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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_30/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_30.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 = 30 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 30 3000
main_MD> Size of nv and nvoiz: 30 3000
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 = 30
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> -4.5036491071583383E-002 -3.2886841844269557E-002 0.10284216349826683 initial drift of cluster / NP1 for coalescence
init> 0.28630858465878412 0.35880976233224848 0.25044924597927043 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6250586627868528E-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) 0.71026 -0.93105 -0.36111
force_rgl> df(natom) -1.37271 -1.04653 0.28120
preparo> THERMALIZATION PROCESS AT 1144.1005914976040
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -66.449650531681456 2.7225965473328042 -69.172247079014255 5.1377711773545093E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1115.0000000000000
main_MD> interactions number 1 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66849 -1.59178 -1.44478
force_rgl> df(natom) -1.13152 0.35185 -0.72557
5.0000 -66.26536 -62.36358 3.90178 2.55482 -63.83345 1095.28485
10.0000 -67.04966 -62.60909 4.44057 2.66729 -62.74758 1229.39308
15.0000 -68.90238 -64.46739 4.43500 2.63144 -63.09370 1181.81694
20.0000 -68.61244 -64.85849 3.75395 2.48599 -64.49803 1113.25974
25.0000 -67.49782 -63.20292 4.29490 2.51953 -64.17416 1077.95488
30.0000 -67.81271 -64.05000 3.76271 2.58860 -63.50735 1145.54827
35.0000 -67.09626 -62.85907 4.23719 2.60788 -63.32116 1208.12810
40.0000 -66.71012 -61.86656 4.84355 2.69530 -62.47718 1244.26810
45.0000 -67.09229 -62.21812 4.87417 2.69703 -62.46048 1234.13502
50.0000 -66.67351 -62.16765 4.50586 2.73742 -62.07050 1202.77607
55.0000 -66.85957 -62.49748 4.36209 2.73403 -62.10325 1268.75875
60.0000 -68.25436 -63.48238 4.77198 2.68160 -62.60939 1205.33558
65.0000 -67.65458 -62.52968 5.12490 2.56346 -63.75010 1145.04774
70.0000 -69.70525 -63.80119 5.90406 2.59096 -63.48454 1180.21842
75.0000 -66.93854 -61.78337 5.15517 2.62230 -63.18197 1165.70097
80.0000 -66.54844 -61.71855 4.82989 2.85155 -60.96858 1349.79036
85.0000 -66.44776 -61.11498 5.33278 2.84879 -60.99525 1352.35241
90.0000 -67.55338 -63.24480 4.30858 2.70485 -62.38496 1284.19311
95.0000 -66.85472 -61.98994 4.86478 2.73204 -62.12246 1205.55808
100.0000 -67.50013 -62.15238 5.34775 2.77969 -61.66243 1316.67091
105.0000 -66.13011 -61.60268 4.52743 2.70100 -62.42210 1210.95401
110.0000 -68.09118 -64.27591 3.81527 2.65615 -62.85517 1223.00456
115.0000 -68.60080 -63.92282 4.67798 2.46209 -64.72882 1024.26048
120.0000 -66.96012 -62.15037 4.80975 2.67342 -62.68837 1211.81902
125.0000 -66.32680 -62.48820 3.83861 2.74764 -61.97187 1274.73296
130.0000 -68.15156 -64.23981 3.91175 2.65613 -62.85534 1194.22977
135.0000 -68.57182 -64.58710 3.98472 2.50371 -64.32691 1025.16968
140.0000 -67.38072 -63.91370 3.46701 2.52079 -64.16205 1057.12575
145.0000 -67.48870 -63.20168 4.28701 2.57102 -63.67710 1134.37805
150.0000 -68.52747 -64.79589 3.73158 2.54932 -63.88657 1108.61428
155.0000 -67.52150 -63.47033 4.05117 2.57507 -63.63797 1165.46332
160.0000 -68.15012 -62.65142 5.49870 2.64524 -62.96050 1244.69558
165.0000 -68.03712 -63.46585 4.57128 2.57551 -63.63373 1117.05126
170.0000 -67.81862 -62.35806 5.46056 2.64075 -63.00380 1190.10939
175.0000 -67.98610 -63.76620 4.21990 2.60536 -63.34557 1176.83479
180.0000 -67.39129 -62.57347 4.81781 2.65053 -62.90944 1165.07841
185.0000 -67.42093 -62.43470 4.98624 2.69845 -62.44678 1238.93789
190.0000 -68.53572 -63.91693 4.61879 2.62438 -63.16191 1208.80279
195.0000 -66.29814 -62.13771 4.16043 2.60451 -63.35373 1099.48846
200.0000 -67.45156 -63.21225 4.23930 2.63550 -63.05450 1126.41404
205.0000 -68.63302 -64.16621 4.46682 2.58380 -63.55372 1143.00583
210.0000 -68.99736 -65.32931 3.66806 2.47681 -64.58663 1106.02547
215.0000 -67.47152 -63.96816 3.50336 2.45491 -64.79813 987.27944
220.0000 -67.64302 -63.90704 3.73598 2.54389 -63.93904 1120.28484
225.0000 -68.19087 -64.35001 3.84086 2.50559 -64.30879 1081.70840
230.0000 -68.23088 -64.18630 4.04458 2.52097 -64.16032 1095.07834
235.0000 -69.05767 -63.66629 5.39138 2.55030 -63.87708 1186.34747
240.0000 -68.02540 -63.46763 4.55778 2.55695 -63.81292 1081.04758
245.0000 -69.23681 -65.50057 3.73624 2.52545 -64.11705 1083.81604
250.0000 -68.04328 -64.50561 3.53767 2.45156 -64.83049 1049.40235
FREEZING PROCESS: loop number 2 T-loop= 1090.0000000000000
main_MD> interactions number 2 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61639 1.55004 4.39750
force_rgl> df(natom) 2.21611 1.39799 2.06570
255.0000 -69.24871 -64.88201 4.36670 2.46030 -64.74606 963.05439
260.0000 -68.30772 -64.94596 3.36176 2.44733 -64.87125 1029.99993
265.0000 -67.25983 -62.92731 4.33252 2.53884 -63.98777 1069.55617
270.0000 -67.75014 -62.66881 5.08133 2.65243 -62.89105 1204.07138
275.0000 -69.11157 -65.56830 3.54326 2.47780 -64.57713 1040.38735
280.0000 -67.21831 -64.28529 2.93301 2.46539 -64.69688 986.47556
285.0000 -68.49808 -64.63705 3.86103 2.52668 -64.10520 1126.75283
290.0000 -67.99622 -64.48499 3.51123 2.40477 -65.28215 943.08848
295.0000 -68.89876 -63.86897 5.02979 2.45502 -64.79706 989.55347
300.0000 -67.11133 -63.60783 3.50350 2.62456 -63.16011 1203.48562
305.0000 -67.37609 -63.87920 3.49689 2.48144 -64.54201 1073.19613
310.0000 -69.03390 -65.26730 3.76660 2.50946 -64.27143 1000.53300
315.0000 -68.69582 -65.22629 3.46952 2.39124 -65.41284 937.70018
320.0000 -68.74081 -64.75869 3.98212 2.47759 -64.57911 1015.95322
325.0000 -67.91581 -63.35593 4.55988 2.55599 -63.82220 1065.78785
330.0000 -69.13237 -63.99091 5.14146 2.52158 -64.15437 1096.55026
335.0000 -66.72743 -61.90078 4.82666 2.71673 -62.27029 1248.90669
340.0000 -67.34861 -61.67629 5.67232 2.69903 -62.44114 1218.90641
345.0000 -68.43836 -63.79499 4.64337 2.64605 -62.95266 1187.14294
350.0000 -68.69696 -64.75413 3.94283 2.54297 -63.94787 1146.06487
355.0000 -69.12751 -65.67859 3.44892 2.36875 -65.62994 935.38455
360.0000 -66.91578 -63.01127 3.90452 2.46742 -64.67732 1060.97729
365.0000 -66.77472 -62.01084 4.76388 2.69231 -62.50607 1189.90901
370.0000 -68.80979 -64.35019 4.45959 2.62631 -63.14325 1140.88274
375.0000 -69.04387 -64.02535 5.01852 2.50640 -64.30097 1059.10628
380.0000 -68.24107 -64.21395 4.02712 2.48025 -64.55343 1035.11053
385.0000 -67.46162 -62.76073 4.70089 2.57197 -63.66790 1146.88811
390.0000 -68.52340 -64.14026 4.38314 2.57021 -63.68490 1152.63871
395.0000 -68.66254 -64.61976 4.04278 2.56778 -63.70840 1149.90561
400.0000 -68.46426 -63.80567 4.65858 2.51836 -64.18548 1132.95939
405.0000 -68.35730 -64.71521 3.64209 2.54474 -63.93078 1075.57093
410.0000 -68.27014 -62.36330 5.90684 2.58089 -63.58178 1128.19462
415.0000 -67.61312 -62.13072 5.48240 2.67095 -62.71230 1224.38729
420.0000 -67.64451 -62.36209 5.28243 2.71216 -62.31443 1273.38343
425.0000 -68.83901 -65.06119 3.77782 2.46075 -64.74172 1041.23937
430.0000 -69.42365 -65.97133 3.45232 2.36616 -65.65495 947.59470
435.0000 -68.80045 -65.45204 3.34840 2.39279 -65.39789 958.45769
440.0000 -69.10771 -65.72000 3.38771 2.43603 -64.98044 1045.87052
445.0000 -68.11735 -64.01421 4.10314 2.51425 -64.22522 1042.57157
450.0000 -67.82776 -63.15162 4.67614 2.63919 -63.01886 1152.42203
455.0000 -68.14206 -62.83283 5.30924 2.66527 -62.76714 1155.65637
460.0000 -67.50714 -63.41330 4.09384 2.70474 -62.38601 1288.57012
465.0000 -68.42261 -64.44044 3.98218 2.54099 -63.96701 1065.28216
470.0000 -68.13964 -63.60365 4.53599 2.52812 -64.09127 1062.92863
475.0000 -68.69195 -65.09745 3.59450 2.51382 -64.22937 1087.39307
480.0000 -68.54875 -64.46524 4.08351 2.47113 -64.64146 1027.71296
485.0000 -68.95934 -63.73876 5.22059 2.47945 -64.56121 1037.43456
490.0000 -67.78099 -63.86541 3.91559 2.53100 -64.06347 1083.55725
495.0000 -67.53009 -63.57668 3.95341 2.67973 -62.62750 1282.64097
500.0000 -68.32773 -64.58296 3.74477 2.55036 -63.87653 1107.05797
FREEZING PROCESS: loop number 3 T-loop= 1065.0000000000000
main_MD> interactions number 3 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.07061 0.62290 -3.36754
force_rgl> df(natom) -5.99586 1.27060 8.01354
505.0000 -68.88557 -64.46041 4.42515 2.51120 -64.25461 1067.44983
510.0000 -68.00243 -64.27918 3.72326 2.47742 -64.58080 1024.45621
515.0000 -69.19194 -65.22408 3.96786 2.47116 -64.64118 1033.39733
520.0000 -68.96474 -65.62395 3.34080 2.34011 -65.90645 863.22737
525.0000 -69.21701 -65.25177 3.96524 2.42748 -65.06292 1042.15134
530.0000 -68.63396 -64.13447 4.49950 2.45792 -64.76905 998.85759
535.0000 -68.69403 -64.50660 4.18744 2.51305 -64.23675 1084.54110
540.0000 -69.36592 -66.13135 3.23457 2.44576 -64.88649 1014.07859
545.0000 -68.88619 -65.20104 3.68515 2.39248 -65.40090 961.19414
550.0000 -69.32501 -64.96138 4.36363 2.46954 -64.65683 1025.88562
555.0000 -68.93351 -64.93895 3.99456 2.45016 -64.84395 1001.99359
560.0000 -68.57698 -63.70321 4.87377 2.50396 -64.32455 1065.18797
565.0000 -69.48387 -64.36053 5.12334 2.57160 -63.67143 1164.06722
570.0000 -67.83716 -62.93229 4.90487 2.64598 -62.95330 1218.11091
575.0000 -68.98458 -65.20004 3.78454 2.55749 -63.80770 1093.00151
580.0000 -68.30407 -64.96927 3.33481 2.47511 -64.60307 1047.41280
585.0000 -68.11304 -63.42191 4.69113 2.59243 -63.47041 1158.18230
590.0000 -68.29414 -63.58925 4.70488 2.58865 -63.50681 1183.81419
595.0000 -68.76834 -63.86600 4.90234 2.64392 -62.97327 1187.64276
600.0000 -68.03116 -63.41268 4.61848 2.50408 -64.32337 1070.16879
605.0000 -68.37492 -64.86964 3.50529 2.52166 -64.15365 1061.38599
610.0000 -68.56773 -64.96456 3.60317 2.44880 -64.85708 995.80232
615.0000 -68.63624 -64.61258 4.02366 2.44514 -64.89244 997.10592
620.0000 -69.17402 -65.12790 4.04612 2.49723 -64.38949 1042.07899
625.0000 -69.15140 -65.49518 3.65622 2.37319 -65.58708 911.96457
630.0000 -68.13400 -65.29336 2.84064 2.36844 -65.63299 939.04103
635.0000 -68.38324 -64.93276 3.45048 2.38978 -65.42690 956.22049
640.0000 -68.69875 -63.64722 5.05153 2.52052 -64.16469 1105.42578
645.0000 -68.06482 -63.34844 4.71638 2.56682 -63.71766 1079.14485
650.0000 -69.45760 -64.28764 5.16996 2.53458 -64.02886 1074.75362
655.0000 -67.62272 -64.79215 2.83058 2.53671 -64.00838 1102.51805
660.0000 -70.03884 -66.54266 3.49617 2.37164 -65.60209 985.16083
665.0000 -68.69073 -65.82793 2.86279 2.26767 -66.60585 869.14900
670.0000 -68.37158 -64.51879 3.85279 2.53877 -63.98848 1072.75536
675.0000 -69.07008 -65.09128 3.97880 2.45597 -64.78789 1022.16479
680.0000 -66.58373 -62.10226 4.48147 2.60586 -63.34069 1119.70586
685.0000 -67.90628 -64.52537 3.38091 2.59599 -63.43600 1154.06588
690.0000 -68.09854 -63.37872 4.71982 2.56846 -63.70180 1074.09948
695.0000 -66.95036 -63.69103 3.25933 2.63398 -63.06919 1175.77676
700.0000 -68.03778 -64.45054 3.58723 2.50889 -64.27696 1028.94286
705.0000 -65.72320 -61.69470 4.02850 2.64448 -62.96779 1152.90182
710.0000 -66.21996 -61.60866 4.61130 2.78270 -61.63331 1287.16421
715.0000 -67.50126 -63.15020 4.35105 2.73531 -62.09091 1226.44824
720.0000 -66.46996 -63.05854 3.41142 2.58919 -63.50166 1128.57517
725.0000 -68.85772 -63.24729 5.61043 2.61258 -63.27578 1150.49024
730.0000 -68.24268 -63.98313 4.25955 2.58390 -63.55275 1118.86747
735.0000 -68.88021 -65.44369 3.43651 2.47000 -64.65242 1044.86749
740.0000 -70.15295 -65.04755 5.10540 2.44971 -64.84827 1034.86830
745.0000 -69.79555 -65.64834 4.14721 2.32037 -66.09706 894.88266
750.0000 -67.88308 -63.95492 3.92816 2.43152 -65.02396 950.61750
FREEZING PROCESS: loop number 4 T-loop= 1040.0000000000000
main_MD> interactions number 4 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58495 6.86870 -9.28812
force_rgl> df(natom) 2.64096 2.09443 -8.66025
755.0000 -68.84400 -63.88865 4.95535 2.56026 -63.78100 1106.70077
760.0000 -68.70848 -63.78804 4.92043 2.46441 -64.70641 1066.22949
765.0000 -67.65078 -64.15717 3.49362 2.56267 -63.75769 1076.22623
770.0000 -68.56225 -64.35748 4.20478 2.45236 -64.82276 1033.69230
775.0000 -68.56543 -64.57555 3.98988 2.43809 -64.96046 1014.48363
780.0000 -68.66327 -63.30164 5.36162 2.51112 -64.25541 1021.64447
785.0000 -67.97680 -62.84274 5.13405 2.54810 -63.89836 1107.11581
790.0000 -68.07881 -64.06546 4.01334 2.54934 -63.88639 1093.06413
795.0000 -68.48355 -65.32385 3.15970 2.42746 -65.06312 1002.16624
800.0000 -68.80386 -64.19456 4.60930 2.54906 -63.88909 1102.78049
805.0000 -67.90293 -63.79666 4.10628 2.47685 -64.58630 1089.95564
810.0000 -66.81784 -63.16244 3.65541 2.57207 -63.66692 1162.75551
815.0000 -67.91762 -65.15953 2.75809 2.53190 -64.05478 1081.42952
820.0000 -67.86804 -64.55681 3.31122 2.42173 -65.11842 973.07692
825.0000 -68.78160 -64.59178 4.18982 2.44681 -64.87628 995.56599
830.0000 -67.63961 -62.95764 4.68197 2.56130 -63.77090 1127.56746
835.0000 -67.18375 -63.28386 3.89989 2.56015 -63.78200 1127.79390
840.0000 -69.40361 -64.94556 4.45805 2.50394 -64.32476 1054.39890
845.0000 -71.35055 -67.13057 4.21997 2.34273 -65.88116 937.69754
850.0000 -69.45479 -65.45693 3.99786 2.33151 -65.98950 988.32000
855.0000 -69.16064 -64.92113 4.23952 2.46597 -64.69129 1068.03400
860.0000 -68.83095 -65.05755 3.77340 2.43199 -65.01941 1033.55746
865.0000 -69.31942 -65.25867 4.06074 2.37330 -65.58604 928.13605
870.0000 -69.32934 -64.82550 4.50384 2.41657 -65.16825 1001.59518
875.0000 -69.84816 -65.13111 4.71706 2.46437 -64.70678 1014.48511
880.0000 -69.54124 -65.96024 3.58100 2.37691 -65.55115 955.51687
885.0000 -69.06953 -66.37982 2.68972 2.27894 -66.49712 870.24605
890.0000 -69.89480 -66.51922 3.37558 2.29955 -66.29813 888.03156
895.0000 -68.68669 -64.80289 3.88380 2.34341 -65.87464 914.98446
900.0000 -70.64433 -67.04471 3.59962 2.35581 -65.75489 939.75144
905.0000 -69.21554 -66.18805 3.02749 2.24447 -66.82986 800.95910
910.0000 -69.16882 -64.62926 4.53956 2.40726 -65.25812 921.97666
915.0000 -68.19437 -63.61863 4.57575 2.51474 -64.22041 1062.35289
920.0000 -68.02797 -64.65033 3.37764 2.53239 -64.05001 1057.92759
925.0000 -68.27778 -65.07372 3.20406 2.45958 -64.75304 993.89687
930.0000 -67.64300 -64.22986 3.41315 2.48906 -64.46835 1013.69995
935.0000 -68.95851 -65.55185 3.40667 2.43785 -64.96280 1003.15957
940.0000 -69.38883 -66.05778 3.33105 2.30731 -66.22316 915.44050
945.0000 -69.03151 -66.17731 2.85420 2.29877 -66.30562 846.44027
950.0000 -69.34249 -65.90062 3.44186 2.35255 -65.78634 941.68305
955.0000 -68.56975 -64.28631 4.28344 2.41986 -65.13653 1049.16922
960.0000 -68.89206 -65.56595 3.32611 2.44216 -64.92124 1024.83910
965.0000 -68.70808 -64.54313 4.16495 2.41392 -65.19385 925.87720
970.0000 -67.74487 -64.28436 3.46051 2.51706 -64.19805 1058.86399
975.0000 -68.37587 -64.31254 4.06334 2.45067 -64.83909 1013.84831
