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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_22/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_22.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 = 22 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: 22 2200
main_MD> Size of nv and nvoiz: 22 2200
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 = 22
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> -5.3557572274387670E-002 -1.5163501835371174E-002 1.1571842686035051E-002 initial drift of cluster / NP1 for coalescence
init> 0.35115291440564217 0.37729687927625960 0.26943913367529954 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6155064494436903E-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) 2.95164 0.48320 2.46537
force_rgl> df(natom) 3.23921 1.79217 0.10156
preparo> THERMALIZATION PROCESS AT 1131.6259344896650
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -43.762484151434442 4.9442506464414651 -48.706734797875910 6.1585937208099477E-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= 1109.0000000000000
main_MD> interactions number 1 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.59206 -0.19428 0.35765
force_rgl> df(natom) 2.35020 0.96961 -0.74678
5.0000 -48.54393 -45.94089 2.60304 2.53313 -45.01130 1169.66016
10.0000 -49.81208 -46.82828 2.98380 2.44014 -45.74141 1151.29646
15.0000 -49.07745 -45.63001 3.44744 2.41736 -45.92028 1053.41257
20.0000 -48.50918 -45.34054 3.16864 2.48335 -45.40217 1166.80102
25.0000 -49.10430 -46.30876 2.79554 2.43229 -45.80310 1141.38339
30.0000 -48.97715 -46.33225 2.64490 2.20797 -47.56430 930.54789
35.0000 -49.76083 -46.51008 3.25075 2.36805 -46.30747 1098.25666
40.0000 -48.82855 -46.14056 2.68799 2.36946 -46.29638 1082.21456
45.0000 -49.75620 -46.99985 2.75634 2.39670 -46.08252 1070.83922
50.0000 -48.30977 -45.07022 3.23955 2.36128 -46.36057 1075.45787
55.0000 -49.56673 -45.92009 3.64664 2.58049 -44.63946 1346.75960
60.0000 -48.67072 -45.96465 2.70607 2.38598 -46.16664 1021.40694
65.0000 -48.77297 -44.93188 3.84109 2.53797 -44.97334 1198.89516
70.0000 -48.81385 -45.49641 3.31744 2.46736 -45.52769 1150.81758
75.0000 -49.16226 -46.54646 2.61580 2.48354 -45.40068 1229.75288
80.0000 -50.27481 -46.42884 3.84596 2.37462 -46.25584 1097.04634
85.0000 -49.37429 -46.43041 2.94387 2.32105 -46.67642 965.78140
90.0000 -49.48597 -46.58228 2.90369 2.28496 -46.95983 1003.78199
95.0000 -49.07393 -45.40617 3.66776 2.34887 -46.45802 1057.03019
100.0000 -48.82074 -45.55014 3.27060 2.44646 -45.69182 1242.40998
105.0000 -48.72094 -44.84445 3.87649 2.45575 -45.61889 1161.89014
110.0000 -49.73778 -45.83156 3.90622 2.48970 -45.35230 1149.64702
115.0000 -49.87601 -46.29261 3.58339 2.36000 -46.37066 1078.59767
120.0000 -49.17396 -46.51807 2.65589 2.28076 -46.99281 1012.16458
125.0000 -49.56545 -46.08530 3.48014 2.39563 -46.09093 1052.10061
130.0000 -48.78449 -45.86142 2.92307 2.40662 -46.00460 1043.16073
135.0000 -49.14369 -44.76930 4.37439 2.44925 -45.66986 1226.38142
140.0000 -48.39818 -45.08778 3.31040 2.54121 -44.94786 1213.81241
145.0000 -48.62599 -44.41810 4.20789 2.51559 -45.14906 1134.12178
150.0000 -47.69622 -43.99377 3.70244 2.65982 -44.01659 1432.90411
155.0000 -48.61724 -45.52514 3.09210 2.58616 -44.59496 1295.25745
160.0000 -48.67677 -45.33971 3.33705 2.45860 -45.59645 1099.74517
165.0000 -49.99703 -46.37441 3.62262 2.44666 -45.69022 1129.27014
170.0000 -49.05863 -45.68563 3.37300 2.38428 -46.17999 1083.22690
175.0000 -48.99559 -46.04378 2.95182 2.41411 -45.94583 1111.57752
180.0000 -48.53223 -45.36167 3.17056 2.40968 -45.98061 1095.96295
185.0000 -49.12751 -45.70204 3.42547 2.48023 -45.42669 1233.91858
190.0000 -49.18614 -45.24641 3.93973 2.35817 -46.38501 1059.33400
195.0000 -48.99568 -46.06046 2.93522 2.39212 -46.11844 1117.87562
200.0000 -49.31000 -46.32176 2.98825 2.34883 -46.45836 1018.02169
205.0000 -47.80702 -45.46691 2.34010 2.51188 -45.17818 1195.62625
210.0000 -48.36504 -44.72667 3.63837 2.52162 -45.10166 1193.31792
215.0000 -47.65878 -44.55447 3.10431 2.54524 -44.91622 1205.06284
220.0000 -46.42840 -43.09359 3.33481 2.67201 -43.92092 1329.71713
225.0000 -47.90443 -44.14384 3.76059 2.78169 -43.05979 1449.61097
