79225 2.06690 1.69934 -142.98117 283.16849
9130.0000 -145.11855 -142.69932 2.41922 1.71826 -142.70098 303.56079
9135.0000 -144.87692 -142.72840 2.14852 1.69975 -142.97506 282.62579
9140.0000 -144.92136 -141.92299 2.99836 1.72547 -142.59411 308.81149
9145.0000 -144.71743 -142.52248 2.19495 1.75427 -142.16762 335.94254
9150.0000 -144.94913 -142.78105 2.16807 1.69298 -143.07540 275.94130
9155.0000 -144.88535 -142.52486 2.36049 1.72368 -142.62067 306.81269
9160.0000 -144.37867 -142.23817 2.14050 1.73334 -142.47756 317.30672
9165.0000 -145.07554 -142.83184 2.24371 1.72539 -142.59538 310.20741
9170.0000 -144.92434 -142.81401 2.11033 1.69600 -143.03059 282.90672
9175.0000 -145.08355 -142.82444 2.25912 1.70121 -142.95349 284.26919
9180.0000 -145.08881 -142.77119 2.31762 1.70915 -142.83591 293.61036
9185.0000 -145.20120 -143.36265 1.83854 1.69181 -143.09267 275.89289
9190.0000 -144.98487 -143.03765 1.94722 1.68769 -143.15375 275.63943
9195.0000 -145.39185 -143.18659 2.20526 1.69622 -143.02739 281.03692
9200.0000 -145.25144 -143.16580 2.08564 1.68914 -143.13223 276.01444
9205.0000 -145.23836 -143.15895 2.07941 1.69684 -143.01812 281.23972
9210.0000 -144.75626 -142.42210 2.33416 1.70546 -142.89050 291.05603
9215.0000 -144.75017 -142.43745 2.31272 1.73599 -142.43835 311.97901
9220.0000 -145.19511 -142.95076 2.24435 1.73013 -142.52511 306.22577
9225.0000 -145.23814 -142.88777 2.35037 1.69189 -143.09146 278.94847
9230.0000 -145.11412 -142.75255 2.36157 1.71835 -142.69956 306.86811
9235.0000 -144.98829 -142.88815 2.10014 1.70753 -142.85982 289.82506
9240.0000 -145.05812 -142.51609 2.54203 1.70997 -142.82367 282.96035
9245.0000 -144.60529 -142.08462 2.52067 1.72963 -142.53247 301.01274
9250.0000 -144.87370 -142.44662 2.42708 1.74927 -142.24170 325.29907
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 12 [min], 0.7180676 [s].
main_MD> Deallocating global variables
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