980.0000 -68.80568 -63.77976 5.02593 2.48278 -64.52903 1080.91537
985.0000 -69.37275 -64.89845 4.47431 2.50744 -64.29097 1094.85528
990.0000 -69.18688 -65.05572 4.13116 2.42501 -65.08678 959.14169
995.0000 -69.43542 -65.61983 3.81559 2.43261 -65.01342 1015.97025
1000.0000 -69.71957 -66.04890 3.67068 2.28501 -66.43843 872.60182
FREEZING PROCESS: loop number 5 T-loop= 1015.0000000000000
main_MD> interactions number 5 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28939 1.40687 0.60974
force_rgl> df(natom) 2.36640 -0.67706 2.06617
1005.0000 -68.93435 -65.66351 3.27084 2.31202 -66.17768 903.03201
1010.0000 -69.42385 -65.42112 4.00273 2.35957 -65.71865 942.67945
1015.0000 -69.12833 -65.23655 3.89178 2.46135 -64.73597 1029.04494
1020.0000 -69.13999 -65.09288 4.04710 2.46040 -64.74511 1024.80766
1025.0000 -68.06943 -64.34545 3.72398 2.50419 -64.32231 1074.28708
1030.0000 -69.27566 -65.07885 4.19681 2.45594 -64.78811 995.87264
1035.0000 -68.60496 -65.11975 3.48521 2.40714 -65.25928 966.61345
1040.0000 -68.43582 -64.13118 4.30463 2.44359 -64.90735 1003.09639
1045.0000 -67.97048 -62.81401 5.15647 2.62169 -63.18789 1150.50442
1050.0000 -68.33976 -65.56780 2.77195 2.50072 -64.35579 1081.02555
1055.0000 -68.27613 -65.18893 3.08720 2.42077 -65.12767 983.03300
1060.0000 -69.00556 -64.12073 4.88483 2.47218 -64.63137 1035.25917
1065.0000 -69.08532 -65.59573 3.48960 2.44599 -64.88421 1019.49291
1070.0000 -69.51345 -64.70243 4.81102 2.41542 -65.17937 978.60943
1075.0000 -68.78747 -65.29182 3.49566 2.44643 -64.88002 994.97405
1080.0000 -68.35412 -63.84647 4.50765 2.42547 -65.08239 1001.93541
1085.0000 -68.39134 -64.26156 4.12978 2.54689 -63.91001 1070.38362
1090.0000 -68.16626 -64.71114 3.45512 2.47739 -64.58102 981.57962
1095.0000 -68.20707 -63.91979 4.28728 2.51281 -64.23908 1066.55457
1100.0000 -68.83114 -65.74081 3.09033 2.36476 -65.66848 924.37678
1105.0000 -69.25610 -64.52685 4.72926 2.44198 -64.92290 1001.90360
1110.0000 -69.45145 -66.15385 3.29761 2.42356 -65.10081 985.06305
1115.0000 -67.65006 -64.74969 2.90037 2.37776 -65.54298 981.88657
1120.0000 -69.32371 -64.39658 4.92714 2.49848 -64.37742 1071.13497
1125.0000 -69.24338 -64.97269 4.27069 2.52055 -64.16436 1128.22927
1130.0000 -68.07976 -64.18217 3.89759 2.46324 -64.71772 1072.53780
1135.0000 -68.85210 -64.52252 4.32958 2.45379 -64.80896 1004.84599
1140.0000 -68.38683 -64.04512 4.34172 2.45096 -64.83625 1028.76281
1145.0000 -68.52343 -63.94994 4.57350 2.53755 -64.00027 1125.18161
1150.0000 -69.16369 -64.50177 4.66193 2.56185 -63.76564 1131.89600
1155.0000 -69.32770 -65.46597 3.86173 2.39013 -65.42358 963.33400
1160.0000 -68.74394 -65.34316 3.40078 2.40658 -65.26473 980.56277
1165.0000 -68.26925 -64.25819 4.01106 2.48654 -64.49276 1061.59063
1170.0000 -68.67724 -64.72308 3.95416 2.47541 -64.60015 1048.39238
1175.0000 -68.27214 -64.13749 4.13464 2.51525 -64.21550 1102.02737
1180.0000 -69.00317 -64.52330 4.47986 2.50060 -64.35700 1042.18913
1185.0000 -69.14159 -66.22286 2.91873 2.40187 -65.31017 934.45881
1190.0000 -68.62697 -65.12776 3.49921 2.38569 -65.46640 940.51722
1195.0000 -67.84741 -64.21789 3.62952 2.53323 -64.04198 1099.15162
1200.0000 -67.71259 -63.77298 3.93961 2.53231 -64.05081 1072.42147
1205.0000 -69.41168 -65.78800 3.62368 2.47562 -64.59814 1046.79436
1210.0000 -67.52594 -63.96381 3.56213 2.51200 -64.24688 1059.14808
1215.0000 -67.99097 -63.28665 4.70432 2.54548 -63.92363 1051.79105
1220.0000 -67.88237 -64.59613 3.28623 2.51460 -64.22184 1022.29503
1225.0000 -69.24068 -63.85634 5.38434 2.43754 -64.96577 991.10469
1230.0000 -67.83605 -63.83662 3.99942 2.56494 -63.73576 1139.03832
1235.0000 -67.40631 -64.18265 3.22366 2.60221 -63.37594 1171.00395
1240.0000 -69.16651 -64.92389 4.24262 2.51859 -64.18325 1035.76802
1245.0000 -67.51700 -63.57131 3.94570 2.51483 -64.21961 1070.04373
1250.0000 -68.54512 -64.37902 4.16611 2.51834 -64.18568 1050.71506
FREEZING PROCESS: loop number 6 T-loop= 990.00000000000000
main_MD> interactions number 6 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36708 1.56392 -2.72131
force_rgl> df(natom) -0.22665 1.75141 -0.75888
1255.0000 -69.16773 -65.18041 3.98731 2.43888 -64.95287 956.16622
1260.0000 -69.00283 -64.48193 4.52090 2.50628 -64.30217 1111.61012
1265.0000 -68.66589 -64.30284 4.36306 2.46829 -64.66890 1031.00939
1270.0000 -68.87742 -64.61058 4.26684 2.55260 -63.85488 1061.69083
1275.0000 -68.03333 -64.22635 3.80698 2.49194 -64.44062 1056.99528
1280.0000 -68.75567 -65.10381 3.65186 2.46208 -64.72886 1070.69686
1285.0000 -69.06761 -65.60553 3.46208 2.36254 -65.68989 951.00384
1290.0000 -69.46442 -65.59984 3.86458 2.37699 -65.55045 942.64007
1295.0000 -69.13560 -66.36998 2.76561 2.40934 -65.23806 988.53278
1300.0000 -69.11475 -65.83155 3.28320 2.32402 -66.06180 894.58823
1305.0000 -70.01695 -64.91505 5.10190 2.32454 -66.05685 861.76265
1310.0000 -67.36372 -63.18887 4.17486 2.52575 -64.11418 1032.61256
1315.0000 -66.35643 -62.22490 4.13154 2.68898 -62.53821 1145.53774
1320.0000 -69.40020 -64.64981 4.75039 2.61103 -63.29076 1143.37250
1325.0000 -68.42022 -63.93092 4.48930 2.53067 -64.06668 1053.68126
1330.0000 -68.67818 -64.77599 3.90219 2.52838 -64.08879 1058.96264
1335.0000 -69.41466 -66.27427 3.14039 2.31618 -66.13751 871.33271
1340.0000 -69.58053 -66.16340 3.41713 2.34629 -65.84686 896.09536
1345.0000 -68.82953 -63.97038 4.85915 2.44319 -64.91122 1020.52048
1350.0000 -68.64558 -63.82551 4.82007 2.50861 -64.27965 1064.18998
1355.0000 -69.14789 -65.11204 4.03584 2.47205 -64.63258 1052.23064
1360.0000 -68.41709 -65.15611 3.26099 2.44517 -64.89214 974.31813
1365.0000 -68.09323 -63.43998 4.65325 2.47164 -64.63656 1056.34670
1370.0000 -68.38522 -64.65300 3.73222 2.50950 -64.27100 1068.22636
1375.0000 -68.22833 -63.85612 4.37220 2.51710 -64.19771 1065.23573
1380.0000 -69.82328 -65.74019 4.08309 2.43245 -65.01495 1019.87393
1385.0000 -69.14201 -65.29320 3.84881 2.37946 -65.52658 952.08039
1390.0000 -70.12771 -66.68690 3.44081 2.28019 -66.48505 875.50026
1395.0000 -70.01051 -66.71331 3.29720 2.26628 -66.61933 834.10742
1400.0000 -69.83021 -66.30409 3.52612 2.32940 -66.00984 853.33349
1405.0000 -67.32495 -63.82893 3.49601 2.42393 -65.09721 978.08702
1410.0000 -68.15315 -63.98752 4.16563 2.56770 -63.70917 1045.54210
1415.0000 -68.60160 -64.22017 4.38143 2.53769 -63.99888 1039.03668
1420.0000 -68.60041 -65.02440 3.57601 2.42519 -65.08501 952.99893
1425.0000 -70.87533 -66.87471 4.00062 2.24746 -66.80099 820.02623
1430.0000 -69.23296 -65.58598 3.64698 2.30489 -66.24651 905.36700
1435.0000 -69.36785 -65.22612 4.14173 2.43215 -65.01781 1007.86248
1440.0000 -69.74428 -65.69426 4.05002 2.35971 -65.71721 929.04592
1445.0000 -68.89832 -65.91576 2.98256 2.32390 -66.06299 914.56922
1450.0000 -69.03274 -64.94909 4.08366 2.35922 -65.72198 956.33989
1455.0000 -68.33919 -64.37983 3.95935 2.44549 -64.88908 1039.87310
1460.0000 -69.69652 -64.60074 5.09578 2.43370 -65.00293 1003.22982
1465.0000 -69.49872 -65.12770 4.37101 2.45935 -64.75525 1046.12255
1470.0000 -70.56147 -66.74676 3.81471 2.33387 -65.96676 935.62485
1475.0000 -69.09710 -65.55790 3.53920 2.34884 -65.82221 960.86848
1480.0000 -70.16471 -66.00378 4.16093 2.36606 -65.65599 919.64245
1485.0000 -69.94909 -65.45659 4.49250 2.33108 -65.99365 904.12677
1490.0000 -69.00294 -65.37397 3.62897 2.40400 -65.28964 971.83574
1495.0000 -67.83829 -64.56994 3.26835 2.44491 -64.89466 968.63391
1500.0000 -68.37618 -64.17209 4.20409 2.45126 -64.83333 971.56568
FREEZING PROCESS: loop number 7 T-loop= 965.00000000000000
main_MD> interactions number 7 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.26256 -1.32216 1.52135
force_rgl> df(natom) 0.78821 -2.21361 0.69593
1505.0000 -68.43157 -64.53583 3.89574 2.47477 -64.60639 1015.15606
1510.0000 -69.94185 -64.85860 5.08325 2.48435 -64.51384 997.92460
1515.0000 -68.19818 -64.25874 3.93944 2.42221 -65.11381 1030.84766
1520.0000 -69.24839 -65.54250 3.70589 2.40248 -65.30435 995.07940
1525.0000 -69.69412 -65.96628 3.72784 2.38697 -65.45404 948.65072
1530.0000 -70.07426 -66.50740 3.56687 2.27367 -66.54792 902.67086
1535.0000 -69.87152 -66.60479 3.26673 2.31602 -66.13911 940.80889
1540.0000 -69.37610 -65.61211 3.76398 2.31981 -66.10250 875.72999
1545.0000 -68.54203 -64.66167 3.88036 2.46196 -64.72999 1072.03117
1550.0000 -69.37375 -65.44757 3.92618 2.41870 -65.14773 1007.88446
1555.0000 -68.90915 -64.01445 4.89470 2.49756 -64.38630 1045.21433
1560.0000 -69.78961 -66.01046 3.77914 2.40726 -65.25815 935.40908
1565.0000 -69.88370 -66.11029 3.77341 2.28877 -66.40215 871.26498
1570.0000 -69.76382 -65.45174 4.31209 2.39774 -65.35003 962.84176
1575.0000 -68.49699 -65.07907 3.41792 2.43166 -65.02254 964.77438
1580.0000 -68.36062 -64.69024 3.67038 2.46156 -64.73395 1026.87220
1585.0000 -69.04842 -64.72141 4.32701 2.43088 -65.03007 976.30870
1590.0000 -68.53131 -64.37268 4.15864 2.47429 -64.61101 1085.26354
1595.0000 -68.92106 -65.59733 3.32373 2.37650 -65.55514 930.80421
1600.0000 -69.58361 -66.64244 2.94117 2.33215 -65.98330 897.94904
1605.0000 -70.00812 -65.23224 4.77588 2.34161 -65.89201 875.42940
1610.0000 -69.07526 -65.16669 3.90857 2.43047 -65.03410 1031.30084
1615.0000 -69.01063 -65.00465 4.00598 2.40273 -65.30191 917.83540
1620.0000 -68.22376 -65.02180 3.20196 2.38951 -65.42952 975.40389
1625.0000 -69.53725 -65.94262 3.59463 2.39310 -65.39489 996.65336
1630.0000 -69.32024 -65.99914 3.32110 2.35692 -65.74417 889.65419
1635.0000 -69.01617 -65.54944 3.46673 2.34995 -65.81148 910.93299
1640.0000 -68.63297 -65.45689 3.17608 2.36399 -65.67595 913.86386
1645.0000 -69.27833 -65.14232 4.13601 2.50496 -64.31489 1047.40631
1650.0000 -69.88876 -65.91166 3.97709 2.36575 -65.65892 948.92624
1655.0000 -70.30737 -66.44728 3.86009 2.28351 -66.45292 858.45530
1660.0000 -68.55142 -65.56532 2.98610 2.35410 -65.77137 998.32964
1665.0000 -68.94504 -63.77522 5.16982 2.44670 -64.87732 1012.40354
1670.0000 -68.88135 -65.26774 3.61362 2.48942 -64.46495 1075.58315
1675.0000 -68.79002 -65.23512 3.55490 2.45815 -64.76685 1008.26066
1680.0000 -68.35119 -65.00703 3.34416 2.45537 -64.79367 1029.15772
1685.0000 -68.71988 -64.11197 4.60791 2.48185 -64.53802 1013.36893
1690.0000 -68.93960 -65.24570 3.69390 2.47778 -64.57727 1035.44548
1695.0000 -69.34330 -65.41066 3.93264 2.40242 -65.30492 933.07195
1700.0000 -68.24896 -64.13255 4.11641 2.44173 -64.92540 1011.84987
1705.0000 -68.00739 -64.10852 3.89888 2.56405 -63.74437 1118.57623
1710.0000 -68.78252 -65.61300 3.16952 2.46951 -64.65719 992.08399
1715.0000 -68.89625 -64.34651 4.54974 2.39979 -65.33029 1029.02465
1720.0000 -69.17253 -65.10991 4.06262 2.46784 -64.67329 1117.14234
1725.0000 -69.08583 -65.29425 3.79157 2.42727 -65.06500 998.07663
1730.0000 -69.48885 -64.88182 4.60703 2.42524 -65.08455 995.64002
1735.0000 -68.39211 -64.89645 3.49566 2.49465 -64.41441 1032.70928
1740.0000 -67.94256 -64.64158 3.30098 2.51422 -64.22550 1016.68792
1745.0000 -69.17885 -65.26719 3.91167 2.43155 -65.02361 928.96952
1750.0000 -70.15091 -66.04796 4.10295 2.29495 -66.34250 893.59988
FREEZING PROCESS: loop number 8 T-loop= 940.00000000000000
main_MD> interactions number 8 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65094 1.15093 -2.24208
force_rgl> df(natom) -2.33604 -1.33056 4.58124
1755.0000 -69.97447 -66.22426 3.75021 2.31826 -66.11740 948.76609
1760.0000 -68.81396 -65.10474 3.70922 2.36085 -65.70621 957.40001
1765.0000 -69.67482 -64.37346 5.30135 2.47175 -64.63547 1049.43147
1770.0000 -69.16798 -64.67496 4.49301 2.49795 -64.38255 1056.08236
1775.0000 -68.34500 -64.07286 4.27215 2.49353 -64.42518 1042.43958
1780.0000 -68.39361 -62.99686 5.39674 2.55259 -63.85502 1095.55817
1785.0000 -69.16673 -65.34842 3.81831 2.46844 -64.66746 1019.74392
1790.0000 -70.24283 -66.31050 3.93232 2.38368 -65.48583 995.41519
1795.0000 -70.30401 -66.46508 3.83893 2.30482 -66.24726 934.29034
1800.0000 -69.93587 -66.98419 2.95167 2.22353 -67.03209 844.27837
1805.0000 -70.24476 -66.73723 3.50753 2.19481 -67.30934 788.68561
1810.0000 -69.87799 -66.49884 3.37915 2.28507 -66.43793 875.13982
1815.0000 -68.92361 -63.97391 4.94970 2.43057 -65.03310 1002.12194
1820.0000 -68.08610 -64.56181 3.52429 2.43756 -64.96558 967.57362
1825.0000 -69.16013 -65.39518 3.76495 2.39859 -65.34185 940.93182
1830.0000 -69.14802 -65.12509 4.02293 2.39910 -65.33691 937.30655
1835.0000 -68.74146 -64.49948 4.24198 2.36531 -65.66320 956.92769
1840.0000 -70.16421 -65.12218 5.04203 2.47815 -64.57370 1074.92679
1845.0000 -68.46326 -64.46901 3.99425 2.46091 -64.74018 1000.88117
1850.0000 -68.63057 -65.48418 3.14639 2.44027 -64.93944 980.27496
1855.0000 -69.52055 -66.27402 3.24653 2.30525 -66.24310 867.70619
1860.0000 -69.41797 -66.30211 3.11587 2.29643 -66.32817 901.21667
1865.0000 -68.70751 -65.38579 3.32171 2.39926 -65.33536 965.71143
1870.0000 -68.06564 -64.21008 3.85556 2.43637 -64.97707 996.34753
1875.0000 -68.19459 -63.94922 4.24538 2.49129 -64.44691 1090.52129
1880.0000 -69.14691 -65.47425 3.67267 2.50694 -64.29579 1089.63684
1885.0000 -68.37817 -64.81359 3.56458 2.44641 -64.88014 987.12193
1890.0000 -68.40340 -64.67124 3.73216 2.46349 -64.71531 1079.06564
1895.0000 -69.18947 -65.72157 3.46790 2.40521 -65.27792 943.55167
1900.0000 -70.05953 -66.91018 3.14936 2.34569 -65.85257 927.33715
1905.0000 -70.34103 -67.25417 3.08687 2.21036 -67.15925 786.06227
1910.0000 -70.11573 -67.21982 2.89591 2.20772 -67.18467 789.58360
1915.0000 -69.72033 -66.30091 3.41942 2.28485 -66.43998 872.89204
1920.0000 -69.55026 -65.81897 3.73129 2.28613 -66.42766 922.83512
1925.0000 -68.90067 -65.19847 3.70221 2.32109 -66.09015 937.02845
1930.0000 -69.36754 -66.59356 2.77398 2.33281 -65.97699 890.36360
1935.0000 -68.73105 -65.30453 3.42652 2.36196 -65.69549 923.37559
1940.0000 -69.50238 -65.13396 4.36841 2.43877 -64.95394 1053.85082
1945.0000 -68.13103 -64.15267 3.97836 2.42921 -65.04622 1013.43551
1950.0000 -68.56171 -64.10507 4.45664 2.47731 -64.58185 1086.30000
1955.0000 -69.39596 -64.65557 4.74039 2.50577 -64.30710 1050.35589
1960.0000 -67.94310 -64.13464 3.80846 2.46950 -64.65726 1025.05456
1965.0000 -69.02336 -65.76291 3.26045 2.47928 -64.56279 1014.55490
1970.0000 -70.21693 -66.23286 3.98408 2.37585 -65.56143 973.26590
1975.0000 -69.00786 -65.92081 3.08705 2.32173 -66.08391 900.04089
1980.0000 -69.72999 -66.96232 2.76767 2.31576 -66.14156 898.46881
1985.0000 -70.66630 -66.67691 3.98938 2.23633 -66.90844 825.06530
1990.0000 -69.02595 -65.05772 3.96823 2.35813 -65.73252 942.54968
1995.0000 -69.20314 -65.02540 4.17774 2.48017 -64.55422 1017.88656
2000.0000 -69.68478 -65.60775 4.07703 2.37083 -65.60989 897.18438
FREEZING PROCESS: loop number 9 T-loop= 915.00000000000000
main_MD> interactions number 9 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67336 2.80033 -0.46062