230.0000 -49.62941 -46.46580 3.16361 2.52728 -45.05728 1239.07322
235.0000 -49.39739 -46.06168 3.33571 2.42907 -45.82837 1055.60959
240.0000 -49.69618 -46.57099 3.12519 2.38009 -46.21292 1085.45868
245.0000 -48.19135 -45.35590 2.83545 2.46164 -45.57265 1167.00028
250.0000 -48.86290 -46.16270 2.70020 2.52785 -45.05277 1171.02842
FREEZING PROCESS: loop number 2 T-loop= 1084.0000000000000
main_MD> interactions number 2 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.42560 -0.54683 2.07597
force_rgl> df(natom) 1.44561 2.83780 7.80137
255.0000 -49.29491 -46.39880 2.89611 2.41018 -45.97668 1068.03215
260.0000 -49.20623 -46.61148 2.59475 2.31247 -46.74382 989.34228
265.0000 -48.12104 -44.62339 3.49765 2.53832 -44.97058 1175.89969
270.0000 -49.55230 -46.03802 3.51428 2.51994 -45.11486 1188.39717
275.0000 -48.96756 -45.84110 3.12646 2.43137 -45.81029 1108.46428
280.0000 -48.66852 -46.30334 2.36518 2.39866 -46.06710 1025.92936
285.0000 -48.55482 -46.31744 2.23738 2.34885 -46.45818 987.82012
290.0000 -49.74855 -46.70514 3.04341 2.34349 -46.50026 1061.92806
295.0000 -49.30588 -46.52511 2.78077 2.40007 -46.05603 1096.36473
300.0000 -48.60039 -45.24428 3.35610 2.45244 -45.64484 1114.02707
305.0000 -48.95156 -45.83978 3.11178 2.46789 -45.52356 1189.07628
310.0000 -49.02024 -45.77533 3.24492 2.47110 -45.49838 1125.77566
315.0000 -48.23847 -45.44921 2.78926 2.50033 -45.26886 1200.43550
320.0000 -49.44970 -45.75764 3.69206 2.40532 -46.01478 1068.81327
325.0000 -49.44255 -46.00929 3.43326 2.39265 -46.11428 1102.60931
330.0000 -48.80571 -44.86371 3.94200 2.43579 -45.77558 1136.88613
335.0000 -48.63707 -45.96409 2.67298 2.49973 -45.27353 1191.56900
340.0000 -49.73556 -46.22804 3.50752 2.44800 -45.67968 1141.52854
345.0000 -48.55104 -45.10849 3.44255 2.52658 -45.06278 1304.72668
350.0000 -48.75685 -46.20724 2.54961 2.39646 -46.08435 1098.96295
355.0000 -49.45955 -46.82866 2.63090 2.33168 -46.59299 1010.42065
360.0000 -48.63934 -45.72460 2.91474 2.41950 -45.90349 1131.89420
365.0000 -48.35144 -45.42943 2.92202 2.45388 -45.63352 1157.73314
370.0000 -48.82081 -46.23678 2.58403 2.43632 -45.77145 1100.27314
375.0000 -47.40262 -45.27682 2.12580 2.45556 -45.62038 1051.18612
380.0000 -50.69331 -47.73944 2.95387 2.35766 -46.38902 992.68526
385.0000 -49.35273 -46.34781 3.00491 2.26013 -47.15479 926.90806
390.0000 -49.46067 -47.15043 2.31025 2.32191 -46.66974 1058.72683
395.0000 -49.04741 -46.76175 2.28565 2.24953 -47.23799 979.02894
400.0000 -50.23301 -47.60403 2.62898 2.29239 -46.90144 1003.59018
405.0000 -48.70738 -45.70148 3.00590 2.33314 -46.58150 1005.72598
410.0000 -50.24084 -47.10778 3.13307 2.34962 -46.45214 985.95843
415.0000 -50.24721 -46.96216 3.28505 2.28891 -46.92880 966.08130
420.0000 -49.26319 -46.26761 2.99558 2.31176 -46.74937 961.73553
425.0000 -49.95217 -46.17899 3.77318 2.37845 -46.22575 1070.10970
430.0000 -49.65750 -45.99449 3.66301 2.45431 -45.63015 1181.03244
435.0000 -49.68476 -46.37843 3.30632 2.39289 -46.11243 1109.50855
440.0000 -49.67053 -46.85921 2.81132 2.28402 -46.96720 908.07028
445.0000 -49.32816 -46.85884 2.46933 2.26236 -47.13722 918.16238
450.0000 -48.69164 -46.17624 2.51540 2.33581 -46.56060 1044.10703
455.0000 -48.89219 -45.77014 3.12205 2.45119 -45.65470 1114.94937
460.0000 -48.10013 -45.30272 2.79741 2.41005 -45.97766 1143.17289
465.0000 -48.86493 -45.64853 3.21640 2.50781 -45.21012 1168.43053
470.0000 -48.16736 -45.83390 2.33347 2.43964 -45.74537 1082.67436
475.0000 -49.12605 -45.84307 3.28298 2.42746 -45.84096 1027.26264
480.0000 -48.57029 -45.66690 2.90339 2.48859 -45.36104 1156.57927
485.0000 -49.26374 -46.20010 3.06364 2.45313 -45.63946 1157.07646
490.0000 -48.59625 -46.64214 1.95411 2.31851 -46.69640 1017.63543
495.0000 -48.53985 -45.55383 2.98602 2.36187 -46.35597 1071.33436
500.0000 -48.58722 -45.03078 3.55644 2.44092 -45.73533 1149.72012
FREEZING PROCESS: loop number 3 T-loop= 1059.0000000000000
main_MD> interactions number 3 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44082 -0.39556 0.37000
force_rgl> df(natom) -1.78438 -0.97151 -1.49172
505.0000 -50.00460 -47.15009 2.85451 2.38742 -46.15534 1083.44256
510.0000 -48.17561 -45.28088 2.89473 2.32942 -46.61075 1072.54116
515.0000 -48.99161 -44.83471 4.15690 2.53598 -44.98896 1294.74624