force_rgl> df(natom) -0.63506 1.00667 -3.48000
2005.0000 -70.18371 -67.29040 2.89330 2.28122 -66.47504 880.46484
2010.0000 -67.89335 -64.68486 3.20850 2.32527 -66.04976 890.44659
2015.0000 -68.81454 -65.24356 3.57098 2.42591 -65.07806 960.84820
2020.0000 -69.41678 -65.61210 3.80468 2.39831 -65.34457 956.01104
2025.0000 -69.63432 -66.05709 3.57723 2.27767 -66.50934 855.13703
2030.0000 -69.92583 -66.08034 3.84549 2.30626 -66.23328 892.53977
2035.0000 -69.21960 -65.82399 3.39561 2.29890 -66.30436 886.96445
2040.0000 -68.80412 -65.11140 3.69272 2.40154 -65.31336 1014.36614
2045.0000 -69.57238 -65.28689 4.28549 2.32029 -66.09780 910.29081
2050.0000 -68.08392 -64.21800 3.86591 2.46526 -64.69818 1021.33668
2055.0000 -69.72556 -64.89694 4.82862 2.50638 -64.30112 1058.19537
2060.0000 -69.61990 -65.15539 4.46451 2.41836 -65.15099 1020.53917
2065.0000 -69.66209 -67.05189 2.61021 2.28855 -66.40426 852.89532
2070.0000 -70.37295 -66.56863 3.80432 2.23151 -66.95498 830.30230
2075.0000 -69.69448 -66.36662 3.32786 2.27894 -66.49705 844.00622
2080.0000 -69.59215 -66.29286 3.29929 2.25012 -66.77536 844.22492
2085.0000 -68.94402 -65.34744 3.59658 2.38920 -65.43253 966.52432
2090.0000 -70.55518 -66.81583 3.73935 2.32599 -66.04278 931.11836
2095.0000 -70.78183 -66.83404 3.94778 2.19857 -67.27308 801.13120
2100.0000 -70.65855 -66.72826 3.93029 2.22280 -67.03907 790.51494
2105.0000 -69.76340 -66.43879 3.32461 2.25971 -66.68274 903.93829
2110.0000 -69.22410 -66.37893 2.84517 2.26675 -66.61478 843.15665
2115.0000 -69.14759 -66.39735 2.75024 2.24049 -66.86835 770.20333
2120.0000 -69.75558 -66.49432 3.26126 2.27706 -66.51519 825.16200
2125.0000 -70.78607 -68.00291 2.78316 2.23113 -66.95864 830.32966
2130.0000 -69.23509 -66.34943 2.88566 2.26095 -66.67081 815.89156
2135.0000 -69.68147 -65.72189 3.95958 2.36978 -65.62003 930.33940
2140.0000 -69.92362 -66.07028 3.85333 2.37149 -65.60349 945.98609
2145.0000 -68.93439 -65.33239 3.60200 2.31722 -66.12746 849.24278
2150.0000 -70.01519 -66.64798 3.36721 2.32900 -66.01375 915.64211
2155.0000 -70.34886 -66.93294 3.41592 2.28298 -66.45805 889.60946
2160.0000 -70.24695 -66.73816 3.50879 2.18532 -67.40098 770.45887
2165.0000 -69.84961 -66.43605 3.41356 2.28242 -66.46346 875.83926
2170.0000 -69.94997 -66.82499 3.12498 2.30427 -66.25257 875.22505
2175.0000 -69.28581 -66.40262 2.88319 2.26095 -66.67075 846.44979
2180.0000 -69.99619 -66.27253 3.72366 2.25460 -66.73207 818.66054
2185.0000 -69.68131 -66.14214 3.53917 2.27997 -66.48710 883.41217
2190.0000 -70.38283 -66.73492 3.64791 2.20791 -67.18285 800.87141
2195.0000 -70.41072 -66.86393 3.54679 2.23862 -66.88638 858.87355
2200.0000 -70.33807 -66.52259 3.81548 2.23659 -66.90595 823.73418
2205.0000 -69.66351 -65.87455 3.78896 2.27386 -66.54615 856.72355
2210.0000 -69.49392 -64.63157 4.86235 2.37686 -65.55170 968.86647
2215.0000 -68.40638 -65.30241 3.10397 2.39648 -65.36226 965.16388
2220.0000 -69.17533 -64.92556 4.24977 2.42896 -65.04868 973.62145
2225.0000 -68.27405 -64.55191 3.72214 2.45224 -64.82385 993.46470
2230.0000 -67.51858 -64.18170 3.33688 2.43413 -64.99872 1023.40381
2235.0000 -68.76220 -63.16591 5.59629 2.59041 -63.48989 1141.28694
2240.0000 -68.12855 -64.71523 3.41332 2.56654 -63.72033 1160.36755
2245.0000 -69.36278 -65.67575 3.68702 2.41546 -65.17895 958.61987
2250.0000 -69.55613 -64.81962 4.73651 2.40222 -65.30680 950.51710
FREEZING PROCESS: loop number 10 T-loop= 890.00000000000000
main_MD> interactions number 10 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52455 0.72577 -2.43429
force_rgl> df(natom) 0.43728 -1.42563 -0.12080
2255.0000 -68.91817 -64.65504 4.26312 2.50474 -64.31705 1055.07322
2260.0000 -68.90289 -65.07555 3.82734 2.49735 -64.38838 1084.21229
2265.0000 -68.20977 -65.49957 2.71020 2.37780 -65.54257 950.18456
2270.0000 -69.05855 -65.29027 3.76828 2.45125 -64.83340 1044.88389
2275.0000 -68.60846 -64.99357 3.61489 2.37185 -65.60005 898.21466
2280.0000 -67.69718 -63.65525 4.04193 2.46495 -64.70113 1010.72948
2285.0000 -70.24389 -64.86226 5.38163 2.51518 -64.21624 1066.16725
2290.0000 -69.28301 -65.63189 3.65112 2.37392 -65.58001 921.23104
2295.0000 -69.68247 -66.10760 3.57486 2.36214 -65.69380 954.24063
2300.0000 -69.62012 -67.07799 2.54213 2.24936 -66.78263 821.53525
2305.0000 -68.43618 -65.41518 3.02100 2.24368 -66.83753 819.03110
2310.0000 -69.37422 -66.09980 3.27443 2.38886 -65.43577 964.98958
2315.0000 -68.48687 -65.20986 3.27701 2.37349 -65.58425 951.42023
2320.0000 -69.92381 -65.47404 4.44978 2.41851 -65.14958 971.78022
2325.0000 -69.14284 -66.05545 3.08738 2.36866 -65.63080 941.91707
2330.0000 -69.53636 -65.99623 3.54012 2.31657 -66.13377 881.59994
2335.0000 -69.37205 -65.90779 3.46426 2.31215 -66.17639 871.30168
2340.0000 -68.70275 -64.72220 3.98055 2.42438 -65.09288 1001.55268
2345.0000 -69.13712 -65.80293 3.33419 2.40795 -65.25149 992.73207
2350.0000 -70.09261 -65.43244 4.66017 2.31818 -66.11826 929.16924
2355.0000 -69.67831 -65.49197 4.18634 2.30785 -66.21800 876.25512
2360.0000 -69.73173 -66.88346 2.84827 2.37003 -65.61757 944.21813
2365.0000 -69.83409 -66.48522 3.34887 2.23137 -66.95638 836.18257
2370.0000 -69.45136 -65.73137 3.71999 2.36849 -65.63247 1025.22913
2375.0000 -69.90409 -66.71033 3.19376 2.32349 -66.06698 899.67876
2380.0000 -69.07149 -66.02981 3.04168 2.24302 -66.84385 868.16430
2385.0000 -70.17240 -66.65774 3.51466 2.28683 -66.42092 893.12616
2390.0000 -68.53721 -65.05094 3.48627 2.39305 -65.39540 997.54635
2395.0000 -69.39409 -65.14264 4.25145 2.39544 -65.37224 952.16578
2400.0000 -69.46775 -65.54101 3.92675 2.36793 -65.63785 934.97573
2405.0000 -69.68782 -66.04559 3.64222 2.28785 -66.41102 876.80636
2410.0000 -69.74844 -66.09009 3.65835 2.36970 -65.62079 925.27535
2415.0000 -69.36998 -65.85783 3.51215 2.30991 -66.19805 867.14063
2420.0000 -69.92634 -66.37006 3.55628 2.34630 -65.84669 938.66575
2425.0000 -70.95424 -67.45334 3.50090 2.29826 -66.31059 940.24259
2430.0000 -71.09746 -68.09328 3.00418 2.12644 -67.96949 736.19395
2435.0000 -70.35325 -66.95328 3.39998 2.21750 -67.09029 829.20964
2440.0000 -68.95929 -66.24927 2.71002 2.27684 -66.51733 851.35944
2445.0000 -69.91018 -66.00854 3.90164 2.26344 -66.64677 831.73988
2450.0000 -69.30349 -65.81861 3.48489 2.31277 -66.17050 852.92083
2455.0000 -70.50312 -66.92778 3.57534 2.28668 -66.42236 912.41895
2460.0000 -69.56486 -65.76489 3.79997 2.30778 -66.21868 901.75274
2465.0000 -69.72882 -64.93020 4.79862 2.39625 -65.36445 983.90163
2470.0000 -68.48861 -64.65535 3.83326 2.44238 -64.91908 985.73717
2475.0000 -69.56612 -65.38191 4.18421 2.40448 -65.28500 923.64387
2480.0000 -70.11297 -66.73564 3.37732 2.34195 -65.88872 840.29484
2485.0000 -69.24732 -66.13221 3.11511 2.32333 -66.06851 899.27740
2490.0000 -68.89450 -64.47327 4.42124 2.36844 -65.63295 890.49814
2495.0000 -69.29532 -65.44998 3.84533 2.41723 -65.16193 995.99529
2500.0000 -69.26372 -64.52881 4.73491 2.45793 -64.76893 1057.13722
FREEZING PROCESS: loop number 11 T-loop= 865.00000000000000
main_MD> interactions number 11 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35317 1.75244 -0.52742
force_rgl> df(natom) -0.32793 1.12033 2.23054
2505.0000 -68.43514 -65.24814 3.18700 2.47463 -64.60770 1100.31480
2510.0000 -69.59157 -66.53678 3.05479 2.35590 -65.75401 901.65968
2515.0000 -69.42361 -65.81912 3.60449 2.33452 -65.96047 858.90151
2520.0000 -69.31936 -65.92658 3.39278 2.28201 -66.46748 875.05908
2525.0000 -69.32757 -65.49251 3.83505 2.40605 -65.26987 987.68425
2530.0000 -70.03268 -65.73004 4.30264 2.36280 -65.68741 909.23807
2535.0000 -69.76867 -66.01284 3.75583 2.41164 -65.21592 991.14408
2540.0000 -69.99665 -66.53207 3.46459 2.26022 -66.67781 776.55021
2545.0000 -69.61088 -66.70100 2.90988 2.24981 -66.77834 780.26938
2550.0000 -69.49762 -65.74867 3.74894 2.26583 -66.62365 822.87204
2555.0000 -69.60535 -66.10166 3.50369 2.29864 -66.30692 873.44629
2560.0000 -69.91518 -66.69524 3.21994 2.23463 -66.92493 801.04448
2565.0000 -70.37927 -67.08384 3.29543 2.26638 -66.61831 858.42515
2570.0000 -69.77163 -66.21883 3.55280 2.25119 -66.76497 843.47089
2575.0000 -70.09638 -67.10575 2.99063 2.30116 -66.28256 863.50617
2580.0000 -68.18860 -65.67007 2.51853 2.29762 -66.31670 864.38637
2585.0000 -70.19450 -64.70986 5.48465 2.39632 -65.36377 969.29077
2590.0000 -69.77357 -66.27284 3.50073 2.42824 -65.05563 977.68297
2595.0000 -69.11491 -64.84287 4.27204 2.39331 -65.39281 968.28808
2600.0000 -69.50513 -66.42765 3.07749 2.37782 -65.54241 974.06648
2605.0000 -70.58928 -67.42768 3.16160 2.21483 -67.11605 828.39472
2610.0000 -69.55800 -65.06892 4.48908 2.27268 -66.55749 874.91414
2615.0000 -69.90265 -66.72091 3.18174 2.37441 -65.57536 961.92745
2620.0000 -70.13144 -67.44217 2.68927 2.20299 -67.23033 814.99059
2625.0000 -70.70489 -67.28458 3.42031 2.16443 -67.60266 753.05542
2630.0000 -71.07258 -67.92774 3.14484 2.15875 -67.65748 760.82910
2635.0000 -70.19401 -66.66019 3.53381 2.19009 -67.35488 793.35360
2640.0000 -69.25762 -65.99526 3.26235 2.31504 -66.14849 931.47626
2645.0000 -70.53366 -66.89022 3.64345 2.35621 -65.75103 922.64813
2650.0000 -70.02493 -66.41760 3.60733 2.25990 -66.68092 880.50442
2655.0000 -70.45529 -67.43206 3.02322 2.27517 -66.53351 866.43167
2660.0000 -69.48725 -67.02110 2.46615 2.17139 -67.53541 754.36408
2665.0000 -70.39947 -67.27585 3.12362 2.18367 -67.41694 776.57534
2670.0000 -70.89805 -67.70844 3.18960 2.25000 -66.77651 845.66851
2675.0000 -70.15483 -67.02783 3.12700 2.18941 -67.36153 777.77407
2680.0000 -70.34543 -67.80723 2.53821 2.20580 -67.20325 826.37633
2685.0000 -69.72626 -66.63354 3.09272 2.19840 -67.27470 808.33875
2690.0000 -70.83258 -66.46020 4.37238 2.30154 -66.27883 897.11856
2695.0000 -69.86650 -66.86651 2.99999 2.29359 -66.35562 853.52803
2700.0000 -71.00335 -67.47296 3.53039 2.19989 -67.26033 783.84625
2705.0000 -70.12697 -67.39618 2.73078 2.12728 -67.96130 737.06945
2710.0000 -71.15375 -68.91654 2.23721 2.12523 -67.98111 729.53083
2715.0000 -70.74490 -68.19490 2.55000 2.10240 -68.20153 677.86639
2720.0000 -70.53501 -67.58704 2.94796 2.16367 -67.61001 768.45024
2725.0000 -70.80073 -67.43705 3.36368 2.19738 -67.28451 804.76105
2730.0000 -69.64875 -66.42711 3.22163 2.23868 -66.88575 880.12590
2735.0000 -70.02614 -67.29879 2.72735 2.24691 -66.80630 876.31741
2740.0000 -69.31486 -66.09159 3.22327 2.23080 -66.96185 819.13887
2745.0000 -69.29483 -66.13739 3.15744 2.31460 -66.15281 877.12267
2750.0000 -69.41518 -66.18578 3.22940 2.36190 -65.69610 954.78939
FREEZING PROCESS: loop number 12 T-loop= 840.00000000000000
main_MD> interactions number 12 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.51133 0.99670 -7.81475
force_rgl> df(natom) 1.32230 -4.74643 1.70798
2755.0000 -70.20057 -66.02997 4.17061 2.29667 -66.32590 910.36431
2760.0000 -68.78147 -65.40998 3.37149 2.33107 -65.99381 887.20148
2765.0000 -69.46447 -65.26986 4.19461 2.36898 -65.62776 935.76487
2770.0000 -69.48446 -66.40122 3.08324 2.36192 -65.69589 932.30235
2775.0000 -70.29483 -66.54967 3.74516 2.28659 -66.42325 865.93342
2780.0000 -68.05714 -65.34849 2.70865 2.36168 -65.69824 880.36698
2785.0000 -69.89272 -66.04033 3.85239 2.34218 -65.88651 885.74800
2790.0000 -68.89255 -66.19247 2.70008 2.32838 -66.01975 876.42439
2795.0000 -69.60927 -65.27362 4.33565 2.29268 -66.36443 872.27564
2800.0000 -70.33597 -67.23910 3.09688 2.33288 -65.97626 895.11774
2805.0000 -70.82470 -67.38689 3.43781 2.20790 -67.18298 773.06171
2810.0000 -70.63388 -68.35761 2.27627 2.17342 -67.51583 758.99488
2815.0000 -70.49515 -67.12747 3.36768 2.17723 -67.47912 800.03283
2820.0000 -70.85577 -67.73478 3.12099 2.18739 -67.38102 785.38993
2825.0000 -69.37492 -65.80939 3.56554 2.25966 -66.68324 870.28266
2830.0000 -70.29268 -66.43120 3.86149 2.29802 -66.31288 895.15833
2835.0000 -69.70995 -66.84596 2.86398 2.26855 -66.59738 814.80252
2840.0000 -70.72251 -68.00149 2.72102 2.15189 -67.72373 747.40164
2845.0000 -70.07564 -67.36222 2.71343 2.13105 -67.92494 712.08560
2850.0000 -70.01821 -67.40756 2.61065 2.17158 -67.53363 733.02558
2855.0000 -70.48141 -67.33006 3.15135 2.22655 -67.00290 831.48565
2860.0000 -69.89684 -67.22301 2.67383 2.19272 -67.32956 814.47882
2865.0000 -69.82628 -67.26668 2.55960 2.17944 -67.45774 760.64533
2870.0000 -69.77399 -66.54589 3.22810 2.22303 -67.03690 791.02216
2875.0000 -70.23469 -66.75373 3.48096 2.26537 -66.62806 855.12692
2880.0000 -70.37201 -67.26630 3.10571 2.25010 -66.77549 846.95291
2885.0000 -69.94628 -66.91179 3.03449 2.20901 -67.17228 802.36179
2890.0000 -68.20358 -64.81445 3.38913 2.35186 -65.79303 918.79123
2895.0000 -69.37968 -65.06706 4.31262 2.38094 -65.51227 938.10795
2900.0000 -69.37803 -66.08858 3.28946 2.39012 -65.42368 996.78878
2905.0000 -69.44837 -65.04314 4.40523 2.35564 -65.75654 932.44753
2910.0000 -69.87740 -66.97438 2.90302 2.31060 -66.19141 903.14171
2915.0000 -70.63023 -67.24301 3.38722 2.22507 -67.01721 799.26593
2920.0000 -70.77593 -68.06134 2.71458 2.16186 -67.62745 747.18996
2925.0000 -70.85495 -67.57438 3.28057 2.13161 -67.91950 729.83026
2930.0000 -70.43519 -67.29374 3.14145 2.15799 -67.66485 723.26694
2935.0000 -69.28152 -65.59744 3.68408 2.25612 -66.71743 846.05084
2940.0000 -69.75432 -66.27868 3.47565 2.34352 -65.87352 853.60035
2945.0000 -70.68433 -67.52662 3.15771 2.21743 -67.09097 795.03112
2950.0000 -69.05557 -65.37413 3.68144 2.25995 -66.68038 810.71568
2955.0000 -68.40931 -64.49345 3.91586 2.45960 -64.75286 997.39049
2960.0000 -69.48434 -66.01774 3.46660 2.38692 -65.45456 970.81142
2965.0000 -69.73900 -66.13344 3.60556 2.28466 -66.44189 888.91248
2970.0000 -70.09347 -66.22296 3.87051 2.26301 -66.65093 831.40575
2975.0000 -69.39464 -66.23976 3.15488 2.33997 -65.90781 905.02998
2980.0000 -68.99956 -66.32669 2.67286 2.34114 -65.89656 907.57780
2985.0000 -69.61743 -66.26108 3.35636 2.32236 -66.07784 874.14074
2990.0000 -69.17375 -65.37267 3.80108 2.32257 -66.07585 860.54131
2995.0000 -68.61187 -64.33071 4.28116 2.44367 -64.90666 969.25262
3000.0000 -70.12502 -65.83299 4.29204 2.42914 -65.04694 955.75960
FREEZING PROCESS: loop number 13 T-loop= 815.00000000000000
main_MD> interactions number 13 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.67776 1.04231 -1.94199
force_rgl> df(natom) -0.16589 -0.79920 3.56665
3005.0000 -69.99189 -65.79873 4.19316 2.38676 -65.45610 911.11587
3010.0000 -69.75208 -66.37661 3.37547 2.32735 -66.02966 930.52424
3015.0000 -69.02245 -65.06446 3.95798 2.32272 -66.07436 892.38358
3020.0000 -69.56928 -65.57089 3.99838 2.38520 -65.47117 946.22936
3025.0000 -70.39434 -67.91340 2.48094 2.22042 -67.06207 769.91907
3030.0000 -70.10793 -66.78199 3.32594 2.18287 -67.42458 800.66265
3035.0000 -70.56331 -66.49123 4.07208 2.26177 -66.66283 850.20622
3040.0000 -69.70480 -67.46062 2.24418 2.26330 -66.64806 847.33708