520.0000 -48.96447 -45.54859 3.41588 2.51661 -45.14102 1164.92975
525.0000 -49.05333 -45.55263 3.50070 2.49491 -45.31140 1170.78263
530.0000 -49.54786 -46.69879 2.84907 2.33311 -46.58180 960.29748
535.0000 -48.67062 -45.09367 3.57694 2.38623 -46.16472 1082.37389
540.0000 -48.01978 -43.48657 4.53321 2.54064 -44.95237 1250.49316
545.0000 -48.06675 -44.94301 3.12374 2.58864 -44.57552 1289.33151
550.0000 -48.81721 -45.46587 3.35134 2.60449 -44.45106 1293.13966
555.0000 -49.96444 -46.95074 3.01370 2.40238 -46.03787 1050.46752
560.0000 -49.09157 -45.95712 3.13446 2.40164 -46.04371 1099.70136
565.0000 -49.57383 -47.25394 2.31988 2.31110 -46.75455 985.65891
570.0000 -49.66425 -46.44168 3.22257 2.22958 -47.39464 937.52531
575.0000 -49.35395 -46.54539 2.80856 2.37661 -46.24023 1068.98185
580.0000 -48.66715 -45.70271 2.96443 2.34068 -46.52234 1025.87975
585.0000 -49.43522 -46.79816 2.63706 2.38424 -46.18033 1011.77010
590.0000 -49.76162 -46.11826 3.64337 2.34934 -46.45433 1073.97348
595.0000 -49.96890 -47.56165 2.40726 2.31783 -46.70177 1006.32984
600.0000 -49.57166 -46.60584 2.96582 2.26372 -47.12657 943.54811
605.0000 -49.09246 -45.05354 4.03893 2.40008 -46.05595 1062.51665
610.0000 -49.79511 -46.56537 3.22974 2.39725 -46.07816 1106.26895
615.0000 -49.07264 -45.50248 3.57016 2.47435 -45.47282 1208.84154
620.0000 -48.91430 -46.42456 2.48974 2.44052 -45.73843 1134.68376
625.0000 -49.36567 -46.69122 2.67445 2.28824 -46.93409 925.88170
630.0000 -49.82178 -47.47218 2.34960 2.25709 -47.17861 934.41797
635.0000 -49.82561 -46.98261 2.84300 2.27067 -47.07199 899.38323
640.0000 -49.53234 -45.93182 3.60052 2.33769 -46.54581 1033.43618
645.0000 -49.33138 -46.35564 2.97574 2.41771 -45.91750 1108.09117
650.0000 -49.69417 -46.49761 3.19656 2.40347 -46.02931 1046.99739
655.0000 -48.54885 -45.15262 3.39623 2.45197 -45.64853 1121.56484
660.0000 -49.52090 -46.52086 3.00005 2.43750 -45.76214 1144.53933
665.0000 -50.11682 -47.10259 3.01422 2.35798 -46.38649 1117.83867
670.0000 -49.64775 -46.68501 2.96275 2.26530 -47.11417 950.89742
675.0000 -50.16793 -48.08749 2.08043 2.17683 -47.80876 941.60270
680.0000 -50.15571 -47.72426 2.43145 2.14881 -48.02875 829.32275
685.0000 -49.49166 -46.89048 2.60118 2.29546 -46.87734 954.47648
690.0000 -49.08294 -46.43540 2.64754 2.33608 -46.55844 1020.48860
695.0000 -48.81432 -46.44193 2.37240 2.32531 -46.64297 1024.35803
700.0000 -48.83918 -46.06044 2.77875 2.32380 -46.65489 1044.47929
705.0000 -49.37786 -46.39656 2.98130 2.35548 -46.40612 1027.31229
710.0000 -49.22314 -46.94692 2.27622 2.40761 -45.99681 1072.89938
715.0000 -48.50578 -44.79573 3.71004 2.39849 -46.06846 1071.24299
720.0000 -48.00823 -45.34426 2.66397 2.51637 -45.14289 1160.22365
725.0000 -49.79267 -46.41285 3.37983 2.46907 -45.51430 1193.22126
730.0000 -48.53642 -46.06085 2.47557 2.39635 -46.08524 1042.51209
735.0000 -48.50868 -45.23989 3.26879 2.45149 -45.65234 1070.79180
740.0000 -48.38240 -45.03808 3.34432 2.54105 -44.94917 1233.34115
745.0000 -49.33048 -46.38060 2.94989 2.44685 -45.68878 1052.29713
750.0000 -48.90223 -46.09652 2.80572 2.39777 -46.07409 1025.55340
FREEZING PROCESS: loop number 4 T-loop= 1034.0000000000000
main_MD> interactions number 4 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26144 -0.70720 -0.89371
force_rgl> df(natom) 3.41806 -0.99152 -4.47214
755.0000 -48.59164 -45.63397 2.95767 2.36135 -46.36006 1021.09443
760.0000 -49.01215 -45.66458 3.34757 2.42103 -45.89144 1036.98088
765.0000 -48.90671 -46.67612 2.23059 2.38029 -46.21130 1094.64573
770.0000 -48.99154 -46.24991 2.74163 2.41147 -45.96653 1118.79329
775.0000 -49.49373 -46.15026 3.34347 2.42327 -45.87391 1086.11951
780.0000 -49.24914 -46.41879 2.83035 2.37346 -46.26500 981.05201
785.0000 -50.14671 -46.55096 3.59576 2.34676 -46.47457 1042.03048
790.0000 -48.20651 -45.64326 2.56325 2.40866 -45.98857 1047.33549
795.0000 -49.32493 -46.26333 3.06160 2.43938 -45.74741 1090.73086
800.0000 -48.52934 -45.76322 2.76612 2.44455 -45.70681 1071.02076
805.0000 -49.35312 -45.86332 3.48979 2.43294 -45.79798 1030.08377
810.0000 -49.78921 -46.48593 3.30328 2.34137 -46.51693 1060.56326
815.0000 -49.58804 -46.74917 2.83888 2.35071 -46.44361 1012.05920
820.0000 -49.06933 -46.16834 2.90099 2.32663 -46.63262 949.09076
825.0000 -49.31388 -46.36646 2.94742 2.37956 -46.21707 951.00955
830.0000 -49.34032 -46.52111 2.81922 2.39433 -46.10111 984.27938
835.0000 -49.44073 -46.43412 3.00661 2.41843 -45.91189 1090.58247
840.0000 -47.84947 -44.51870 3.33076 2.41980 -45.90111 1071.05669
845.0000 -49.09040 -45.16050 3.92990 2.50408 -45.23940 1146.31668
850.0000 -48.94203 -45.16195 3.78008 2.50815 -45.20746 1184.56175
855.0000 -47.32641 -44.06621 3.26020 2.52702 -45.05925 1159.84449
860.0000 -48.38871 -45.77116 2.61754 2.55489 -44.84048 1177.29283
865.0000 -49.06243 -45.64146 3.42098 2.42841 -45.83354 1063.67554
870.0000 -49.27568 -46.57660 2.69909 2.47003 -45.50678 1170.40520
875.0000 -48.82936 -46.59284 2.23651 2.28152 -46.98685 921.51964
880.0000 -49.72896 -47.24599 2.48298 2.26325 -47.13024 931.15109
885.0000 -50.05692 -46.89561 3.16131 2.26056 -47.15142 998.65660
890.0000 -50.42361 -47.63029 2.79332 2.30654 -46.79038 1064.60493
895.0000 -50.07982 -46.96595 3.11387 2.31598 -46.71628 982.78579
900.0000 -49.39496 -46.64022 2.75474 2.34826 -46.46278 1031.63749
905.0000 -50.32791 -47.38177 2.94615 2.25939 -47.16057 941.08016
910.0000 -50.15135 -47.48688 2.66448 2.23139 -47.38038 968.01849
915.0000 -49.83539 -47.00186 2.83353 2.27810 -47.01366 919.68345
920.0000 -50.56250 -46.98090 3.58160 2.27556 -47.03361 933.89720
925.0000 -49.59834 -46.44569 3.15265 2.38752 -46.15454 1051.40334
930.0000 -49.34773 -47.10518 2.24255 2.38631 -46.16404 1049.62792
935.0000 -48.05904 -45.86927 2.18977 2.31199 -46.74762 975.30138
940.0000 -48.91580 -45.92954 2.98627 2.44333 -45.71637 1150.22347
945.0000 -49.55854 -47.00791 2.55063 2.36870 -46.30236 1037.81090
950.0000 -48.67011 -45.83143 2.83868 2.33892 -46.53616 986.39716
955.0000 -48.76585 -46.01872 2.74713 2.30440 -46.80717 979.71367
960.0000 -48.90219 -45.27361 3.62858 2.51140 -45.18193 1179.79162
965.0000 -48.71089 -46.32630 2.38459 2.44435 -45.70839 1126.84188
970.0000 -48.44267 -45.59654 2.84613 2.39982 -46.05800 1030.14675
975.0000 -48.08446 -45.16366 2.92080 2.51956 -45.11789 1263.18246
980.0000 -49.04308 -46.18420 2.85888 2.42268 -45.87852 1068.79825
985.0000 -49.60065 -47.70380 1.89685 2.38475 -46.17632 1113.42904
990.0000 -49.29906 -46.38753 2.91153 2.24555 -47.26923 928.09463
995.0000 -49.43638 -46.65199 2.78439 2.29886 -46.85064 1012.67772
1000.0000 -50.01656 -46.50296 3.51360 2.32458 -46.64873 1019.00119
FREEZING PROCESS: loop number 5 T-loop= 1009.0000000000000
main_MD> interactions number 5 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.17181 0.42032 0.24065
force_rgl> df(natom) -1.13034 -1.55831 -1.05359
1005.0000 -49.35219 -45.52245 3.82974 2.45899 -45.59341 1094.12692
1010.0000 -49.68818 -46.60250 3.08569 2.37620 -46.24343 1089.98825
1015.0000 -48.09770 -45.26511 2.83259 2.45098 -45.65629 1131.89122
1020.0000 -50.06724 -46.01996 4.04728 2.43018 -45.81963 1059.79936
1025.0000 -49.88058 -46.98092 2.89965 2.29226 -46.90252 1015.71413
1030.0000 -48.79181 -46.27364 2.51817 2.31795 -46.70083 965.94799
1035.0000 -48.47498 -45.34873 3.12625 2.41962 -45.90257 1077.80826
1040.0000 -49.31498 -46.08921 3.22577 2.41438 -45.94369 1059.62747
1045.0000 -50.11726 -46.95590 3.16135 2.28344 -46.97178 958.48306
1050.0000 -50.22845 -46.54654 3.68191 2.27114 -47.06832 994.73339
1055.0000 -50.02943 -46.55940 3.47003 2.33478 -46.56862 1026.72316
1060.0000 -50.35833 -46.72158 3.63676 2.24349 -47.28543 968.56003
1065.0000 -48.89427 -45.57286 3.32142 2.33046 -46.60257 1055.95180
1070.0000 -49.18949 -46.58704 2.60245 2.40249 -46.03700 1100.19166
1075.0000 -48.38228 -45.25695 3.12533 2.39584 -46.08925 1088.01324
1080.0000 -49.47397 -46.24460 3.22937 2.36796 -46.30816 1019.88072
1085.0000 -49.38961 -46.24768 3.14194 2.42413 -45.86715 1076.31500
1090.0000 -49.06087 -46.22243 2.83844 2.37246 -46.27281 1019.81150
1095.0000 -49.85661 -46.95033 2.90628 2.35291 -46.42629 1012.65081
1100.0000 -49.79906 -46.78147 3.01759 2.31087 -46.75638 941.07241
1105.0000 -49.41176 -46.07184 3.33992 2.37996 -46.21393 990.00885
1110.0000 -48.71778 -45.91012 2.80767 2.44141 -45.73148 1143.10266
1115.0000 -48.99103 -44.70962 4.28140 2.43242 -45.80202 1097.09209
1120.0000 -50.07312 -47.08263 2.99049 2.45472 -45.62699 1183.47605