3045.0000 -69.55660 -66.37347 3.18313 2.25229 -66.75439 844.13353
3050.0000 -70.98027 -68.17563 2.80464 2.17881 -67.46381 800.31404
3055.0000 -71.12660 -67.69538 3.43122 2.08768 -68.34369 713.66997
3060.0000 -71.20422 -67.86132 3.34290 2.13447 -67.89191 720.65212
3065.0000 -69.44178 -66.52667 2.91511 2.19129 -67.34335 769.24028
3070.0000 -69.39477 -66.04934 3.34543 2.29039 -66.38657 861.87006
3075.0000 -70.69202 -66.83507 3.85694 2.26408 -66.64055 844.24468
3080.0000 -69.96618 -67.11959 2.84659 2.21233 -67.14019 826.20927
3085.0000 -69.33783 -66.77478 2.56306 2.22086 -67.05787 803.49411
3090.0000 -70.26780 -67.55140 2.71640 2.23097 -66.96023 805.54412
3095.0000 -70.43152 -67.15328 3.27824 2.17164 -67.53306 750.05959
3100.0000 -69.23772 -66.41085 2.82687 2.24256 -66.84831 818.62876
3105.0000 -69.80565 -66.60768 3.19797 2.26444 -66.63712 860.75840
3110.0000 -69.65856 -66.90486 2.75370 2.24851 -66.79091 856.43604
3115.0000 -70.00076 -66.77200 3.22876 2.24101 -66.86329 793.55063
3120.0000 -70.56931 -67.04603 3.52329 2.24255 -66.84842 772.57237
3125.0000 -69.94684 -66.68387 3.26297 2.25487 -66.72952 870.22312
3130.0000 -69.93976 -66.34909 3.59067 2.29722 -66.32058 900.13570
3135.0000 -70.74386 -66.91510 3.82876 2.26764 -66.60616 875.00741
3140.0000 -70.33815 -67.02060 3.31756 2.26570 -66.62487 882.10653
3145.0000 -69.97437 -65.62739 4.34697 2.27346 -66.54997 884.84754
3150.0000 -69.66205 -66.07735 3.58469 2.40526 -65.27752 922.39330
3155.0000 -69.78025 -66.89454 2.88571 2.26764 -66.60614 820.31076
3160.0000 -70.22612 -66.98244 3.24368 2.22254 -67.04158 819.64110
3165.0000 -70.92914 -67.40055 3.52859 2.15480 -67.69559 740.38307
3170.0000 -69.87699 -67.32760 2.54939 2.17995 -67.45279 755.47362
3175.0000 -70.20614 -67.40241 2.80373 2.20341 -67.22631 751.60314
3180.0000 -69.84182 -66.25337 3.58845 2.21359 -67.12800 809.58936
3185.0000 -70.30690 -67.44379 2.86311 2.21264 -67.13718 810.26588
3190.0000 -69.95334 -66.70968 3.24366 2.23358 -66.93500 834.83787
3195.0000 -68.15696 -65.84653 2.31042 2.29167 -66.37416 874.14194
3200.0000 -70.50743 -67.94391 2.56352 2.25732 -66.70578 822.08384
3205.0000 -70.32970 -67.64046 2.68924 2.19034 -67.35251 798.38833
3210.0000 -70.49911 -67.65249 2.84662 2.13827 -67.85525 727.85683
3215.0000 -70.08803 -66.66970 3.41833 2.21086 -67.15437 821.56140
3220.0000 -67.94652 -65.31057 2.63595 2.32564 -66.04621 930.39958
3225.0000 -69.35859 -65.49412 3.86447 2.42656 -65.07186 945.99709
3230.0000 -68.75418 -66.18060 2.57358 2.29488 -66.34322 846.55882
3235.0000 -69.09357 -65.55144 3.54213 2.36372 -65.67852 966.83978
3240.0000 -69.88477 -66.30614 3.57863 2.34198 -65.88846 939.93239
3245.0000 -69.22307 -65.43942 3.78365 2.40005 -65.32774 992.84370
3250.0000 -69.37402 -67.16845 2.20556 2.33726 -65.93402 937.61867
FREEZING PROCESS: loop number 14 T-loop= 790.00000000000000
main_MD> interactions number 14 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19576 3.29242 1.31243
force_rgl> df(natom) 1.21920 -1.56723 -3.26957
3255.0000 -70.19784 -66.36176 3.83607 2.21429 -67.12128 790.86122
3260.0000 -70.73184 -66.59389 4.13796 2.25400 -66.73784 926.77759
3265.0000 -70.66591 -66.69130 3.97462 2.23541 -66.91739 882.17305
3270.0000 -70.65755 -67.36397 3.29358 2.20542 -67.20693 848.94348
3275.0000 -70.94911 -67.98712 2.96199 2.14521 -67.78819 764.34931
3280.0000 -70.92870 -67.62673 3.30197 2.14344 -67.80527 797.21029
3285.0000 -71.02771 -68.15787 2.86984 2.13844 -67.85359 777.73579
3290.0000 -69.93952 -66.86565 3.07387 2.17244 -67.52530 741.80324
3295.0000 -70.89599 -67.44536 3.45063 2.23877 -66.88493 844.68282
3300.0000 -70.89282 -68.16015 2.73267 2.13324 -67.90379 783.86745
3305.0000 -71.21192 -68.41907 2.79285 2.07141 -68.50079 693.21103
3310.0000 -71.28341 -68.70295 2.58046 2.10061 -68.21881 714.80126
3315.0000 -70.86749 -67.79566 3.07183 2.11984 -68.03314 766.67437
3320.0000 -70.31853 -67.67492 2.64361 2.13708 -67.86671 773.01811
3325.0000 -69.90020 -67.21308 2.68712 2.17765 -67.47506 763.11650
3330.0000 -69.23715 -67.00406 2.23310 2.22508 -67.01710 813.84744
3335.0000 -70.73590 -67.62784 3.10806 2.14963 -67.74552 745.14454
3340.0000 -70.74071 -67.85838 2.88234 2.15712 -67.67322 770.62500
3345.0000 -70.78463 -68.72857 2.05607 2.13176 -67.91809 769.36368
3350.0000 -70.30189 -67.82699 2.47491 2.11949 -68.03655 716.24548
3355.0000 -71.26533 -68.31329 2.95205 2.09943 -68.23023 718.80805
3360.0000 -70.69405 -66.82311 3.87094 2.14586 -67.78195 749.38840
3365.0000 -70.12278 -67.04474 3.07803 2.30270 -66.26765 915.75658
3370.0000 -71.23824 -67.91310 3.32514 2.14622 -67.77848 773.53387
3375.0000 -70.22752 -67.90296 2.32456 2.11433 -68.08638 733.45744
3380.0000 -71.42431 -68.30597 3.11834 2.14970 -67.74488 737.62593
3385.0000 -69.71602 -66.71906 2.99696 2.16415 -67.60540 756.62189
3390.0000 -70.37790 -67.96163 2.41627 2.18589 -67.39548 779.17985
3395.0000 -70.61405 -67.54271 3.07133 2.19786 -67.27991 803.17716
3400.0000 -70.88402 -67.75467 3.12935 2.14411 -67.79885 729.17077
3405.0000 -71.13185 -67.54582 3.58603 2.13948 -67.84359 757.86983
3410.0000 -70.36317 -68.13435 2.22882 2.14653 -67.77548 742.41699
3415.0000 -70.52173 -67.94415 2.57758 2.14450 -67.79508 746.00773
3420.0000 -70.51391 -67.68390 2.83001 2.15865 -67.65849 791.73857
3425.0000 -69.32060 -66.91340 2.40721 2.17004 -67.54852 752.24292
3430.0000 -70.53443 -66.72906 3.80536 2.19173 -67.33910 774.37178
3435.0000 -70.50226 -66.71251 3.78975 2.23763 -66.89589 812.14868
3440.0000 -70.16757 -66.84450 3.32308 2.30346 -66.26035 872.89276
3445.0000 -70.21581 -66.51957 3.69623 2.24342 -66.84000 858.60818
3450.0000 -70.99837 -67.64100 3.35737 2.23608 -66.91093 825.51860
3455.0000 -70.49001 -67.76660 2.72341 2.16409 -67.60598 759.52793
3460.0000 -70.86545 -68.62420 2.24125 2.08615 -68.35842 709.07231
3465.0000 -70.67021 -67.80184 2.86837 2.12789 -67.95547 705.65223
3470.0000 -70.00495 -67.17454 2.83041 2.14277 -67.81179 727.50221
3475.0000 -70.53305 -66.74695 3.78610 2.28232 -66.46441 874.43487
3480.0000 -69.88197 -67.08845 2.79352 2.25028 -66.77378 828.05474
3485.0000 -70.05367 -67.09525 2.95842 2.17233 -67.52637 764.32775
3490.0000 -70.31313 -66.92229 3.39084 2.27879 -66.49848 840.05785
3495.0000 -70.09461 -66.89695 3.19766 2.27504 -66.53477 873.45439
3500.0000 -69.67068 -66.02706 3.64362 2.29412 -66.35053 846.58790
FREEZING PROCESS: loop number 15 T-loop= 765.00000000000000
main_MD> interactions number 15 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.77758 4.89708 0.54596
force_rgl> df(natom) 3.70662 -0.36628 0.64624
3505.0000 -70.00013 -66.64670 3.35343 2.24239 -66.84994 826.29708
3510.0000 -70.02725 -66.60484 3.42240 2.21846 -67.08097 749.01090
3515.0000 -70.77664 -68.21493 2.56172 2.20064 -67.25301 760.46144
3520.0000 -70.25079 -67.66212 2.58867 2.16098 -67.63601 767.90432
3525.0000 -70.82375 -68.22426 2.59949 2.16055 -67.64012 736.84872
3530.0000 -70.10064 -67.14885 2.95180 2.13539 -67.88308 717.79427
3535.0000 -70.69191 -66.87320 3.81870 2.23066 -66.96319 771.22475
3540.0000 -70.78618 -67.50486 3.28131 2.24765 -66.79915 836.08802
3545.0000 -71.43785 -68.22660 3.21125 2.15574 -67.68656 767.58495
3550.0000 -71.70972 -69.12341 2.58631 2.09531 -68.27002 723.34969
3555.0000 -71.14088 -68.32812 2.81276 2.02680 -68.93142 634.69886
3560.0000 -70.36571 -67.28432 3.08139 2.14100 -67.82891 737.07094
3565.0000 -71.35040 -67.96064 3.38976 2.14574 -67.78310 759.27886
3570.0000 -71.04392 -68.44228 2.60163 2.08643 -68.35570 679.26559
3575.0000 -70.67331 -68.31018 2.36312 2.05725 -68.63744 647.99301
3580.0000 -70.81348 -67.94464 2.86884 2.06458 -68.56666 663.71545
3585.0000 -71.22571 -68.18713 3.03858 2.11961 -68.03537 708.64555
3590.0000 -71.35941 -68.27725 3.08216 2.08830 -68.33765 720.14335
3595.0000 -70.99366 -67.53683 3.45683 2.11661 -68.06432 706.29942
3600.0000 -70.16685 -67.78610 2.38076 2.14556 -67.78488 735.76635
3605.0000 -71.23038 -67.60090 3.62948 2.17755 -67.47594 755.58243
3610.0000 -70.25728 -67.57734 2.67993 2.16956 -67.55316 777.98221
3615.0000 -70.60797 -67.51532 3.09265 2.15945 -67.65074 737.75884
3620.0000 -69.87894 -67.18388 2.69505 2.16815 -67.56678 795.64677
3625.0000 -70.43305 -68.54126 1.89180 2.11776 -68.05327 719.19822
3630.0000 -70.33387 -67.39134 2.94253 2.10780 -68.14944 689.10407
3635.0000 -70.32216 -67.34910 2.97307 2.22335 -67.03381 772.70559
3640.0000 -69.93214 -66.73097 3.20116 2.21434 -67.12076 768.78646
3645.0000 -70.26826 -67.59435 2.67391 2.19775 -67.28092 838.30621
3650.0000 -71.13318 -68.74820 2.38497 2.09469 -68.27599 732.21709
3655.0000 -70.98846 -68.85319 2.13528 2.00282 -69.16296 644.90106
3660.0000 -71.35899 -68.90160 2.45739 2.09261 -68.29604 708.24118
3665.0000 -70.96869 -68.85750 2.11119 2.03615 -68.84121 671.14122
3670.0000 -70.61919 -67.27042 3.34877 2.07799 -68.43724 672.35729
3675.0000 -71.29493 -67.97915 3.31577 2.17989 -67.45335 779.87503
3680.0000 -69.62158 -67.27696 2.34462 2.15616 -67.68249 729.06628
3685.0000 -70.79665 -68.38359 2.41305 2.15022 -67.73982 703.90730
3690.0000 -71.39903 -69.04397 2.35506 2.07619 -68.45463 708.28074
3695.0000 -71.18225 -69.39468 1.78758 1.97011 -69.47882 591.11015
3700.0000 -71.48188 -68.73494 2.74693 2.03418 -68.86017 633.96507
3705.0000 -70.71012 -67.36928 3.34084 2.13126 -67.92293 747.79727
3710.0000 -70.59189 -67.43394 3.15794 2.15960 -67.64929 732.45579
3715.0000 -70.76401 -68.27205 2.49196 2.12569 -67.97670 693.78739
3720.0000 -70.52515 -67.70706 2.81809 2.10531 -68.17349 708.42291
3725.0000 -70.66825 -68.29576 2.37249 2.07803 -68.43683 677.69616
3730.0000 -71.19496 -68.44557 2.74939 2.10533 -68.17325 700.32982
3735.0000 -71.28128 -67.81768 3.46360 2.12118 -68.02021 726.86997
3740.0000 -70.15503 -67.99139 2.16364 2.10691 -68.15804 748.90998
3745.0000 -70.57202 -67.84600 2.72602 2.05196 -68.68857 664.19125
3750.0000 -71.25965 -68.32076 2.93890 2.15224 -67.72033 745.72114
FREEZING PROCESS: loop number 16 T-loop= 740.00000000000000
main_MD> interactions number 16 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11751 1.64780 0.65704
force_rgl> df(natom) 0.07208 -6.19415 0.05642
3755.0000 -71.13989 -68.64444 2.49545 2.12103 -68.02168 720.89378
3760.0000 -71.07039 -67.78567 3.28472 2.08347 -68.38429 695.11522
3765.0000 -70.56510 -68.51809 2.04701 2.09491 -68.27386 689.32148
3770.0000 -71.21870 -68.80620 2.41249 2.07539 -68.46229 718.29808
3775.0000 -70.31850 -67.72703 2.59146 2.03539 -68.84850 648.81489
3780.0000 -70.66467 -66.41934 4.24534 2.17894 -67.46257 767.40924
3785.0000 -70.60887 -67.39087 3.21800 2.26657 -66.61649 886.29627
3790.0000 -70.69615 -67.78025 2.91590 2.12963 -67.93870 741.03535
3795.0000 -71.39778 -68.08594 3.31185 2.17503 -67.50033 753.59551
3800.0000 -70.51265 -67.23156 3.28109 2.13002 -67.93488 721.99522
3805.0000 -71.34803 -68.03486 3.31317 2.16878 -67.56068 770.40306
3810.0000 -70.10399 -67.62386 2.48013 2.14707 -67.77025 727.87467
3815.0000 -70.59851 -67.39139 3.20712 2.18654 -67.38923 796.29457
3820.0000 -70.83940 -67.36703 3.47237 2.19337 -67.32322 771.44465
3825.0000 -70.95034 -67.50728 3.44307 2.18960 -67.35967 780.09277
3830.0000 -71.17033 -68.94440 2.22593 2.11337 -68.09566 738.90189
3835.0000 -69.75515 -67.08107 2.67408 2.13099 -67.92552 725.55972
3840.0000 -70.00526 -67.25057 2.75469 2.18824 -67.37280 753.77532
3845.0000 -70.18344 -67.02111 3.16233 2.18470 -67.40696 779.57863
3850.0000 -70.48201 -67.16855 3.31345 2.18320 -67.42144 765.56288
3855.0000 -70.39786 -67.40933 2.98853 2.17206 -67.52898 755.33533
3860.0000 -70.88031 -67.69306 3.18725 2.09173 -68.30453 691.84283
3865.0000 -71.13598 -68.59575 2.54022 2.13943 -67.84402 733.45696
3870.0000 -70.18724 -67.33446 2.85277 2.14174 -67.82173 754.02031
3875.0000 -70.95731 -67.55746 3.39984 2.15836 -67.66128 789.86401
3880.0000 -70.04707 -67.69430 2.35277 2.14036 -67.83504 744.91741
3885.0000 -70.88979 -67.70145 3.18834 2.15372 -67.70605 766.72969
3890.0000 -71.05482 -69.10726 1.94756 2.09506 -68.27238 716.83918
3895.0000 -70.57487 -68.28469 2.29018 2.05077 -68.70008 668.70981
3900.0000 -70.14051 -67.64509 2.49542 2.15191 -67.72356 743.29922
3905.0000 -70.73440 -68.49256 2.24184 2.13554 -67.88161 756.63542
3910.0000 -70.17627 -67.28230 2.89398 2.14274 -67.81206 746.34143
3915.0000 -70.00412 -67.31935 2.68477 2.19555 -67.30222 776.81207
3920.0000 -69.90030 -67.19550 2.70480 2.21033 -67.15947 793.66791
3925.0000 -70.44997 -67.06286 3.38711 2.21478 -67.11652 777.56783
3930.0000 -69.88784 -67.09377 2.79407 2.19428 -67.31441 780.36823
3935.0000 -69.94793 -67.76047 2.18746 2.16847 -67.56361 776.08329
3940.0000 -70.18410 -67.30288 2.88121 2.17537 -67.49704 756.59343
3945.0000 -70.58861 -67.22168 3.36693 2.14244 -67.81498 744.92442
3950.0000 -71.15270 -67.71849 3.43421 2.18955 -67.36015 764.83708
3955.0000 -70.23126 -67.04377 3.18749 2.17700 -67.48127 775.57903
3960.0000 -70.02494 -66.88092 3.14402 2.24593 -66.81583 805.47534
3965.0000 -69.63767 -66.66306 2.97461 2.27313 -66.55317 818.01006
3970.0000 -71.04250 -67.54690 3.49559 2.18095 -67.44317 745.70635
3975.0000 -71.39741 -68.08991 3.30750 2.13326 -67.90363 769.11771
3980.0000 -70.56982 -67.76058 2.80924 2.12333 -67.99943 710.92628
3985.0000 -72.25030 -69.32682 2.92348 2.10358 -68.19015 700.88625
3990.0000 -70.72981 -67.82540 2.90442 2.05926 -68.61807 671.73310
3995.0000 -70.75649 -67.39897 3.35752 2.13241 -67.91176 764.61747
4000.0000 -69.82782 -66.60555 3.22227 2.28142 -66.47314 869.14017
FREEZING PROCESS: loop number 17 T-loop= 715.00000000000000
main_MD> interactions number 17 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.95233 0.75791 -3.07254
force_rgl> df(natom) 3.38705 -0.05317 1.33166
4005.0000 -70.82536 -66.61876 4.20660 2.22218 -67.04509 794.57229
4010.0000 -70.02368 -66.96310 3.06058 2.29500 -66.34205 899.95221
4015.0000 -70.42161 -67.63601 2.78560 2.20873 -67.17498 837.88351
4020.0000 -70.56896 -67.70066 2.86831 2.11357 -68.09366 680.17040
4025.0000 -70.85561 -68.38645 2.46916 2.10807 -68.14685 712.68289
4030.0000 -70.77101 -68.30980 2.46120 2.05891 -68.62140 631.24353
4035.0000 -70.81366 -68.39655 2.41712 2.15941 -67.65114 750.49705
4040.0000 -70.43884 -67.53182 2.90702 2.13524 -67.88444 734.28888
4045.0000 -71.30851 -68.34706 2.96145 2.13702 -67.86728 719.84103
4050.0000 -70.84707 -67.93034 2.91673 2.14466 -67.79354 711.14854
4055.0000 -71.75442 -68.79673 2.95769 2.12149 -68.01720 722.11871
4060.0000 -71.15265 -67.89175 3.26090 2.09901 -68.23425 740.40556
4065.0000 -70.27069 -66.80931 3.46138 2.21272 -67.13641 823.37861
4070.0000 -70.23190 -67.79995 2.43195 2.18094 -67.44327 786.36327
4075.0000 -70.19409 -67.62431 2.56979 2.13373 -67.89910 736.09125
4080.0000 -70.60897 -66.74599 3.86298 2.21139 -67.14930 794.88311
4085.0000 -70.29962 -67.83737 2.46225 2.20274 -67.23282 782.15465