1125.0000 -51.09865 -48.55629 2.54236 2.18477 -47.74645 913.82165
1130.0000 -50.06606 -48.03090 2.03516 2.13694 -48.12197 759.45016
1135.0000 -50.00264 -47.21241 2.79023 2.25556 -47.19063 897.58820
1140.0000 -49.98520 -47.56528 2.41992 2.26317 -47.13093 849.48980
1145.0000 -50.43468 -47.21301 3.22166 2.19483 -47.66748 928.46635
1150.0000 -50.41501 -47.54911 2.86590 2.24732 -47.25535 978.17269
1155.0000 -49.37043 -46.74202 2.62842 2.28701 -46.94374 997.36742
1160.0000 -50.04696 -47.68289 2.36408 2.22668 -47.41739 922.63841
1165.0000 -49.60885 -46.52078 3.08807 2.27951 -47.00264 958.60414
1170.0000 -49.18500 -46.16213 3.02287 2.37418 -46.25934 1106.17094
1175.0000 -49.40220 -46.19501 3.20719 2.32719 -46.62824 934.16427
1180.0000 -50.17058 -46.98444 3.18615 2.33814 -46.54223 1037.91473
1185.0000 -47.98850 -45.16408 2.82442 2.38128 -46.20353 1017.98385
1190.0000 -47.47464 -44.91850 2.55614 2.50064 -45.26640 1189.27418
1195.0000 -49.60542 -47.48950 2.11592 2.33096 -46.59867 976.39667
1200.0000 -50.04110 -46.88932 3.15178 2.18864 -47.71605 857.24686
1205.0000 -48.98191 -46.61154 2.37036 2.25829 -47.16919 886.96195
1210.0000 -49.59136 -46.92105 2.67031 2.30297 -46.81844 940.83470
1215.0000 -50.47239 -48.01385 2.45854 2.23252 -47.37156 882.90928
1220.0000 -49.84166 -47.55716 2.28450 2.15456 -47.98362 854.86386
1225.0000 -49.25210 -47.22705 2.02505 2.19697 -47.65068 906.15275
1230.0000 -50.07628 -47.44540 2.63088 2.27502 -47.03784 971.11353
1235.0000 -49.69187 -47.04662 2.64525 2.30161 -46.82908 971.33388
1240.0000 -50.66373 -47.60723 3.05650 2.26538 -47.11356 922.29296
1245.0000 -50.07100 -47.32882 2.74218 2.22254 -47.44989 945.27339
1250.0000 -50.15574 -47.49095 2.66479 2.21913 -47.47666 887.74070
FREEZING PROCESS: loop number 6 T-loop= 984.00000000000000
main_MD> interactions number 6 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33579 -4.78324 2.92806
force_rgl> df(natom) 1.80586 -1.87865 -0.05454
1255.0000 -50.26920 -47.37660 2.89261 2.17508 -47.82254 831.99202
1260.0000 -49.51916 -48.10507 1.41408 2.15382 -47.98946 905.06166
1265.0000 -49.48332 -46.54627 2.93705 2.20672 -47.57410 864.86723
1270.0000 -50.46428 -48.18544 2.27884 2.23598 -47.34439 904.88132
1275.0000 -50.21511 -47.75387 2.46124 2.11175 -48.31974 781.60811
1280.0000 -50.13956 -47.78300 2.35656 2.21935 -47.47491 935.86607
1285.0000 -50.21885 -47.24533 2.97352 2.20159 -47.61441 904.54201
1290.0000 -50.35812 -47.80352 2.55461 2.21665 -47.49615 913.96376
1295.0000 -49.55053 -47.33440 2.21613 2.25578 -47.18888 954.59669
1300.0000 -50.59292 -47.63770 2.95521 2.23756 -47.33200 913.10946
1305.0000 -49.87186 -47.82145 2.05041 2.15430 -47.98567 848.14205
1310.0000 -50.23442 -46.68799 3.54643 2.25940 -47.16049 947.43037
1315.0000 -49.85640 -47.13662 2.71977 2.36695 -46.31606 1059.18838
1320.0000 -49.30403 -46.56896 2.73507 2.30262 -46.82118 974.45967
1325.0000 -50.14942 -48.07399 2.07543 2.21908 -47.47703 886.89107
1330.0000 -50.43236 -47.28459 3.14776 2.22586 -47.42385 920.56193
1335.0000 -48.84685 -46.88737 1.95948 2.26308 -47.13162 921.87342
1340.0000 -49.12210 -46.48139 2.64072 2.37707 -46.23658 1066.66905
1345.0000 -50.05755 -47.28961 2.76794 2.28050 -46.99481 986.19496
1350.0000 -49.43668 -46.41347 3.02320 2.33702 -46.55103 1061.60515
1355.0000 -50.08029 -47.34559 2.73469 2.31265 -46.74240 942.44549
1360.0000 -49.47878 -47.34088 2.13790 2.23274 -47.36979 890.98763
1365.0000 -49.55949 -47.08655 2.47294 2.27537 -47.03512 961.04259
1370.0000 -49.31295 -47.53634 1.77661 2.31783 -46.70174 1040.46965
1375.0000 -49.76296 -46.93701 2.82595 2.28276 -46.97712 968.78364
1380.0000 -49.80440 -46.79028 3.01412 2.29480 -46.88254 1038.40155
1385.0000 -49.12555 -46.65933 2.46622 2.34967 -46.45174 1031.34120
1390.0000 -49.44378 -46.95770 2.48608 2.26645 -47.10512 967.40678
1395.0000 -49.54719 -47.57010 1.97710 2.29233 -46.90197 957.00891
1400.0000 -49.87835 -46.77481 3.10354 2.29365 -46.89158 937.22520
1405.0000 -49.85034 -47.29338 2.55696 2.31678 -46.70998 1011.21188
1410.0000 -50.90057 -48.55069 2.34989 2.07643 -48.59704 771.62001
1415.0000 -50.34517 -48.31802 2.02714 2.04058 -48.87850 742.83447
1420.0000 -50.39948 -47.23795 3.16153 2.18866 -47.71588 892.93344