4090.0000 -71.57593 -68.54508 3.03085 2.07933 -68.42425 678.52393
4095.0000 -70.60672 -67.62080 2.98591 2.13728 -67.86483 743.18190
4100.0000 -71.79777 -69.80952 1.98824 2.03888 -68.81485 672.62703
4105.0000 -71.72391 -69.23151 2.49241 1.98837 -69.30253 609.24382
4110.0000 -71.65164 -68.59907 3.05257 1.98431 -69.34169 634.27453
4115.0000 -71.03804 -67.60944 3.42860 2.05575 -68.65197 675.18101
4120.0000 -70.53806 -67.61641 2.92165 2.16978 -67.55105 741.38296
4125.0000 -69.85958 -67.06273 2.79686 2.25352 -66.74246 817.01754
4130.0000 -70.16414 -67.03362 3.13052 2.21559 -67.10871 747.20686
4135.0000 -69.68737 -65.86099 3.82638 2.27399 -66.54491 830.59083
4140.0000 -69.44392 -65.59135 3.85258 2.39579 -65.36886 955.81222
4145.0000 -70.60300 -67.01742 3.58558 2.27050 -66.57853 849.04230
4150.0000 -70.61799 -67.43844 3.17955 2.18965 -67.35913 802.08229
4155.0000 -70.71964 -67.93814 2.78151 2.13554 -67.88159 741.45096
4160.0000 -70.29318 -66.51268 3.78049 2.20009 -67.25836 820.01054
4165.0000 -70.48442 -67.77413 2.71029 2.27245 -66.55972 860.55273
4170.0000 -70.77891 -67.77751 3.00140 2.12600 -67.97374 727.81569
4175.0000 -70.93451 -69.01624 1.91827 2.11090 -68.11952 692.27569
4180.0000 -70.99629 -68.27414 2.72215 2.05580 -68.65148 669.15638
4185.0000 -70.59518 -67.68412 2.91106 2.14042 -67.83445 741.36875
4190.0000 -70.82588 -68.83797 1.98792 2.09345 -68.28795 692.30183
4195.0000 -70.83943 -68.21811 2.62132 2.08601 -68.35977 675.07170
4200.0000 -69.90914 -67.13177 2.77737 2.18586 -67.39572 761.18105
4205.0000 -71.05513 -67.94883 3.10630 2.16412 -67.60566 804.74807
4210.0000 -70.66958 -68.16747 2.50211 2.14667 -67.77413 717.14545
4215.0000 -71.05840 -68.52997 2.52843 2.10876 -68.14013 725.43552
4220.0000 -70.55803 -68.69826 1.85977 2.07934 -68.42417 676.63398
4225.0000 -70.33901 -67.99603 2.34298 2.11479 -68.08196 665.43522
4230.0000 -70.42962 -67.89650 2.53311 2.15692 -67.67513 746.96592
4235.0000 -70.40649 -68.00953 2.39696 2.16753 -67.57276 779.51385
4240.0000 -69.76932 -67.26986 2.49946 2.15088 -67.73347 739.99222
4245.0000 -70.60310 -67.13101 3.47209 2.21689 -67.09620 818.10742
4250.0000 -70.52395 -67.56580 2.95815 2.18244 -67.42877 742.70291
FREEZING PROCESS: loop number 18 T-loop= 690.00000000000000
main_MD> interactions number 18 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49118 3.15891 -1.00451
force_rgl> df(natom) 0.07933 7.34110 2.36364
4255.0000 -71.01537 -68.71645 2.29892 2.09162 -68.30562 679.16274
4260.0000 -70.62480 -68.08767 2.53713 2.07794 -68.43772 634.59750
4265.0000 -71.42358 -69.03730 2.38628 2.06796 -68.53407 664.55382
4270.0000 -70.56978 -68.34717 2.22261 2.08394 -68.37981 668.51584
4275.0000 -71.03525 -68.02433 3.01091 2.11516 -68.07835 711.04335
4280.0000 -70.74856 -68.10025 2.64831 2.09049 -68.31650 692.09266
4285.0000 -70.84943 -68.61381 2.23562 2.06973 -68.51694 652.15192
4290.0000 -71.41794 -68.41655 3.00139 2.11026 -68.12569 707.63087
4295.0000 -70.54567 -67.68046 2.86521 2.15095 -67.73277 730.96993
4300.0000 -70.84718 -68.07122 2.77597 2.16332 -67.61333 750.83690
4305.0000 -70.74817 -68.21361 2.53456 2.17682 -67.48301 776.91632
4310.0000 -70.67708 -68.29732 2.37976 2.08035 -68.41444 676.68645
4315.0000 -70.75125 -68.94511 1.80615 2.09032 -68.31820 671.90269
4320.0000 -71.09556 -67.89199 3.20356 2.12355 -67.99739 733.37712
4325.0000 -70.99724 -68.08062 2.91662 2.17231 -67.52663 760.98436
4330.0000 -70.19704 -67.58119 2.61585 2.18325 -67.42091 741.17210
4335.0000 -70.93528 -67.83755 3.09773 2.12704 -67.96362 716.37772
4340.0000 -70.94737 -68.46997 2.47740 2.11225 -68.10644 696.11902
4345.0000 -70.47709 -67.11011 3.36698 2.12682 -67.96582 745.69407
4350.0000 -71.37725 -68.59521 2.78204 2.14676 -67.77327 749.66832
4355.0000 -71.09478 -68.68876 2.40602 2.07509 -68.46519 663.63757
4360.0000 -71.38913 -69.24711 2.14202 1.97478 -69.43371 582.97150
4365.0000 -71.28511 -68.55710 2.72801 2.03098 -68.89113 625.23284
4370.0000 -71.58539 -68.66123 2.92416 2.07802 -68.43690 716.32645
4375.0000 -71.72941 -68.72101 3.00840 2.06364 -68.57579 664.61592
4380.0000 -71.90914 -69.09508 2.81407 2.03237 -68.87766 657.43481
4385.0000 -71.17370 -68.15617 3.01752 2.01602 -69.03556 673.58831
4390.0000 -71.61249 -69.32350 2.28899 2.05600 -68.64957 703.56198
4395.0000 -71.19013 -68.67358 2.51654 1.99518 -69.23674 619.44546
4400.0000 -69.65462 -67.52295 2.13167 2.09620 -68.26144 724.17093
4405.0000 -70.57811 -68.14326 2.43485 2.14042 -67.83444 740.82110
4410.0000 -70.50585 -68.57816 1.92769 2.05185 -68.68960 633.15387
4415.0000 -71.23689 -67.98701 3.24988 2.11168 -68.11191 683.96548
4420.0000 -70.27645 -67.46189 2.81456 2.16135 -67.63242 790.31108
4425.0000 -70.78779 -68.16231 2.62548 2.12652 -67.96867 714.51587
4430.0000 -71.25895 -69.04826 2.21069 2.05302 -68.67835 658.34361
4435.0000 -71.45640 -69.08387 2.37253 2.00139 -69.17676 594.53280
4440.0000 -71.11139 -69.09649 2.01490 2.02442 -68.95439 627.82392
4445.0000 -71.54481 -68.56904 2.97577 2.04822 -68.72464 667.03321
4450.0000 -70.93639 -67.71522 3.22117 2.10623 -68.16459 724.05832
4455.0000 -71.91824 -68.39709 3.52115 2.10060 -68.21892 730.66940
4460.0000 -70.97729 -67.88752 3.08977 2.12346 -67.99821 735.70033
4465.0000 -71.02571 -68.49913 2.52658 2.11086 -68.11990 728.97207
4470.0000 -70.84082 -67.51776 3.32306 2.12214 -68.01092 783.70786
4475.0000 -70.66443 -67.54411 3.12032 2.17346 -67.51552 790.52564
4480.0000 -70.43068 -67.81607 2.61461 2.11766 -68.05421 704.89163
4485.0000 -70.36636 -67.77611 2.59024 2.16765 -67.57159 789.17691
4490.0000 -71.22328 -68.69700 2.52628 2.10120 -68.21316 715.55862
4495.0000 -71.36953 -69.11061 2.25891 1.99325 -69.25539 602.91028
4500.0000 -71.85777 -69.15981 2.69796 2.01642 -69.03170 633.81910
FREEZING PROCESS: loop number 19 T-loop= 665.00000000000000
main_MD> interactions number 19 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56821 2.34695 0.14101
force_rgl> df(natom) -0.38655 -2.64305 2.64646
4505.0000 -71.50570 -69.24083 2.26488 2.01640 -69.03190 626.15239
4510.0000 -70.88865 -68.38658 2.50207 2.04175 -68.78716 628.80076
4515.0000 -70.78556 -67.72236 3.06320 2.06655 -68.54768 669.94715
4520.0000 -69.65306 -67.19373 2.45933 2.17201 -67.52945 748.99329
4525.0000 -71.35702 -68.93376 2.42327 2.14035 -67.83513 746.47898
4530.0000 -71.26190 -68.60581 2.65608 2.05347 -68.67398 623.14709
4535.0000 -69.66550 -66.93805 2.72746 2.17508 -67.49980 798.16409
4540.0000 -71.00001 -68.79343 2.20658 2.11310 -68.09823 713.26948
4545.0000 -71.01513 -68.57466 2.44047 2.08219 -68.39664 676.06130
4550.0000 -71.17676 -68.35540 2.82136 2.02634 -68.93586 619.36611
4555.0000 -72.03118 -69.01048 3.02070 2.03092 -68.89167 662.62731
4560.0000 -71.28778 -68.74859 2.53920 2.03453 -68.85684 626.88855
4565.0000 -71.79390 -69.37565 2.41825 2.04468 -68.75885 665.79036
4570.0000 -71.56990 -69.36741 2.20250 2.02869 -68.91324 644.86497
4575.0000 -71.90691 -69.38967 2.51724 2.00435 -69.14819 636.98402
4580.0000 -71.65180 -68.83174 2.82006 2.02513 -68.94757 678.07102
4585.0000 -71.93423 -69.28322 2.65101 2.06160 -68.59545 684.29216
4590.0000 -71.84570 -69.39968 2.44602 1.98020 -69.38135 617.26280
4595.0000 -71.00602 -68.45480 2.55122 2.07901 -68.42742 696.97960
4600.0000 -70.40694 -68.11887 2.28807 2.09863 -68.23791 678.04230
4605.0000 -71.45136 -68.77495 2.67641 2.07303 -68.48511 679.21193
4610.0000 -70.82558 -67.89714 2.92844 2.02816 -68.91835 615.76040
4615.0000 -71.00243 -68.49227 2.51016 2.12462 -67.98698 723.66109
4620.0000 -71.37336 -68.99113 2.38223 2.03054 -68.89533 655.51961
4625.0000 -70.89024 -68.27351 2.61673 2.05078 -68.69996 645.41183
4630.0000 -71.48183 -68.81419 2.66764 2.06008 -68.61018 698.81632
4635.0000 -71.83881 -69.28456 2.55426 2.05022 -68.70539 690.01224
4640.0000 -71.72544 -69.53821 2.18723 1.95685 -69.60684 606.61662
4645.0000 -72.11508 -69.15704 2.95804 2.01084 -69.08556 628.26849
4650.0000 -71.97091 -68.32341 3.64750 2.04411 -68.76437 655.33938
4655.0000 -70.95296 -68.64947 2.30349 2.01891 -69.00761 634.25130
4660.0000 -70.48992 -67.92744 2.56248 2.09142 -68.30759 743.94803
4665.0000 -70.84549 -67.73216 3.11333 2.08761 -68.34431 723.82826
4670.0000 -70.95669 -68.36438 2.59231 2.13957 -67.84273 758.48875
4675.0000 -70.94369 -68.31661 2.62708 2.07632 -68.45331 654.89306
4680.0000 -71.09536 -68.96000 2.13536 2.08630 -68.35701 664.17395
4685.0000 -71.15280 -68.63321 2.51959 2.03601 -68.84255 611.00632
4690.0000 -71.11988 -69.22775 1.89213 2.04780 -68.72873 660.87622
4695.0000 -71.79838 -69.23257 2.56581 2.03556 -68.84689 659.59358
4700.0000 -71.12157 -68.53419 2.58739 2.02940 -68.90640 684.38782
4705.0000 -71.45052 -68.52942 2.92110 2.02859 -68.91418 666.10780
4710.0000 -70.19581 -67.60791 2.58790 2.09663 -68.25726 680.95824
4715.0000 -71.08967 -68.54807 2.54160 2.09301 -68.29217 670.89343
4720.0000 -70.53025 -68.51625 2.01399 2.08186 -68.39986 678.21555
4725.0000 -71.20356 -68.73739 2.46617 2.04926 -68.71464 625.17359
4730.0000 -72.18341 -69.33789 2.84552 2.04249 -68.78001 663.71116
4735.0000 -71.68550 -69.14478 2.54072 1.97229 -69.45775 618.60010
4740.0000 -71.79644 -69.69858 2.09786 1.96229 -69.55429 542.47825
4745.0000 -71.71727 -69.27511 2.44216 1.95396 -69.63470 539.51628
4750.0000 -71.62909 -68.50642 3.12266 2.04568 -68.74920 634.01267
FREEZING PROCESS: loop number 20 T-loop= 640.00000000000000
main_MD> interactions number 20 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.23386 2.34895 -0.06524
force_rgl> df(natom) 1.07351 0.48952 0.44350
4755.0000 -70.84836 -68.82654 2.02182 2.06141 -68.59729 637.75002
4760.0000 -71.46582 -68.89103 2.57478 2.04877 -68.71929 643.67775
4765.0000 -72.08978 -69.52896 2.56082 2.02104 -68.98708 632.55578
4770.0000 -72.10895 -70.16169 1.94726 1.91997 -69.96286 531.86614
4775.0000 -71.99072 -69.04772 2.94300 1.98907 -69.29572 590.72220
4780.0000 -71.70752 -69.01674 2.69077 2.03617 -68.84096 638.59216
4785.0000 -71.86357 -69.15876 2.70481 1.99900 -69.19985 598.81917
4790.0000 -71.84580 -69.05498 2.79082 2.01222 -69.07218 604.65389
4795.0000 -71.29879 -69.48587 1.81292 1.99859 -69.20387 595.42195
4800.0000 -72.24024 -69.64579 2.59445 1.98399 -69.34475 634.61188
4805.0000 -71.47039 -68.97872 2.49168 1.98741 -69.31172 586.48485
4810.0000 -71.78458 -69.51923 2.26535 1.99623 -69.22661 614.87787
4815.0000 -71.72874 -69.47280 2.25594 1.95471 -69.62748 543.55042
4820.0000 -71.67386 -69.65603 2.01783 1.95592 -69.61578 558.34161
4825.0000 -71.79488 -69.89444 1.90044 1.95518 -69.62292 542.50031
4830.0000 -71.92634 -69.72046 2.20588 1.93292 -69.83791 531.94267
4835.0000 -70.99055 -69.17586 1.81469 1.99389 -69.24920 583.99133
4840.0000 -71.02845 -69.37556 1.65289 2.02898 -68.91041 587.84896
4845.0000 -72.08224 -69.81855 2.26370 2.00457 -69.14611 629.41045
4850.0000 -71.37026 -68.64913 2.72113 1.99539 -69.23473 638.28913
4855.0000 -71.04839 -69.15426 1.89413 2.03478 -68.85443 642.20962
4860.0000 -71.08443 -67.86343 3.22099 2.04104 -68.79402 629.64223
4865.0000 -70.28718 -67.98734 2.29985 2.12414 -67.99165 720.52911
4870.0000 -71.03192 -68.34607 2.68586 2.07150 -68.49985 646.41951
4875.0000 -71.91388 -69.16802 2.74586 2.05219 -68.68633 657.32802
4880.0000 -70.61082 -68.61008 2.00074 1.99281 -69.25959 598.73113
4885.0000 -71.42475 -68.60075 2.82401 2.05752 -68.63488 700.93639
4890.0000 -71.56018 -68.39187 3.16831 2.04560 -68.74999 666.93787
4895.0000 -71.18352 -68.72587 2.45765 2.06770 -68.53659 687.62350
4900.0000 -71.56823 -68.84857 2.71966 2.06099 -68.60134 665.32547
4905.0000 -71.37261 -68.06653 3.30609 2.09517 -68.27131 717.90085
4910.0000 -71.21189 -68.17969 3.03220 2.09993 -68.22544 703.98335
4915.0000 -71.31783 -69.33024 1.98759 2.04056 -68.79861 613.75847
4920.0000 -71.56138 -69.02935 2.53203 1.99677 -69.22137 577.56463
4925.0000 -71.80227 -69.43464 2.36763 2.01422 -69.05290 607.51388
4930.0000 -71.60301 -69.28677 2.31624 1.96728 -69.50614 587.85441
4935.0000 -72.30417 -69.99045 2.31372 1.98970 -69.28966 599.33817
4940.0000 -70.95276 -68.16764 2.78512 2.02865 -68.91363 626.68921
4945.0000 -71.29939 -68.60649 2.69290 2.10260 -68.19965 701.89639
4950.0000 -71.23391 -69.10710 2.12681 2.01040 -69.08977 656.46076
4955.0000 -71.67912 -69.29649 2.38262 2.04832 -68.72371 645.46092
4960.0000 -71.28648 -68.06711 3.21937 2.02556 -68.94346 627.34627
4965.0000 -71.61693 -69.03599 2.58094 2.07418 -68.47400 661.43933
4970.0000 -71.45728 -69.32610 2.13118 1.98432 -69.34164 551.58815
4975.0000 -71.19431 -68.26187 2.93244 2.05294 -68.67907 646.85467
4980.0000 -71.45136 -68.57195 2.87942 2.10131 -68.21209 714.78041
4985.0000 -70.98490 -68.74400 2.24089 2.05254 -68.68292 670.14297
4990.0000 -70.88118 -67.67631 3.20487 2.12856 -67.94902 758.98228
4995.0000 -70.57745 -67.60438 2.97307 2.09702 -68.25345 694.53017
5000.0000 -71.74436 -68.47938 3.26498 2.12320 -68.00069 770.76846
FREEZING PROCESS: loop number 21 T-loop= 615.00000000000000
main_MD> interactions number 21 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46132 -0.09251 0.08289
force_rgl> df(natom) 0.23306 -1.55567 0.89925
5005.0000 -71.64000 -68.82474 2.81527 2.02349 -68.96339 665.66050
5010.0000 -71.41967 -68.31942 3.10025 2.06777 -68.53592 655.83080
5015.0000 -71.14230 -68.96918 2.17312 2.04943 -68.71294 679.33674
5020.0000 -71.40388 -68.43568 2.96821 2.01768 -69.01951 639.41682
5025.0000 -71.34975 -68.80046 2.54929 1.99707 -69.21853 592.08993
5030.0000 -71.54735 -69.14166 2.40569 2.03166 -68.88457 643.41687
5035.0000 -71.05950 -69.26451 1.79499 1.98980 -69.28869 621.26121
5040.0000 -71.37478 -68.72434 2.65044 1.96165 -69.56047 590.54004
5045.0000 -71.96778 -69.15036 2.81742 2.01907 -69.00606 650.93790
5050.0000 -71.83505 -69.03921 2.79584 2.01381 -69.05688 627.39979
5055.0000 -71.34039 -68.48095 2.85944 2.03887 -68.81490 634.20135
5060.0000 -71.44015 -69.23199 2.20816 2.01025 -69.09120 597.31207
5065.0000 -71.81292 -69.62038 2.19254 1.99628 -69.22612 609.23764
5070.0000 -71.26489 -68.66289 2.60199 2.02869 -68.91322 655.30497
5075.0000 -70.30130 -66.84217 3.45913 2.12673 -67.96666 715.90125
5080.0000 -71.42248 -68.92570 2.49678 2.13710 -67.86657 728.51782
5085.0000 -71.39396 -68.66234 2.73162 2.02717 -68.92793 632.66464
5090.0000 -70.61362 -68.49081 2.12281 2.07512 -68.46492 666.46916
5095.0000 -71.45237 -68.94528 2.50709 2.10779 -68.14953 734.78057
5100.0000 -71.37155 -69.20053 2.17102 1.99601 -69.22877 597.38111
5105.0000 -72.33772 -69.33141 3.00631 1.98519 -69.33318 550.79789
5110.0000 -71.87133 -69.52354 2.34779 1.96640 -69.51466 611.07636
5115.0000 -71.20617 -68.71659 2.48957 1.96033 -69.57324 585.26785
5120.0000 -71.86718 -69.72052 2.14666 2.01580 -69.03763 641.48620
5125.0000 -71.86548 -69.12625 2.73924 1.95992 -69.57721 601.73649
5130.0000 -71.37341 -68.96556 2.40785 2.01149 -69.07925 631.03556