1425.0000 -49.38513 -47.17837 2.20676 2.23506 -47.35162 993.56566
1430.0000 -50.54699 -47.76640 2.78059 2.22312 -47.44536 881.60097
1435.0000 -49.26304 -47.44805 1.81499 2.25912 -47.16273 873.60710
1440.0000 -50.07894 -47.79885 2.28009 2.17882 -47.79313 857.68273
1445.0000 -50.38304 -47.72837 2.65467 2.23944 -47.31719 933.78229
1450.0000 -50.46680 -47.58964 2.87716 2.19381 -47.67545 933.87260
1455.0000 -50.00651 -47.41608 2.59043 2.22657 -47.41829 925.32786
1460.0000 -48.68791 -46.10654 2.58137 2.29749 -46.86145 953.40807
1465.0000 -49.23858 -46.76594 2.47264 2.38350 -46.18609 1034.72450
1470.0000 -48.81347 -45.64474 3.16874 2.46806 -45.52219 1153.52837
1475.0000 -48.11252 -45.22910 2.88342 2.46637 -45.53545 1172.27769
1480.0000 -48.92829 -45.91570 3.01259 2.44118 -45.73324 1121.09871
1485.0000 -48.27656 -45.73622 2.54033 2.47229 -45.48901 1095.21430
1490.0000 -48.93939 -46.32646 2.61294 2.43893 -45.75093 1067.80876
1495.0000 -49.78445 -47.59454 2.18991 2.21460 -47.51224 926.82486
1500.0000 -49.95149 -47.50977 2.44171 2.19430 -47.67165 949.70603
FREEZING PROCESS: loop number 7 T-loop= 959.00000000000000
main_MD> interactions number 7 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39765 -2.79626 -0.42885
force_rgl> df(natom) 1.33982 -0.60323 0.19940
1505.0000 -50.37242 -47.74756 2.62486 2.23799 -47.32861 936.96815
1510.0000 -50.71002 -48.16572 2.54430 2.12252 -48.23522 841.70709
1515.0000 -49.78136 -47.76328 2.01808 2.14370 -48.06893 832.67886
1520.0000 -49.01120 -46.69853 2.31266 2.24698 -47.25802 922.09305
1525.0000 -50.66391 -47.93152 2.73239 2.28854 -46.93172 919.57653
1530.0000 -49.84129 -47.24404 2.59725 2.15950 -47.94484 873.28723
1535.0000 -49.61588 -46.95422 2.66166 2.27091 -47.07012 989.73960
1540.0000 -49.97255 -47.66008 2.31247 2.27109 -47.06873 969.17764
1545.0000 -50.99596 -48.88927 2.10669 2.15587 -47.97332 818.18975
1550.0000 -49.78461 -47.74515 2.03946 2.10340 -48.38535 813.25404
1555.0000 -49.77175 -47.41585 2.35590 2.20532 -47.58507 926.68412
1560.0000 -49.78069 -47.71436 2.06633 2.20717 -47.57058 887.07316
1565.0000 -49.79299 -47.13876 2.65422 2.22675 -47.41687 933.58747
1570.0000 -49.53066 -45.99426 3.53640 2.31099 -46.75544 1018.24719
1575.0000 -48.29157 -45.34733 2.94424 2.43321 -45.79587 1043.85344
1580.0000 -49.34921 -46.74111 2.60810 2.33652 -46.55496 1009.84147
1585.0000 -49.90110 -46.79548 3.10562 2.28146 -46.98726 920.76673
1590.0000 -49.99951 -47.71704 2.28248 2.26506 -47.11609 956.78378
1595.0000 -49.39091 -46.98069 2.41021 2.24663 -47.26073 1021.16397
1600.0000 -49.43083 -46.51206 2.91877 2.24154 -47.30071 943.91200
1605.0000 -49.74131 -45.63647 4.10484 2.41477 -45.94058 1080.59650
1610.0000 -49.87220 -46.57532 3.29688 2.36739 -46.31263 1085.35498
1615.0000 -50.20068 -47.42166 2.77902 2.29303 -46.89644 961.49831
1620.0000 -50.42243 -47.93603 2.48640 2.20884 -47.55746 883.62360
1625.0000 -48.97135 -46.64956 2.32179 2.26484 -47.11780 896.33661
1630.0000 -49.72159 -46.46551 3.25607 2.33354 -46.57840 1033.38832
1635.0000 -49.93656 -46.44470 3.49186 2.31295 -46.74004 994.88221
1640.0000 -50.08632 -47.61493 2.47139 2.28396 -46.96763 998.29663
1645.0000 -48.86431 -46.33215 2.53216 2.22826 -47.40497 904.57630
1650.0000 -49.62579 -46.18309 3.44270 2.39047 -46.13142 1096.61778
1655.0000 -48.53480 -45.45054 3.08426 2.38081 -46.20724 1055.87315
1660.0000 -49.96564 -47.71818 2.24747 2.36294 -46.34755 983.48839
1665.0000 -50.16548 -47.86820 2.29728 2.19933 -47.63210 861.18042
1670.0000 -50.41693 -47.63428 2.78265 2.18556 -47.74023 899.42226
1675.0000 -51.44896 -48.03608 3.41288 2.19393 -47.67453 929.95096
1680.0000 -50.08489 -47.89335 2.19154 2.07079 -48.64139 826.38055
1685.0000 -50.53923 -48.48299 2.05625 2.17200 -47.84667 872.24942
1690.0000 -50.39294 -48.10345 2.28948 1.99205 -49.25955 695.93883
1695.0000 -49.48404 -47.58086 1.90318 2.23937 -47.31772 930.62378
1700.0000 -50.14159 -47.58746 2.55413 2.13792 -48.11425 820.51591
1705.0000 -50.43878 -47.38580 3.05298 2.24885 -47.24334 917.99391
1710.0000 -50.55851 -47.34604 3.21247 2.20189 -47.61201 914.69713
1715.0000 -49.45834 -47.02232 2.43603 2.23701 -47.33629 903.08033
1720.0000 -49.62625 -46.83364 2.79262 2.32485 -46.64663 999.68321