5135.0000 -70.39681 -68.05173 2.34508 2.07049 -68.50961 688.98357
5140.0000 -71.21166 -68.99365 2.21801 2.07028 -68.51166 652.79385
5145.0000 -71.70841 -69.58393 2.12448 1.98446 -69.34027 547.63446
5150.0000 -71.66099 -69.84951 1.81148 1.94990 -69.67397 535.00069
5155.0000 -70.60035 -68.85924 1.74112 1.97724 -69.40996 565.79281
5160.0000 -71.44006 -69.32704 2.11303 1.97379 -69.44326 555.69854
5165.0000 -70.92222 -67.53496 3.38726 2.09008 -68.32046 665.77912
5170.0000 -71.38812 -69.06711 2.32101 2.09191 -68.30284 680.11067
5175.0000 -71.61115 -68.27288 3.33827 2.05738 -68.63620 678.96296
5180.0000 -71.97747 -69.41663 2.56084 2.01558 -69.03977 646.82529
5185.0000 -71.53358 -69.60766 1.92592 1.96402 -69.53759 555.70131
5190.0000 -71.77328 -69.66020 2.11308 1.97934 -69.38966 568.54893
5195.0000 -71.88631 -69.34281 2.54351 1.94680 -69.70381 575.07408
5200.0000 -71.93531 -70.08011 1.85520 1.94980 -69.67488 560.64739
5205.0000 -71.37299 -68.95539 2.41760 1.93501 -69.81764 562.93331
5210.0000 -71.88078 -69.03538 2.84541 2.03503 -68.85196 671.40627
5215.0000 -71.83099 -69.04362 2.78738 1.99812 -69.20835 619.16256
5220.0000 -71.91937 -69.44646 2.47291 1.98845 -69.30173 649.89089
5225.0000 -71.71490 -69.67833 2.03656 1.95654 -69.60982 580.97916
5230.0000 -71.78495 -69.79542 1.98953 1.91979 -69.96462 501.32164
5235.0000 -70.62503 -68.02143 2.60361 2.04404 -68.76502 644.29241
5240.0000 -72.12234 -69.37364 2.74870 2.07674 -68.44928 724.09646
5245.0000 -71.88663 -70.00281 1.88383 1.96593 -69.51912 600.79898
5250.0000 -72.52250 -70.74808 1.77443 1.90258 -70.13075 547.65390
FREEZING PROCESS: loop number 22 T-loop= 590.00000000000000
main_MD> interactions number 22 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.33228 1.79197 1.54925
force_rgl> df(natom) 2.34642 -4.48493 -1.18205
5255.0000 -71.29334 -69.21443 2.07891 1.88589 -70.29191 525.73642
5260.0000 -72.26145 -69.19337 3.06808 2.01568 -69.03884 642.37833
5265.0000 -71.58442 -69.83246 1.75195 1.98406 -69.34414 584.73647
5270.0000 -71.65634 -69.40516 2.25118 1.95507 -69.62399 558.70317
5275.0000 -72.05793 -70.13804 1.91989 1.94592 -69.71238 584.35598
5280.0000 -72.01509 -69.60531 2.40978 1.93499 -69.81787 542.41692
5285.0000 -71.26515 -69.36039 1.90476 1.95583 -69.61667 556.92065
5290.0000 -71.51129 -69.00697 2.50433 2.04960 -68.71128 642.76763
5295.0000 -72.24067 -69.75565 2.48502 1.97784 -69.40412 615.81292
5300.0000 -72.08019 -70.19830 1.88189 1.89256 -70.22754 516.90387
5305.0000 -72.42095 -70.17434 2.24660 1.86388 -70.50444 505.30886
5310.0000 -72.06921 -69.68495 2.38426 1.94153 -69.75474 560.42320
5315.0000 -71.74826 -69.27613 2.47213 1.91779 -69.98389 532.15895
5320.0000 -71.58221 -70.08893 1.49329 1.95187 -69.65491 573.15244
5325.0000 -71.75266 -69.15147 2.60119 1.97572 -69.42465 587.37422
5330.0000 -70.98048 -68.26125 2.71923 2.04226 -68.78215 634.04925
5335.0000 -70.81136 -68.32376 2.48759 2.04482 -68.75746 654.00938
5340.0000 -72.12348 -69.82936 2.29411 2.02168 -68.98090 658.70818
5345.0000 -72.60032 -69.97385 2.62646 1.91825 -69.97954 521.26120
5350.0000 -72.35034 -70.46337 1.88697 1.86106 -70.53165 483.45074
5355.0000 -71.87659 -69.47091 2.40568 1.92343 -69.92944 566.48724
5360.0000 -72.48326 -70.94154 1.54171 1.88637 -70.28727 534.15016
5365.0000 -71.90066 -69.96651 1.93415 1.84893 -70.64881 482.62134
5370.0000 -71.54900 -69.33837 2.21063 1.92793 -69.88608 550.11949
5375.0000 -71.39528 -69.03964 2.35563 1.98364 -69.34815 604.41828
5380.0000 -71.92951 -69.94162 1.98789 1.97398 -69.44143 570.87490
5385.0000 -71.33978 -68.63368 2.70610 2.01400 -69.05500 624.29051
5390.0000 -71.45673 -69.64697 1.80977 2.02215 -68.97631 619.28125
5395.0000 -72.23817 -70.36326 1.87491 1.93286 -69.83849 538.46091
5400.0000 -71.59031 -69.38828 2.20203 1.93276 -69.83940 538.00694
5405.0000 -72.52821 -70.13227 2.39594 1.94218 -69.74842 558.21514
5410.0000 -71.54702 -68.88213 2.66489 1.97169 -69.46350 618.23062
5415.0000 -71.51494 -68.87981 2.63513 1.99008 -69.28603 608.95032
5420.0000 -71.67440 -69.47140 2.20300 2.02270 -68.97104 601.97132
5425.0000 -71.55994 -69.76788 1.79206 1.96281 -69.54931 560.34876
5430.0000 -72.02839 -69.46896 2.55943 1.96425 -69.53542 554.23298
5435.0000 -71.18960 -69.04679 2.14281 1.98904 -69.29605 590.07070
5440.0000 -71.71093 -69.29832 2.41261 2.00190 -69.17184 620.52274
5445.0000 -71.79327 -69.93843 1.85484 1.94128 -69.75711 545.28588
5450.0000 -71.89103 -69.84830 2.04274 1.91814 -69.98052 509.24417
5455.0000 -71.50707 -69.42951 2.07757 1.95942 -69.58202 576.45235
5460.0000 -70.98505 -68.70447 2.28058 1.99302 -69.25761 614.00896
5465.0000 -72.25742 -70.03729 2.22013 1.96299 -69.54753 597.18601
5470.0000 -71.98040 -69.71432 2.26608 1.91476 -70.01316 536.77661
5475.0000 -71.61483 -69.14031 2.47452 2.02146 -68.98303 684.05203
5480.0000 -71.08587 -68.24288 2.84299 2.05553 -68.65412 712.24988
5485.0000 -70.83199 -68.42925 2.40274 2.06308 -68.58114 698.27522
5490.0000 -71.97743 -69.31254 2.66489 2.01265 -69.06809 646.68708
5495.0000 -71.46584 -69.22548 2.24037 1.98076 -69.37599 616.92533
5500.0000 -72.45722 -70.63831 1.81891 1.93555 -69.81251 539.67639
FREEZING PROCESS: loop number 23 T-loop= 565.00000000000000
main_MD> interactions number 23 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.53339 -0.85153 1.32702
force_rgl> df(natom) -0.83973 1.31635 0.70926
5505.0000 -71.93661 -69.58080 2.35581 1.92059 -69.95690 542.77767
5510.0000 -71.49286 -69.37339 2.11947 1.93024 -69.86370 560.14274
5515.0000 -72.16121 -69.69479 2.46642 1.95438 -69.63068 596.38596
5520.0000 -72.09332 -69.58217 2.51115 1.93371 -69.83024 554.23151
5525.0000 -72.15528 -69.97575 2.17952 1.94657 -69.70605 580.34587
5530.0000 -72.11703 -69.92509 2.19195 1.91978 -69.96472 529.58011
5535.0000 -71.57387 -69.72193 1.85194 1.89485 -70.20539 496.81501
5540.0000 -71.78195 -69.74276 2.03918 1.95192 -69.65443 517.76264
5545.0000 -71.85160 -69.80113 2.05047 1.93836 -69.78534 559.48702
5550.0000 -71.77839 -69.52083 2.25756 1.95046 -69.66850 553.73384
5555.0000 -71.76606 -69.08208 2.68398 1.98388 -69.34587 575.02570
5560.0000 -70.82891 -69.03563 1.79328 1.97975 -69.38571 581.39982
5565.0000 -72.59471 -70.32387 2.27084 1.92588 -69.90584 540.00057
5570.0000 -72.53829 -70.37755 2.16074 1.89808 -70.17419 532.88624
5575.0000 -72.51376 -70.26801 2.24575 1.88427 -70.30755 497.42340
5580.0000 -71.88686 -69.46452 2.42233 1.91380 -70.02248 535.00997
5585.0000 -72.63984 -70.14492 2.49492 1.91802 -69.98167 552.88349
5590.0000 -72.22357 -69.79817 2.42540 1.90746 -70.08371 535.87633
5595.0000 -72.57289 -69.61372 2.95917 1.92755 -69.88968 588.21867
5600.0000 -71.85721 -69.86555 1.99166 1.98084 -69.37521 635.43148
5605.0000 -72.17119 -69.58242 2.58876 1.92711 -69.89396 544.97976
5610.0000 -71.47517 -69.24823 2.22694 1.97665 -69.41567 598.01248
5615.0000 -71.76319 -69.68201 2.08118 1.93090 -69.85734 548.68280
5620.0000 -71.95931 -69.64590 2.31341 1.95326 -69.64148 557.47128
5625.0000 -71.47785 -69.43116 2.04669 1.96794 -69.49979 594.06891
5630.0000 -72.00487 -69.89699 2.10788 1.94558 -69.71565 547.29710
5635.0000 -72.51329 -69.86049 2.65280 1.96266 -69.55076 567.95917
5640.0000 -72.29286 -69.64083 2.65203 1.94425 -69.72848 556.30355
5645.0000 -72.22426 -69.41694 2.80732 1.93701 -69.79835 563.81854
5650.0000 -72.41021 -69.72366 2.68654 1.95955 -69.58075 575.88202
5655.0000 -72.15684 -70.12258 2.03425 1.95095 -69.66380 589.74322
5660.0000 -72.39496 -70.50257 1.89239 1.90530 -70.10458 553.59728
5665.0000 -71.69510 -69.58858 2.10652 1.88889 -70.26297 492.86105
5670.0000 -71.55330 -69.10216 2.45114 1.96757 -69.50330 565.92057
5675.0000 -71.52370 -68.64092 2.88278 2.01490 -69.04638 626.42746
5680.0000 -72.78151 -70.36906 2.41245 1.96492 -69.52889 574.10675
5685.0000 -72.33221 -69.70665 2.62556 1.96202 -69.55691 576.32614
5690.0000 -72.59395 -70.56038 2.03357 1.89174 -70.23546 513.00013
5695.0000 -72.49442 -70.12584 2.36858 1.90268 -70.12982 527.02479
5700.0000 -72.69551 -70.42534 2.27017 1.89924 -70.16304 542.49446
5705.0000 -72.39975 -70.46134 1.93841 1.90749 -70.08343 539.51723
5710.0000 -72.59508 -70.42037 2.17471 1.89016 -70.25070 522.14037
5715.0000 -72.26201 -69.68195 2.58006 1.93189 -69.84783 559.85440
5720.0000 -72.16379 -70.25342 1.91037 1.89527 -70.20137 511.36714
5725.0000 -72.41132 -70.72192 1.68941 1.86032 -70.53885 498.82886
5730.0000 -72.31204 -69.94082 2.37122 1.86553 -70.48850 497.80495
5735.0000 -72.03967 -69.90763 2.13204 1.91782 -69.98366 532.98599
5740.0000 -71.91574 -69.87276 2.04297 1.91694 -69.99215 552.18035
5745.0000 -71.75451 -70.02375 1.73076 1.93068 -69.85947 532.22401
5750.0000 -72.20425 -70.04408 2.16017 1.92020 -69.96072 529.63680
FREEZING PROCESS: loop number 24 T-loop= 540.00000000000000
main_MD> interactions number 24 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66151 -1.86795 -1.44064
force_rgl> df(natom) 3.02283 -3.99670 -0.58260
5755.0000 -72.16457 -70.05542 2.10916 1.91551 -70.00596 537.77350
5760.0000 -72.00950 -70.38193 1.62757 1.89952 -70.16037 502.73411
5765.0000 -71.44714 -69.79777 1.64937 1.90534 -70.10416 514.22740
5770.0000 -71.80812 -69.27301 2.53511 1.95855 -69.59041 553.08002
5775.0000 -71.53214 -68.99279 2.53934 1.98396 -69.34510 593.76046
5780.0000 -71.03756 -68.76286 2.27470 2.00234 -69.16766 610.35218
5785.0000 -71.37515 -69.23882 2.13633 1.99912 -69.19868 572.29918
5790.0000 -71.11288 -69.03079 2.08209 1.97588 -69.42311 589.80959
5795.0000 -71.24580 -68.99160 2.25420 2.01855 -69.01115 604.02809
5800.0000 -71.82394 -69.49562 2.32832 1.98900 -69.29642 570.24896
5805.0000 -72.23845 -70.06393 2.17451 1.92328 -69.93091 566.57602
5810.0000 -71.88863 -69.30284 2.58579 1.98644 -69.32115 592.17665
5815.0000 -71.53035 -68.94008 2.59027 2.01779 -69.01844 626.11235
5820.0000 -71.61564 -69.11920 2.49643 2.00875 -69.10575 597.98709
5825.0000 -71.54779 -68.98968 2.55811 1.97437 -69.43767 562.08565
5830.0000 -71.94720 -69.59298 2.35422 1.97845 -69.39832 578.50264
5835.0000 -71.93536 -69.93000 2.00537 1.92733 -69.89185 524.89491
5840.0000 -71.91013 -70.01132 1.89881 1.94731 -69.69889 525.86112
5845.0000 -71.83611 -69.71490 2.12121 1.92477 -69.91658 533.50612
5850.0000 -71.71943 -69.57318 2.14625 1.93418 -69.82571 538.07715
5855.0000 -72.40807 -70.63059 1.77747 1.86504 -70.49320 443.67836
5860.0000 -72.07619 -70.17883 1.89735 1.87467 -70.40024 459.24272
5865.0000 -71.94612 -69.39596 2.55016 1.92275 -69.93609 503.02003
5870.0000 -72.21705 -70.05367 2.16339 1.96093 -69.56744 582.18052
5875.0000 -71.83665 -69.61076 2.22590 1.93636 -69.80469 573.11065
5880.0000 -72.01557 -69.49720 2.51837 1.92541 -69.91038 535.08093
5885.0000 -72.28981 -70.20586 2.08395 1.93247 -69.84217 546.06445
5890.0000 -71.79227 -69.39045 2.40181 1.94992 -69.67376 554.21913
5895.0000 -72.05897 -69.79439 2.26458 1.95269 -69.64697 560.91684
5900.0000 -71.81275 -69.41009 2.40265 1.94496 -69.72159 578.28604
5905.0000 -72.34540 -70.61707 1.72833 1.93314 -69.83576 570.67599
5910.0000 -72.00317 -69.57496 2.42821 1.92165 -69.94671 544.51153
5915.0000 -71.96409 -69.75309 2.21100 1.95039 -69.66924 597.14466
5920.0000 -72.19281 -69.89174 2.30106 1.95044 -69.66873 590.46004
5925.0000 -72.57834 -70.39660 2.18173 1.91070 -70.05240 546.49138
5930.0000 -71.95377 -69.89576 2.05800 1.91594 -70.00178 544.65799
5935.0000 -72.06687 -69.67649 2.39038 1.92047 -69.95803 539.02973
5940.0000 -71.67025 -70.10131 1.56894 1.92400 -69.92400 550.50843
5945.0000 -72.23781 -70.08116 2.15666 1.91113 -70.04825 537.48668
5950.0000 -71.33732 -69.39993 1.93738 1.97841 -69.39865 603.66155
5955.0000 -71.84862 -69.23198 2.61664 2.04653 -68.74096 655.29212
5960.0000 -71.73476 -69.17139 2.56337 1.99314 -69.25649 598.33469
5965.0000 -72.11554 -69.88655 2.22898 1.96810 -69.49821 573.75416
5970.0000 -71.97458 -70.10035 1.87423 1.90990 -70.06012 529.93051
5975.0000 -72.36481 -70.47207 1.89274 1.89765 -70.17841 520.74082
5980.0000 -72.31036 -70.48263 1.82772 1.88070 -70.34205 493.71248
5985.0000 -72.08385 -70.18843 1.89542 1.91216 -70.03833 530.30190
5990.0000 -72.08382 -69.93569 2.14813 1.92659 -69.89896 560.33618
5995.0000 -72.75043 -70.80249 1.94794 1.87875 -70.36084 513.74799
6000.0000 -72.56349 -70.52981 2.03368 1.84627 -70.67447 473.71298
FREEZING PROCESS: loop number 25 T-loop= 515.00000000000000
main_MD> interactions number 25 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.54151 -2.38512 -0.31360
force_rgl> df(natom) 2.45706 -1.71943 -2.99159
6005.0000 -72.00733 -70.59404 1.41329 1.85064 -70.63230 467.74669
6010.0000 -72.49373 -70.61075 1.88299 1.87175 -70.42847 494.69857
6015.0000 -72.17867 -70.32753 1.85114 1.85331 -70.60646 467.47932
6020.0000 -72.63192 -70.75024 1.88168 1.87891 -70.35937 511.21894
6025.0000 -72.63930 -70.55371 2.08559 1.86054 -70.53665 494.33185
6030.0000 -71.24039 -69.30181 1.93859 1.93321 -69.83505 534.63645
6035.0000 -72.17743 -70.10016 2.07727 1.93723 -69.79625 554.22616
6040.0000 -72.35896 -70.37316 1.98580 1.91876 -69.97456 537.02909
6045.0000 -73.08000 -70.50946 2.57054 1.88091 -70.34004 501.04506
6050.0000 -72.43916 -70.54156 1.89760 1.85334 -70.60617 481.68278
6055.0000 -72.69814 -71.14110 1.55704 1.83318 -70.80089 448.02625
6060.0000 -72.59249 -70.37540 2.21709 1.83950 -70.73981 456.64756
6065.0000 -72.18808 -70.70999 1.47810 1.85419 -70.59798 465.35441
6070.0000 -72.34628 -70.42590 1.92038 1.84871 -70.65088 472.86929
6075.0000 -72.06202 -69.82258 2.23944 1.90271 -70.12952 528.20648
6080.0000 -72.19440 -70.14851 2.04589 1.90781 -70.08032 548.83963
6085.0000 -72.01060 -70.04857 1.96203 1.86573 -70.48658 471.12942
6090.0000 -72.75953 -70.63821 2.12132 1.89434 -70.21033 510.86770
6095.0000 -72.16907 -70.08940 2.07967 1.85562 -70.58421 474.84865
6100.0000 -71.64008 -70.15006 1.49002 1.89213 -70.23172 511.91714
6105.0000 -72.53877 -70.57179 1.96698 1.86152 -70.52723 503.08643
6110.0000 -72.52953 -70.26726 2.26227 1.83376 -70.79521 466.81829
6115.0000 -73.09393 -71.12984 1.96409 1.84577 -70.67931 477.11866
6120.0000 -72.76692 -70.72521 2.04171 1.81357 -70.99021 448.41251
6125.0000 -72.28329 -69.85588 2.42741 1.89534 -70.20069 521.53505
6130.0000 -72.75336 -70.55397 2.19939 1.92121 -69.95096 562.95887
6135.0000 -72.10326 -70.23993 1.86333 1.86244 -70.51835 489.86305
6140.0000 -72.31867 -70.12266 2.19600 1.86397 -70.50357 508.79534
6145.0000 -72.65621 -70.78833 1.86789 1.86274 -70.51547 501.31053
6150.0000 -71.88814 -69.97099 1.91716 1.89004 -70.25190 527.73269
6155.0000 -72.06606 -69.56928 2.49677 1.92826 -69.88290 552.99902
6160.0000 -72.23941 -69.50674 2.73267 1.97580 -69.42387 608.26248
6165.0000 -71.90339 -69.91577 1.98761 1.97993 -69.38396 606.22477
6170.0000 -72.33890 -70.41110 1.92779 1.90319 -70.12492 529.01359