1725.0000 -49.69046 -45.86637 3.82409 2.35426 -46.41567 1067.36101
1730.0000 -49.12825 -46.10137 3.02688 2.40670 -46.00396 1101.51732
1735.0000 -49.66277 -47.30515 2.35762 2.23532 -47.34956 902.68101
1740.0000 -50.33403 -47.12821 3.20582 2.23143 -47.38012 918.19452
1745.0000 -49.15281 -46.76446 2.38835 2.26569 -47.11114 982.00336
1750.0000 -49.81608 -47.74509 2.07100 2.18639 -47.73375 836.45335
FREEZING PROCESS: loop number 8 T-loop= 934.00000000000000
main_MD> interactions number 8 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.19054 1.04511 0.88698
force_rgl> df(natom) -2.95344 -1.63022 1.37064
1755.0000 -50.80416 -47.44646 3.35770 2.16644 -47.89039 810.36203
1760.0000 -49.94643 -47.52171 2.42472 2.16869 -47.87269 884.76170
1765.0000 -49.89733 -46.96498 2.93234 2.29962 -46.84474 961.72568
1770.0000 -49.98033 -46.60028 3.38004 2.29447 -46.88517 1067.21834
1775.0000 -49.43279 -46.96254 2.47025 2.22105 -47.46156 901.74504
1780.0000 -48.88788 -45.95254 2.93534 2.38034 -46.21096 1012.47471
1785.0000 -48.45210 -45.74611 2.70599 2.35391 -46.41849 976.40264
1790.0000 -49.27410 -47.04832 2.22578 2.33163 -46.59335 979.16344
1795.0000 -51.32960 -48.13656 3.19304 2.21918 -47.47628 916.72138
1800.0000 -49.43351 -45.62177 3.81174 2.25972 -47.15795 1004.75722
1805.0000 -49.88548 -47.20376 2.68171 2.26932 -47.08259 898.75626
1810.0000 -50.53187 -46.89912 3.63275 2.28678 -46.94555 969.43393
1815.0000 -50.36203 -48.00638 2.35565 2.12242 -48.23601 786.36621
1820.0000 -50.55972 -47.90803 2.65169 2.15917 -47.94745 858.70706
1825.0000 -50.21936 -47.26430 2.95506 2.16979 -47.86405 883.77735
1830.0000 -49.48933 -46.66386 2.82547 2.31191 -46.74819 1036.67696
1835.0000 -49.41427 -47.02698 2.38729 2.27756 -47.01788 927.99323
1840.0000 -49.93647 -46.74873 3.18774 2.30609 -46.79394 931.40792
1845.0000 -49.98685 -47.09580 2.89105 2.30379 -46.81198 995.13461
1850.0000 -49.56053 -45.20651 4.35402 2.36387 -46.34022 1074.13626
1855.0000 -48.54731 -45.15782 3.38949 2.47949 -45.43246 1214.77488
1860.0000 -49.84843 -46.36424 3.48419 2.32861 -46.61708 990.29478
1865.0000 -50.11882 -48.00177 2.11705 2.24810 -47.24920 988.18018
1870.0000 -50.04152 -46.71169 3.32982 2.21758 -47.48884 859.45378
1875.0000 -50.72022 -46.86648 3.85374 2.24947 -47.23842 952.19331
1880.0000 -50.05824 -47.57978 2.47846 2.20890 -47.55700 893.24251
1885.0000 -49.70070 -47.43095 2.26975 2.29442 -46.88552 968.92387
1890.0000 -50.01408 -46.88634 3.12774 2.33280 -46.58422 1070.01174
1895.0000 -49.65756 -47.04262 2.61494 2.31517 -46.72262 981.76545
1900.0000 -50.29941 -47.57455 2.72486 2.25576 -47.18905 956.39513
1905.0000 -50.54101 -47.74108 2.79993 2.19030 -47.70301 907.88642
1910.0000 -50.37154 -47.78773 2.58381 2.23375 -47.36186 950.81631
1915.0000 -50.14661 -46.35540 3.79121 2.23066 -47.38614 854.98231
1920.0000 -49.97371 -46.89785 3.07586 2.33138 -46.59532 1092.47955
1925.0000 -50.27729 -48.25615 2.02114 2.16921 -47.86860 834.37559
1930.0000 -50.62860 -48.02787 2.60073 2.08609 -48.52123 775.45514
1935.0000 -50.22364 -47.83728 2.38636 2.17173 -47.84886 912.43438
1940.0000 -49.77136 -47.69909 2.07227 2.16578 -47.89555 775.00704
1945.0000 -49.64039 -47.59426 2.04614 2.22853 -47.40288 943.09321
1950.0000 -50.79127 -48.67482 2.11645 2.16186 -47.92635 869.68894
1955.0000 -51.24236 -48.41626 2.82609 2.07708 -48.59197 809.35437
1960.0000 -50.28535 -47.69726 2.58809 2.09965 -48.41472 789.13589
1965.0000 -50.52375 -47.24814 3.27560 2.28669 -46.94624 1011.68653
1970.0000 -49.83857 -47.02686 2.81171 2.24870 -47.24453 930.79916
1975.0000 -50.08294 -47.15085 2.93209 2.23726 -47.33433 905.19601
1980.0000 -50.69818 -47.77459 2.92358 2.19803 -47.64230 906.47628
1985.0000 -50.83449 -48.81976 2.01473 2.11595 -48.28676 843.76230
1990.0000 -50.89588 -49.08275 1.81313 2.09099 -48.48271 793.23906
1995.0000 -50.64280 -48.47198 2.17082 2.05955 -48.72956 790.63308
2000.0000 -49.86084 -47.55232 2.30852 2.14054 -48.09370 834.67303
FREEZING PROCESS: loop number 9 T-loop= 909.00000000000000
main_MD> interactions number 9 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81869 0.64276 -0.26959
force_rgl> df(natom) -3.52745 -2.34664 -2.91771
2005.0000 -50.09951 -47.55130 2.54821 2.20812 -47.56308 860.34623