6175.0000 -72.75363 -70.95539 1.79824 1.85549 -70.58544 487.89845
6180.0000 -72.22869 -70.32603 1.90266 1.89384 -70.21522 527.87845
6185.0000 -72.13139 -70.38531 1.74608 1.89377 -70.21584 523.93974
6190.0000 -72.30349 -69.27545 3.02804 1.94380 -69.73286 560.22331
6195.0000 -71.94568 -69.65119 2.29448 1.95829 -69.59295 593.15574
6200.0000 -72.24298 -70.31692 1.92606 1.91069 -70.05251 524.73486
6205.0000 -70.75229 -68.73129 2.02099 1.93141 -69.85245 514.28362
6210.0000 -71.42595 -69.23257 2.19339 1.99709 -69.21831 582.37165
6215.0000 -71.04503 -68.96400 2.08103 2.02542 -68.94482 585.92191
6220.0000 -71.17741 -69.61210 1.56530 2.01131 -69.08106 603.21200
6225.0000 -71.42522 -69.39900 2.02622 1.98141 -69.36965 599.36328
6230.0000 -71.66332 -69.14059 2.52273 2.00429 -69.14882 639.93110
6235.0000 -72.12406 -69.38720 2.73686 1.97586 -69.42331 601.22943
6240.0000 -71.58298 -70.00113 1.58185 1.97103 -69.46987 549.21478
6245.0000 -72.06377 -69.95280 2.11098 1.92267 -69.93685 489.80903
6250.0000 -72.28474 -70.46052 1.82423 1.89248 -70.22834 491.75455
FREEZING PROCESS: loop number 26 T-loop= 490.00000000000000
main_MD> interactions number 26 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.27847 -0.94984 0.86670
force_rgl> df(natom) 1.20903 2.14844 1.26507
6255.0000 -72.42463 -70.70643 1.71820 1.87181 -70.42791 478.72995
6260.0000 -72.19417 -70.38554 1.80862 1.86435 -70.49989 492.06521
6265.0000 -72.49989 -70.26891 2.23098 1.90374 -70.11957 533.00218
6270.0000 -72.35101 -70.41456 1.93646 1.88923 -70.25967 500.90355
6275.0000 -72.67030 -71.09171 1.57859 1.83986 -70.73637 458.01882
6280.0000 -72.86205 -70.92718 1.93487 1.80678 -71.05575 435.53809
6285.0000 -72.31935 -70.23674 2.08261 1.84557 -70.68120 464.64670
6290.0000 -72.66310 -70.08167 2.58143 1.90579 -70.09976 531.41469
6295.0000 -72.65223 -70.27235 2.37988 1.87127 -70.43311 505.42166
6300.0000 -71.78331 -69.98786 1.79544 1.85258 -70.61350 466.25361
6305.0000 -72.65705 -70.50273 2.15432 1.90213 -70.13513 537.36810
6310.0000 -72.52108 -70.81684 1.70424 1.86116 -70.53072 487.92065
6315.0000 -72.06786 -70.13804 1.92982 1.85414 -70.59850 467.45336
6320.0000 -72.26286 -70.37737 1.88548 1.86918 -70.45330 497.87720
6325.0000 -72.58179 -70.55220 2.02959 1.84171 -70.71846 477.06588
6330.0000 -72.59743 -70.40414 2.19329 1.86514 -70.49223 492.67403
6335.0000 -72.49303 -70.73841 1.75462 1.86977 -70.44759 490.88480
6340.0000 -72.89485 -71.06814 1.82670 1.83230 -70.80933 438.26617
6345.0000 -72.31930 -70.15615 2.16315 1.82291 -70.90000 468.07949
6350.0000 -72.30582 -70.62011 1.68570 1.88818 -70.26982 509.13462
6355.0000 -72.57409 -71.27687 1.29722 1.81539 -70.97257 443.71215
6360.0000 -72.41630 -70.40738 2.00892 1.83364 -70.79636 477.33344
6365.0000 -72.42815 -70.65877 1.76938 1.87028 -70.44269 496.79551
6370.0000 -72.22143 -70.36242 1.85901 1.87364 -70.41024 495.46391
6375.0000 -72.78005 -71.21862 1.56143 1.80525 -71.07052 412.68001
6380.0000 -72.79935 -71.41069 1.38866 1.79323 -71.18660 407.34064
6385.0000 -72.67925 -70.81970 1.85955 1.79984 -71.12271 421.28275
6390.0000 -72.49050 -70.86501 1.62549 1.81939 -70.93396 454.18680
6395.0000 -72.08619 -70.37873 1.70745 1.84419 -70.69458 467.76413
6400.0000 -71.97133 -69.92526 2.04607 1.86851 -70.45971 497.58636
6405.0000 -72.18815 -70.22590 1.96225 1.88038 -70.34514 481.47700
6410.0000 -72.45870 -70.29590 2.16280 1.86637 -70.48038 500.93364
6415.0000 -72.83009 -71.18205 1.64804 1.84454 -70.69117 479.64744
6420.0000 -72.57904 -70.57579 2.00325 1.83053 -70.82640 433.47049
6425.0000 -72.59147 -70.31854 2.27294 1.85441 -70.59590 499.11382
6430.0000 -71.95717 -70.22375 1.73342 1.88261 -70.32357 527.22803
6435.0000 -72.36813 -70.33687 2.03126 1.87708 -70.37697 496.79771
6440.0000 -71.84475 -70.27941 1.56535 1.86988 -70.44655 502.01175
6445.0000 -72.05118 -70.38883 1.66236 1.87488 -70.39824 461.18817
6450.0000 -71.76952 -70.05072 1.71880 1.94304 -69.74012 536.18141
6455.0000 -72.03097 -69.91154 2.11943 1.91546 -70.00641 527.86841
6460.0000 -71.96655 -69.81344 2.15311 1.90656 -70.09234 547.63278
6465.0000 -72.00565 -69.88777 2.11788 1.91901 -69.97213 564.96257
6470.0000 -72.80144 -70.90778 1.89366 1.85773 -70.56379 452.29548
6475.0000 -72.05131 -69.84343 2.20788 1.87792 -70.36886 520.62880
6480.0000 -72.34155 -70.21951 2.12205 1.89823 -70.17276 541.49840
6485.0000 -72.08205 -70.11568 1.96638 1.88376 -70.31249 512.49856
6490.0000 -72.23467 -70.21153 2.02314 1.87370 -70.40965 505.95887
6495.0000 -72.48916 -69.80960 2.67956 1.92050 -69.95776 566.58360
6500.0000 -72.52217 -70.55572 1.96645 1.89532 -70.20089 554.94648
FREEZING PROCESS: loop number 27 T-loop= 465.00000000000000
main_MD> interactions number 27 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64919 1.00719 -0.21358
force_rgl> df(natom) 1.62389 1.87990 1.83709
6505.0000 -72.23730 -70.42717 1.81013 1.85580 -70.58243 480.57054
6510.0000 -72.60371 -71.01846 1.58525 1.83773 -70.75692 471.79295
6515.0000 -73.04500 -71.44242 1.60258 1.78241 -71.29099 414.32707
6520.0000 -73.03082 -70.94611 2.08471 1.78093 -71.30533 392.39262
6525.0000 -72.48388 -70.72900 1.75487 1.83837 -70.75075 463.68933
6530.0000 -72.47387 -70.20437 2.26950 1.85480 -70.59210 489.81319
6535.0000 -72.29151 -69.49911 2.79239 1.90594 -70.09831 543.99576
6540.0000 -71.95832 -69.79676 2.16156 1.94040 -69.76568 553.05692
6545.0000 -71.85927 -69.89709 1.96218 1.91962 -69.96625 550.72602
6550.0000 -72.03984 -69.94901 2.09083 1.92208 -69.94248 518.19348
6555.0000 -71.96243 -69.96862 1.99381 1.96243 -69.55290 595.89001
6560.0000 -72.52418 -70.68740 1.83677 1.88866 -70.26518 498.74595
6565.0000 -72.14132 -70.28723 1.85409 1.83981 -70.73683 441.71951
6570.0000 -71.85277 -69.90987 1.94290 1.91399 -70.02067 525.76036
6575.0000 -71.57003 -69.66460 1.90543 1.91045 -70.05482 513.75171
6580.0000 -72.42046 -70.55751 1.86294 1.91004 -70.05880 489.51408
6585.0000 -72.17225 -70.74284 1.42941 1.86499 -70.49368 460.35275
6590.0000 -72.73622 -70.88562 1.85060 1.85292 -70.61028 461.92404
6595.0000 -72.63848 -71.18438 1.45410 1.81279 -70.99771 429.19987
6600.0000 -72.47847 -70.83188 1.64659 1.82825 -70.84845 419.81167
6605.0000 -72.15686 -70.42089 1.73597 1.84456 -70.69095 449.15637
6610.0000 -72.73011 -71.08782 1.64229 1.83208 -70.81145 422.64920
6615.0000 -71.81805 -70.07430 1.74375 1.85804 -70.56080 442.62851
6620.0000 -72.32657 -70.63376 1.69281 1.86815 -70.46321 458.41197
6625.0000 -72.40029 -70.99780 1.40249 1.83853 -70.74922 431.56691
6630.0000 -72.87450 -71.31632 1.55818 1.79979 -71.12319 394.04464
6635.0000 -72.91662 -70.82513 2.09149 1.83813 -70.75308 468.23322
6640.0000 -72.23003 -70.11646 2.11357 1.87054 -70.44018 493.66375
6645.0000 -72.44661 -70.51968 1.92694 1.92053 -69.95753 544.81608
6650.0000 -72.27743 -70.11619 2.16124 1.88038 -70.34509 519.09532
6655.0000 -72.45321 -70.34977 2.10344 1.90527 -70.10484 532.21755
6660.0000 -72.74951 -70.50007 2.24944 1.87569 -70.39039 502.42423
6665.0000 -72.69214 -70.08954 2.60260 1.88651 -70.28596 533.98666
6670.0000 -72.10688 -70.28826 1.81862 1.88003 -70.34848 512.87583
6675.0000 -72.36355 -70.59354 1.77001 1.85125 -70.62641 488.49559
6680.0000 -72.45099 -70.89403 1.55696 1.83802 -70.75412 435.03674
6685.0000 -72.30642 -70.29906 2.00736 1.86585 -70.48543 445.72474
6690.0000 -72.30047 -70.29270 2.00777 1.86713 -70.47309 443.93618
6695.0000 -72.21323 -69.87740 2.33583 1.89618 -70.19257 483.78177
6700.0000 -71.74071 -70.02361 1.71710 1.92209 -69.94243 513.36940
6705.0000 -71.83228 -70.10524 1.72704 1.92469 -69.91736 533.13909
6710.0000 -72.61914 -70.22334 2.39580 1.89005 -70.25178 524.03358
6715.0000 -72.31664 -70.42469 1.89194 1.91273 -70.03282 554.86039
6720.0000 -72.48853 -70.12590 2.36262 1.87759 -70.37204 529.65729
6725.0000 -71.90240 -69.92894 1.97346 1.91787 -69.98319 561.95644
6730.0000 -72.55631 -70.96780 1.58851 1.87729 -70.37496 517.34129
6735.0000 -72.85776 -71.41841 1.43935 1.80833 -71.04073 429.30473
6740.0000 -72.77822 -71.09488 1.68334 1.81490 -70.97738 447.70647
6745.0000 -72.05276 -70.65793 1.39483 1.81571 -70.96955 421.85048
6750.0000 -72.71754 -71.14725 1.57029 1.80546 -71.06846 419.46936
FREEZING PROCESS: loop number 28 T-loop= 440.00000000000000
main_MD> interactions number 28 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26424 0.17489 -0.22973
force_rgl> df(natom) 0.43400 0.94260 0.13827
6755.0000 -73.01445 -71.18453 1.82992 1.79253 -71.19329 415.42632
6760.0000 -72.76828 -71.38985 1.37842 1.77810 -71.33259 396.36712
6765.0000 -72.65458 -71.02563 1.62895 1.79061 -71.21185 409.07452
6770.0000 -73.03341 -71.70470 1.32871 1.76383 -71.47037 386.77568
6775.0000 -72.84084 -71.25554 1.58530 1.78988 -71.21886 406.94604
6780.0000 -72.20467 -70.28765 1.91702 1.83105 -70.82143 435.54781
6785.0000 -72.69361 -71.11539 1.57823 1.85567 -70.58370 480.99084
6790.0000 -72.50778 -70.85753 1.65025 1.81815 -70.94600 425.99422
6795.0000 -73.03228 -71.14460 1.88767 1.81701 -70.95697 433.41277
6800.0000 -72.42087 -71.15634 1.26453 1.79770 -71.14343 431.26868
6805.0000 -72.95940 -71.62135 1.33805 1.75682 -71.53810 385.46519
6810.0000 -72.24639 -70.95526 1.29113 1.76577 -71.45165 389.71015
6815.0000 -72.69057 -71.36259 1.32798 1.79062 -71.21173 421.82973
6820.0000 -73.15044 -71.58637 1.56407 1.77773 -71.33620 404.44212
6825.0000 -72.79836 -71.43185 1.36650 1.74653 -71.63744 374.23546
6830.0000 -72.72461 -71.23081 1.49380 1.79510 -71.16852 426.52138
6835.0000 -72.55427 -70.76419 1.79008 1.79599 -71.15992 421.68747
6840.0000 -72.49778 -70.96823 1.52955 1.82656 -70.86471 451.75846
6845.0000 -72.80025 -71.30390 1.49636 1.81171 -71.00810 442.58484
6850.0000 -72.64140 -70.48738 2.15403 1.83624 -70.77131 474.41514
6855.0000 -72.52650 -70.76166 1.76484 1.83989 -70.73610 455.70053
6860.0000 -72.87822 -70.37062 2.50760 1.85082 -70.63056 461.75796
6865.0000 -72.06925 -70.06028 2.00898 1.86647 -70.47940 495.61323
6870.0000 -72.74976 -70.68405 2.06570 1.86754 -70.46912 489.77048
6875.0000 -72.54528 -70.88487 1.66041 1.82344 -70.89488 457.37131
6880.0000 -72.73194 -70.75294 1.97900 1.85811 -70.56012 470.40107
6885.0000 -73.08871 -71.31832 1.77039 1.80297 -71.09248 432.76290
6890.0000 -72.71535 -71.07787 1.63747 1.77699 -71.34335 404.39620
6895.0000 -72.26103 -70.67769 1.58335 1.83813 -70.75306 474.01918
6900.0000 -73.03697 -71.60440 1.43258 1.79327 -71.18615 421.47897
6905.0000 -73.16262 -71.70010 1.46252 1.76270 -71.48131 390.86763
6910.0000 -72.85501 -71.48900 1.36601 1.74668 -71.63596 365.25333
6915.0000 -72.69244 -70.94334 1.74910 1.77706 -71.34271 400.10754
6920.0000 -73.35606 -71.86949 1.48656 1.75263 -71.57853 372.63080
6925.0000 -72.21334 -70.90870 1.30464 1.78542 -71.26192 414.78719
6930.0000 -72.35609 -70.58428 1.77181 1.84273 -70.70863 479.79063
6935.0000 -72.77281 -70.29218 2.48063 1.85590 -70.58146 499.99702
6940.0000 -72.87640 -71.25608 1.62032 1.82914 -70.83987 467.54251
6945.0000 -72.85867 -71.29508 1.56359 1.80166 -71.10515 419.00411
6950.0000 -72.85022 -71.26401 1.58621 1.77404 -71.37184 386.51515
6955.0000 -71.85620 -70.65538 1.20082 1.81463 -70.97998 437.15141
6960.0000 -72.68024 -71.07763 1.60261 1.80337 -71.08867 433.56097
6965.0000 -72.22764 -70.83577 1.39187 1.84588 -70.67827 479.14215
6970.0000 -72.41576 -70.90288 1.51288 1.82819 -70.84903 448.99136
6975.0000 -72.66428 -70.98514 1.67914 1.81729 -70.95428 430.89964
6980.0000 -72.48649 -70.92562 1.56088 1.83006 -70.83098 453.20252
6985.0000 -72.13361 -70.28648 1.84714 1.85230 -70.61622 468.63030
6990.0000 -72.70378 -71.20112 1.50266 1.84754 -70.66224 473.05275
6995.0000 -72.69691 -71.16999 1.52692 1.80917 -71.03262 442.81520
7000.0000 -72.65884 -71.37989 1.27895 1.74761 -71.62704 370.97112
FREEZING PROCESS: loop number 29 T-loop= 415.00000000000000
main_MD> interactions number 29 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.62492 0.74412 -0.93972
force_rgl> df(natom) 0.86588 -0.23519 0.17655
7005.0000 -73.00663 -71.38685 1.61978 1.77266 -71.38517 397.69776
7010.0000 -72.59679 -70.61279 1.98400 1.82773 -70.85346 459.95979
7015.0000 -72.75946 -70.72820 2.03125 1.82578 -70.87229 450.09806
7020.0000 -72.93571 -71.22675 1.70895 1.80891 -71.03513 436.29467
7025.0000 -73.59722 -72.27336 1.32386 1.74974 -71.60649 380.37404
7030.0000 -72.63272 -71.38957 1.24314 1.73695 -71.72995 345.14064
7035.0000 -72.93123 -71.15543 1.77580 1.78825 -71.23464 417.72267
7040.0000 -72.68780 -71.02581 1.66199 1.79401 -71.17903 408.92714
7045.0000 -72.60027 -71.07472 1.52555 1.79639 -71.15601 414.93898
7050.0000 -72.64397 -71.37773 1.26624 1.79366 -71.18236 397.88239
7055.0000 -73.10004 -71.68874 1.41130 1.73111 -71.78629 347.39209
7060.0000 -73.16071 -71.35007 1.81063 1.75535 -71.55226 383.31992
7065.0000 -72.96559 -71.44034 1.52525 1.78749 -71.24194 422.10430
7070.0000 -72.81415 -71.58100 1.23316 1.76325 -71.47605 384.07118
7075.0000 -72.98093 -71.35928 1.62165 1.76400 -71.46876 400.53087
7080.0000 -72.91797 -71.33163 1.58634 1.77063 -71.40477 393.15588
7085.0000 -73.06886 -71.84993 1.21893 1.73974 -71.70304 354.14154
7090.0000 -73.23829 -71.62647 1.61182 1.74343 -71.66732 362.04647
7095.0000 -72.84678 -70.89639 1.95039 1.78464 -71.26949 404.05567
7100.0000 -72.97989 -71.27044 1.70945 1.80814 -71.04257 427.86112
7105.0000 -72.94278 -71.21751 1.72527 1.77071 -71.40397 392.33411
7110.0000 -72.20776 -70.76354 1.44422 1.82418 -70.88776 450.91082
7115.0000 -73.12276 -71.59311 1.52964 1.78747 -71.24216 409.29492
7120.0000 -72.96525 -71.51893 1.44632 1.77331 -71.37891 393.67494
7125.0000 -72.39077 -70.49076 1.90001 1.81790 -70.94840 443.86719
7130.0000 -72.97199 -71.53954 1.43245 1.81109 -71.01407 431.85581
7135.0000 -72.93421 -71.20201 1.73220 1.75110 -71.59329 369.97253
7140.0000 -72.38986 -70.89830 1.49156 1.79220 -71.19654 421.72777
7145.0000 -73.28125 -71.54902 1.73222 1.76027 -71.50473 383.94782
7150.0000 -72.58051 -70.90542 1.67510 1.77436 -71.36877 407.40432
7155.0000 -72.61781 -70.88918 1.72863 1.80157 -71.10602 425.02112
7160.0000 -73.13753 -71.35847 1.77906 1.82689 -70.86158 449.50561
7165.0000 -72.96486 -71.53575 1.42911 1.77505 -71.36208 399.26063
7170.0000 -72.78912 -71.02002 1.76911 1.78848 -71.23238 406.31973
7175.0000 -72.33120 -70.61248 1.71872 1.83731 -70.76092 476.27085
7180.0000 -73.12118 -70.99161 2.12957 1.81538 -70.97270 456.01550
7185.0000 -72.62803 -70.95912 1.66891 1.82110 -70.91748 444.38329
7190.0000 -72.93511 -71.50110 1.43401 1.79541 -71.16555 416.85190
7195.0000 -72.19370 -70.44699 1.74671 1.78485 -71.26748 399.57222
7200.0000 -73.20920 -71.19586 2.01333 1.76858 -71.42459 391.26671
7205.0000 -72.91084 -71.17011 1.74072 1.80221 -71.09985 442.16762
7210.0000 -72.84550 -71.16469 1.68081 1.79149 -71.20332 425.56200
7215.0000 -73.33458 -71.81014 1.52444 1.76690 -71.44078 412.32488
7220.0000 -73.01270 -71.39889 1.61381 1.74111 -71.68978 369.67193
7225.0000 -72.68462 -71.27064 1.41399 1.78123 -71.30243 415.08235
7230.0000 -73.38497 -71.77307 1.61190 1.76860 -71.42436 388.24900
7235.0000 -72.83996 -71.34950 1.49046 1.74734 -71.62962 368.72595
7240.0000 -73.22637 -71.50714 1.71923 1.78289 -71.28637 417.13377
7245.0000 -72.87475 -71.35306 1.52169 1.76588 -71.45061 381.30361
7250.0000 -73.03149 -71.39141 1.64008 1.78310 -71.28434 404.43432
FREEZING PROCESS: loop number 30 T-loop= 390.00000000000000
main_MD> interactions number 30 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.17650 -0.37941 -0.30419
force_rgl> df(natom) -2.05173 0.17142 0.79271
7255.0000 -73.16949 -71.62014 1.54935 1.76641 -71.44546 405.51406
7260.0000 -73.18830 -71.66978 1.51853 1.74276 -71.67387 380.42688
7265.0000 -73.13767 -71.58965 1.54802 1.73506 -71.74817 341.22763
7270.0000 -72.39869 -70.88710 1.51159 1.79521 -71.16747 413.99915
7275.0000 -72.67301 -71.47631 1.19669 1.80532 -71.06982 427.95223
7280.0000 -72.80196 -71.33424 1.46772 1.77450 -71.36735 395.55145
7285.0000 -73.23515 -71.56373 1.67142 1.75585 -71.54744 373.89410
7290.0000 -73.29122 -71.43792 1.85330 1.79532 -71.16634 386.91465
7295.0000 -72.79853 -71.04670 1.75183 1.78499 -71.26610 376.64173
7300.0000 -72.62945 -71.05577 1.57368 1.79255 -71.19313 402.21749
7305.0000 -72.82467 -71.38692 1.43775 1.79280 -71.19072 392.28139
7310.0000 -72.77955 -71.41881 1.36074 1.79988 -71.12235 400.88281
7315.0000 -73.11207 -71.38527 1.72679 1.77334 -71.37861 384.22119
7320.0000 -72.81194 -71.29484 1.51710 1.77344 -71.37763 375.30229
7325.0000 -72.97862 -71.65200 1.32662 1.76252 -71.48303 366.16805
7330.0000 -73.11447 -71.50752 1.60695 1.73541 -71.74479 351.48511
7335.0000 -73.08587 -71.19674 1.88912 1.79287 -71.19004 398.44418
7340.0000 -72.70469 -70.68275 2.02193 1.78042 -71.31021 396.68823
7345.0000 -72.41240 -70.88738 1.52502 1.83230 -70.80931 451.31105
7350.0000 -73.02055 -71.76968 1.25087 1.74351 -71.66660 342.11633
7355.0000 -72.59153 -71.11364 1.47789 1.75723 -71.53408 351.65711
7360.0000 -72.76596 -71.28957 1.47639 1.78345 -71.28100 398.00156
7365.0000 -72.72272 -71.40036 1.32237 1.78643 -71.25223 389.08837
7370.0000 -72.71639 -71.47828 1.23811 1.76348 -71.47381 359.86250
7375.0000 -72.81049 -71.39366 1.41683 1.78704 -71.24631 382.97466
7380.0000 -72.58311 -70.90565 1.67747 1.77683 -71.34485 387.64764
7385.0000 -72.55772 -71.42768 1.13004 1.79611 -71.15871 418.69677
7390.0000 -72.84238 -71.24774 1.59465 1.77241 -71.38752 391.00804
7395.0000 -72.60464 -71.27815 1.32649 1.78960 -71.22160 392.29457
7400.0000 -72.77152 -71.16822 1.60329 1.80150 -71.10670 390.21577
7405.0000 -72.63222 -70.91426 1.71796 1.80188 -71.10302 404.00450
7410.0000 -72.94363 -71.39173 1.55190 1.77853 -71.32848 383.61330
7415.0000 -72.18185 -71.01142 1.17043 1.77062 -71.40482 377.56440
7420.0000 -72.98512 -71.51439 1.47073 1.78341 -71.28140 379.82067
7425.0000 -73.11690 -71.63184 1.48506 1.75905 -71.51653 348.11019
7430.0000 -72.70163 -71.20569 1.49594 1.78748 -71.24210 387.89451
7435.0000 -72.91014 -71.34517 1.56497 1.76863 -71.42409 360.54147
7440.0000 -72.57427 -71.39539 1.17888 1.78133 -71.30143 389.84300
7445.0000 -72.82017 -71.41573 1.40443 1.75677 -71.53853 356.26607
7450.0000 -72.77922 -71.77669 1.00253 1.75934 -71.51373 337.91830
7455.0000 -73.30384 -71.90426 1.39958 1.75771 -71.52947 344.80696
7460.0000 -72.42412 -70.84636 1.57777 1.79344 -71.18454 401.67578
7465.0000 -72.71660 -71.35539 1.36120 1.78347 -71.28083 381.39130
7470.0000 -72.96595 -71.34968 1.61627 1.76828 -71.42740 362.72155
7475.0000 -72.61155 -71.29612 1.31544 1.79877 -71.13310 403.44146
7480.0000 -72.74264 -70.61980 2.12284 1.81073 -71.01756 395.13281
7485.0000 -72.38812 -71.07723 1.31089 1.82437 -70.88590 417.16000
7490.0000 -72.72636 -71.17036 1.55601 1.79901 -71.13072 390.41507
7495.0000 -72.51498 -71.07276 1.44222 1.81944 -70.93353 418.52383
7500.0000 -72.79116 -71.38764 1.40352 1.77149 -71.39642 362.62825
FREEZING PROCESS: loop number 31 T-loop= 365.00000000000000
main_MD> interactions number 31 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81025 2.18096 -0.04759
force_rgl> df(natom) 0.53977 0.09290 -1.42481
7505.0000 -72.70910 -71.24766 1.46144 1.79681 -71.15203 393.05569
7510.0000 -72.50061 -70.76730 1.73331 1.81627 -70.96415 405.35234
7515.0000 -72.31728 -71.13970 1.17758 1.81372 -70.98872 411.47676
7520.0000 -72.60961 -70.94608 1.66353 1.80426 -71.08010 390.21329
7525.0000 -72.81393 -71.28487 1.52906 1.79403 -71.17884 385.35983
7530.0000 -73.20117 -72.18104 1.02013 1.72459 -71.84929 326.10933
7535.0000 -72.80078 -71.14401 1.65677 1.75902 -71.51685 374.49403
7540.0000 -72.71901 -71.15884 1.56017 1.80324 -71.08986 425.50118
7545.0000 -73.07753 -71.70271 1.37482 1.76135 -71.49439 375.82671
7550.0000 -72.64571 -71.49833 1.14738 1.76410 -71.46778 369.38712
7555.0000 -72.71485 -71.15391 1.56094 1.76487 -71.46033 351.57285
7560.0000 -72.72618 -71.54879 1.17739 1.77640 -71.34905 358.36734
7565.0000 -72.89966 -71.44050 1.45916 1.78298 -71.28552 394.12601
7570.0000 -73.26934 -72.06606 1.20328 1.73363 -71.76202 356.15857
7575.0000 -73.01476 -71.95965 1.05511 1.68737 -72.20864 300.42860
7580.0000 -73.17944 -72.02940 1.15004 1.72418 -71.85326 332.15905
7585.0000 -73.19001 -71.46860 1.72141 1.75954 -71.51178 382.46012
7590.0000 -73.11783 -71.37631 1.74153 1.77100 -71.40114 389.60333
7595.0000 -72.98671 -71.37138 1.61533 1.77240 -71.38766 391.95905
7600.0000 -72.86371 -71.37320 1.49051 1.75534 -71.55234 364.58748
7605.0000 -72.66244 -71.29925 1.36318 1.76105 -71.49727 375.23059
7610.0000 -72.60921 -71.14829 1.46092 1.77298 -71.38205 382.87099
7615.0000 -72.85317 -71.25573 1.59743 1.80052 -71.11622 426.26799
7620.0000 -72.96319 -71.22981 1.73338 1.78887 -71.22863 415.60484
7625.0000 -73.45888 -72.12413 1.33475 1.73792 -71.72058 366.73298
7630.0000 -73.30807 -71.97053 1.33754 1.72668 -71.82905 352.82835
7635.0000 -73.15478 -71.98423 1.17055 1.72225 -71.87182 351.85495
7640.0000 -73.36029 -72.11757 1.24271 1.70552 -72.03334 329.16122
7645.0000 -73.42668 -72.19878 1.22790 1.69483 -72.13660 323.66797
7650.0000 -73.29693 -72.05803 1.23890 1.73778 -71.72191 361.38209
7655.0000 -73.33404 -71.76357 1.57047 1.73219 -71.77590 357.67640
7660.0000 -73.21651 -72.05790 1.15862 1.70641 -72.02477 328.66681
7665.0000 -73.03709 -71.57441 1.46267 1.73772 -71.72245 366.40438
7670.0000 -72.57574 -71.15906 1.41667 1.75181 -71.58642 364.98867
7675.0000 -72.72272 -71.11610 1.60662 1.82059 -70.92244 436.51269
7680.0000 -73.19363 -71.19699 1.99665 1.77926 -71.32145 409.89002
7685.0000 -73.02295 -70.93413 2.08882 1.79990 -71.12214 431.08162
7690.0000 -73.18251 -71.95184 1.23068 1.75141 -71.59028 369.77154
7695.0000 -73.61395 -72.44384 1.17011 1.68328 -72.24808 299.26476
7700.0000 -73.24414 -71.90227 1.34187 1.67573 -72.32105 289.86777
7705.0000 -72.51964 -71.33663 1.18300 1.73987 -71.70172 359.48539
7710.0000 -72.72740 -71.12763 1.59977 1.77729 -71.34048 401.98844
7715.0000 -72.74221 -71.77468 0.96752 1.76062 -71.50138 385.73116
7720.0000 -73.14665 -71.72839 1.41826 1.74369 -71.66484 366.56574
7725.0000 -73.61875 -71.93553 1.68322 1.73843 -71.71561 364.80399
7730.0000 -73.36384 -72.00297 1.36088 1.72086 -71.88527 330.12043
7735.0000 -73.19614 -71.93479 1.26135 1.70408 -72.04733 327.49443
7740.0000 -73.24734 -71.79820 1.44914 1.71807 -71.91220 344.31425
7745.0000 -73.11048 -71.53972 1.57076 1.73893 -71.71084 365.20082
7750.0000 -72.70603 -71.07528 1.63075 1.74454 -71.65669 372.87667
FREEZING PROCESS: loop number 32 T-loop= 340.00000000000000
main_MD> interactions number 32 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20642 1.75036 -0.28539
force_rgl> df(natom) 0.88353 -4.91201 -1.76208
7755.0000 -72.93893 -71.42334 1.51560 1.78336 -71.28182 398.31052
7760.0000 -73.41845 -71.60651 1.81194 1.75505 -71.55514 378.21871
7765.0000 -73.00472 -71.72861 1.27611 1.74147 -71.68629 356.15130
7770.0000 -72.84111 -71.37893 1.46218 1.74743 -71.62875 348.33164
7775.0000 -72.51826 -71.47174 1.04652 1.78755 -71.24137 376.01280
7780.0000 -73.12277 -71.61615 1.50662 1.75693 -71.53705 323.44967
7785.0000 -73.05210 -71.85451 1.19759 1.74399 -71.66197 351.61169
7790.0000 -73.13267 -71.70285 1.42983 1.73515 -71.74726 339.57959
7795.0000 -72.74550 -71.50640 1.23910 1.75178 -71.58677 360.02301
7800.0000 -72.84980 -71.52105 1.32875 1.73215 -71.77628 327.49412
7805.0000 -73.21910 -71.99782 1.22128 1.73734 -71.72618 327.55025
7810.0000 -73.20459 -71.67596 1.52864 1.72705 -71.82555 326.11891
7815.0000 -73.03539 -71.87353 1.16186 1.72477 -71.84748 325.45188
7820.0000 -72.77019 -71.61118 1.15901 1.71770 -71.91579 321.82378
7825.0000 -73.35878 -71.87989 1.47889 1.70653 -72.02360 305.93753
7830.0000 -73.17520 -71.53087 1.64433 1.74130 -71.68797 339.75233
7835.0000 -73.21915 -71.65298 1.56617 1.73720 -71.72756 334.69158
7840.0000 -73.13628 -71.88415 1.25213 1.76834 -71.42682 374.82597
7845.0000 -73.36288 -72.39838 0.96451 1.69648 -72.12070 301.85119
7850.0000 -72.99762 -72.06339 0.93423 1.67510 -72.32711 265.48484
7855.0000 -73.16861 -71.73077 1.43784 1.72545 -71.84099 328.61914
7860.0000 -72.92210 -71.33234 1.58977 1.77090 -71.40210 382.05523
7865.0000 -72.67304 -71.14759 1.52545 1.78577 -71.25860 413.05301
7870.0000 -73.09462 -71.75041 1.34421 1.76291 -71.47929 367.03928
7875.0000 -73.14795 -71.77568 1.37227 1.73525 -71.74637 341.91220
7880.0000 -73.33958 -72.17085 1.16874 1.70729 -72.01632 311.65354
7885.0000 -73.16557 -72.16355 1.00202 1.72001 -71.89350 316.15748
7890.0000 -73.15269 -72.08380 1.06888 1.70032 -72.08361 295.67216
7895.0000 -73.28070 -72.19830 1.08240 1.69089 -72.17465 286.65747
7900.0000 -73.09967 -71.90542 1.19425 1.70329 -72.05492 301.89079
7905.0000 -73.02575 -71.77773 1.24802 1.72145 -71.87957 317.82556
7910.0000 -72.56761 -71.38028 1.18733 1.73682 -71.73118 336.46803
7915.0000 -72.78005 -71.40386 1.37620 1.75006 -71.60336 351.43859
7920.0000 -73.11348 -71.82715 1.28633 1.74550 -71.64735 354.66785
7925.0000 -72.80790 -71.50982 1.29808 1.73211 -71.77671 353.68882
7930.0000 -73.09886 -71.87642 1.22244 1.73447 -71.75389 350.78391
7935.0000 -73.17189 -71.73771 1.43418 1.72703 -71.82568 351.31190
7940.0000 -73.23015 -71.82451 1.40564 1.72706 -71.82546 337.78700
7945.0000 -72.98352 -71.96084 1.02268 1.72311 -71.86352 341.97021
7950.0000 -73.22093 -72.01259 1.20834 1.69940 -72.09251 318.33952
7955.0000 -73.20685 -71.88806 1.31880 1.71776 -71.91523 338.59943
7960.0000 -73.34577 -72.29534 1.05043 1.70933 -71.99657 320.77965
7965.0000 -73.44882 -72.24957 1.19926 1.69600 -72.12525 304.65846
7970.0000 -73.40732 -72.28974 1.11757 1.69206 -72.16330 302.29618
7975.0000 -72.80388 -71.78048 1.02340 1.71549 -71.93714 323.85079
7980.0000 -73.12923 -71.73806 1.39117 1.73685 -71.73091 352.40057
7985.0000 -73.16515 -71.92276 1.24238 1.70691 -72.01994 314.75176
7990.0000 -73.04346 -71.60215 1.44131 1.72655 -71.83032 337.51951
7995.0000 -73.14834 -71.93191 1.21643 1.72425 -71.85257 336.48427
8000.0000 -73.24787 -71.57836 1.66950 1.73900 -71.71015 350.34382
FREEZING PROCESS: loop number 33 T-loop= 315.00000000000000
main_MD> interactions number 33 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40349 -0.98247 1.30064
force_rgl> df(natom) 0.50689 -0.46431 1.69652
8005.0000 -73.57613 -72.35557 1.22056 1.69772 -72.10871 307.59159
8010.0000 -72.88565 -71.64546 1.24019 1.70698 -72.01927 304.38383
8015.0000 -73.00514 -71.85758 1.14756 1.73305 -71.76757 356.08517
8020.0000 -73.24336 -72.07560 1.16776 1.71145 -71.97612 322.20415
8025.0000 -73.16179 -72.00093 1.16085 1.71304 -71.96081 327.24023
8030.0000 -72.88961 -71.90644 0.98317 1.72161 -71.87800 338.84618
8035.0000 -73.42018 -72.24356 1.17662 1.70343 -72.05359 326.10798
8040.0000 -73.23542 -72.09440 1.14102 1.67513 -72.32681 296.48275
8045.0000 -73.35633 -72.07916 1.27717 1.69144 -72.16937 310.07410
8050.0000 -73.04760 -71.80711 1.24049 1.68969 -72.18623 306.94578
8055.0000 -73.19693 -71.88113 1.31581 1.71763 -71.91648 336.19869
8060.0000 -73.29418 -72.10401 1.19017 1.70143 -72.07283 314.70169
8065.0000 -73.20916 -72.12522 1.08394 1.69338 -72.15064 290.94891
8070.0000 -73.50672 -72.27363 1.23309 1.69597 -72.12558 312.31173
8075.0000 -73.49777 -72.28020 1.21758 1.69342 -72.15017 302.97117
8080.0000 -73.07238 -72.08971 0.98268 1.71552 -71.93687 320.94261
8085.0000 -73.77041 -72.56726 1.20315 1.67316 -72.34586 287.16686
8090.0000 -73.32880 -72.25235 1.07645 1.68025 -72.27740 291.86384
8095.0000 -73.17657 -72.12253 1.05404 1.67387 -72.33895 274.69771
8100.0000 -72.89698 -71.56409 1.33289 1.73042 -71.79296 334.38239
8105.0000 -73.39132 -72.17581 1.21551 1.72871 -71.80949 331.44315
8110.0000 -72.96620 -71.86577 1.10043 1.71849 -71.90819 317.31565
8115.0000 -73.13971 -72.06864 1.07108 1.69665 -72.11903 289.25670
8120.0000 -73.20034 -71.94569 1.25466 1.70274 -72.06021 303.29157
8125.0000 -73.05722 -71.70939 1.34783 1.73171 -71.78053 339.40490
8130.0000 -73.13436 -71.80229 1.33207 1.71279 -71.96320 315.99872
8135.0000 -73.62651 -72.57139 1.05512 1.68582 -72.22358 294.48869
8140.0000 -73.30308 -72.41248 0.89060 1.64996 -72.56981 259.33018
8145.0000 -73.45761 -72.42217 1.03544 1.66972 -72.37901 288.81882
8150.0000 -73.64981 -72.75071 0.89910 1.65824 -72.48991 256.40876
8155.0000 -73.47327 -72.38199 1.09128 1.65026 -72.56689 249.78856
8160.0000 -73.60934 -72.43012 1.17921 1.68419 -72.23931 299.74942
8165.0000 -73.39355 -72.11282 1.28073 1.69306 -72.15373 313.55097
8170.0000 -73.44516 -72.37872 1.06644 1.68252 -72.25545 302.98930
8175.0000 -73.50212 -72.24375 1.25837 1.67731 -72.30573 298.92979
8180.0000 -73.25703 -72.00226 1.25477 1.70412 -72.04688 329.51164
8185.0000 -73.59587 -72.37905 1.21681 1.69522 -72.13281 309.36567
8190.0000 -73.44093 -72.39444 1.04649 1.68631 -72.21883 308.80683
8195.0000 -73.74839 -72.73364 1.01476 1.66369 -72.43725 276.65336
8200.0000 -73.21958 -71.86263 1.35694 1.68478 -72.23359 299.24006
8205.0000 -73.16577 -72.02075 1.14502 1.70492 -72.03917 312.14265
8210.0000 -73.03781 -72.07076 0.96705 1.70141 -72.07309 310.23922
8215.0000 -72.99510 -71.70475 1.29036 1.73228 -71.77502 336.70726
8220.0000 -72.86995 -71.64999 1.21995 1.73568 -71.74216 351.50554
8225.0000 -73.26100 -71.68270 1.57830 1.76368 -71.47189 392.63489
8230.0000 -73.48323 -72.32123 1.16200 1.71015 -71.98864 328.69415
8235.0000 -73.28820 -71.63010 1.65809 1.73066 -71.79070 354.92913
8240.0000 -73.48039 -72.30447 1.17592 1.71459 -71.94578 336.67079
8245.0000 -73.52155 -72.39231 1.12925 1.67191 -72.35789 282.73635
8250.0000 -73.16694 -71.89674 1.27020 1.69302 -72.15405 305.21561
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 19.9883195 [s].
main_MD> Deallocating global variables
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