2010.0000 -50.02594 -47.62676 2.39918 2.22491 -47.43126 943.36979
2015.0000 -51.10534 -48.97699 2.12835 2.09805 -48.42735 808.90115
2020.0000 -50.48155 -47.92558 2.55597 2.11329 -48.30765 790.70590
2025.0000 -50.69157 -48.17253 2.51904 2.15242 -48.00042 924.36804
2030.0000 -50.58353 -48.30623 2.27730 2.11841 -48.26746 804.69219
2035.0000 -50.72622 -48.34928 2.37694 2.09996 -48.41231 792.00447
2040.0000 -50.67638 -47.52854 3.14784 2.17563 -47.81824 948.24597
2045.0000 -49.60100 -47.66877 1.93223 2.15246 -48.00011 799.70023
2050.0000 -49.54727 -46.51738 3.02990 2.28887 -46.92909 954.37621
2055.0000 -49.84831 -45.87700 3.97131 2.44448 -45.70736 1047.44412
2060.0000 -50.58964 -47.41226 3.17738 2.30196 -46.82633 1077.26514
2065.0000 -50.14583 -47.36785 2.77798 2.19578 -47.65999 896.59567
2070.0000 -50.49041 -47.64142 2.84899 2.16194 -47.92566 821.65387
2075.0000 -50.94005 -48.43763 2.50242 2.23007 -47.39080 914.91256
2080.0000 -50.30713 -48.67596 1.63117 2.08429 -48.53536 809.87505
2085.0000 -49.79362 -47.34329 2.45032 2.15394 -47.98849 850.25577
2090.0000 -50.93603 -47.47022 3.46581 2.22855 -47.40271 874.44594
2095.0000 -50.19530 -47.03149 3.16381 2.25908 -47.16302 957.35013
2100.0000 -49.69059 -47.70862 1.98197 2.28712 -46.94288 911.36205
2105.0000 -50.02423 -47.45548 2.56875 2.26056 -47.15141 935.50094
2110.0000 -49.92510 -47.42770 2.49740 2.24127 -47.30281 969.61504
2115.0000 -49.14963 -46.93629 2.21333 2.35344 -46.42218 1009.44888
2120.0000 -49.57990 -47.08443 2.49547 2.29054 -46.91596 910.67769
2125.0000 -49.60890 -47.92785 1.68105 2.24099 -47.30506 904.95418
2130.0000 -50.69380 -47.94746 2.74633 2.09915 -48.41871 786.20072
2135.0000 -49.76045 -46.85681 2.90364 2.23288 -47.36874 977.22398
2140.0000 -49.31792 -46.96357 2.35434 2.31133 -46.75274 929.54613
2145.0000 -50.52431 -47.25923 3.26508 2.25652 -47.18311 984.64719
2150.0000 -49.37768 -47.24752 2.13015 2.27851 -47.01047 980.33135
2155.0000 -49.24086 -47.01447 2.22639 2.31557 -46.71948 918.23047
2160.0000 -48.61317 -46.46534 2.14782 2.29507 -46.88040 996.28474
2165.0000 -49.20781 -46.65690 2.55091 2.37462 -46.25584 1063.86915
2170.0000 -50.37115 -47.49388 2.87727 2.31875 -46.69449 975.50557
2175.0000 -49.99997 -48.26479 1.73519 2.13713 -48.12045 822.52884
2180.0000 -50.63699 -48.09944 2.53754 2.09158 -48.47811 813.59137
2185.0000 -50.19105 -48.40249 1.78856 2.17213 -47.84570 844.03267
2190.0000 -50.79858 -47.48769 3.31089 2.14839 -48.03206 809.09554
2195.0000 -50.49493 -47.95031 2.54462 2.18522 -47.74289 846.39891
2200.0000 -49.09762 -46.96861 2.12901 2.25746 -47.17569 905.40000
2205.0000 -49.62836 -47.14259 2.48577 2.28102 -46.99075 871.00697
2210.0000 -50.20249 -47.01235 3.19014 2.28522 -46.95774 1002.20739
2215.0000 -49.83697 -46.90542 2.93154 2.32369 -46.65576 1064.44253
2220.0000 -49.92742 -47.66491 2.26251 2.23025 -47.38936 960.12866
2225.0000 -50.46627 -48.13791 2.32836 2.20001 -47.62676 850.26140
2230.0000 -50.68120 -48.39149 2.28971 2.14136 -48.08729 796.56030
2235.0000 -51.07891 -47.69275 3.38617 2.11184 -48.31907 842.19688
2240.0000 -50.64709 -48.64368 2.00342 2.20337 -47.60040 895.72773
2245.0000 -49.72759 -47.12255 2.60504 2.17921 -47.79007 893.04250
2250.0000 -50.07745 -47.11072 2.96673 2.29567 -46.87575 988.01730
FREEZING PROCESS: loop number 10 T-loop= 884.00000000000000
main_MD> interactions number 10 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.96056 0.01865 0.45239
force_rgl> df(natom) 1.82949 -0.24272 -1.44273
2255.0000 -49.94954 -46.21345 3.73609 2.31504 -46.72361 962.47935
2260.0000 -50.03400 -47.99076 2.04324 2.24358 -47.28467 883.14193
2265.0000 -51.02428 -47.72392 3.30036 2.16666 -47.88864 846.28756
2270.0000 -49.97426 -47.56253 2.41172 2.24030 -47.31043 893.19984
2275.0000 -50.26154 -47.67006 2.59148 2.22772 -47.40921 909.38311
2280.0000 -50.06506 -47.03273 3.03232 2.21011 -47.54748 926.29367
2285.0000 -48.93153 -46.14405 2.78749 2.36224 -46.35308 1017.37460
2290.0000 -49.67846 -46.81218 2.86628 2.43181 -45.80680 1074.52563
2295.0000 -48.95922 -46.35281 2.60641 2.34333 -46.50155 990.48426
2300.0000 -50.05790 -46.58514 3.47276 2.31918 -46.69110 983.32128
2305.0000 -49.83077 -46.73959 3.09118 2.24211 -47.29625 978.16913
2310.0000 -49.54089 -46.77916 2.76174 2.29135 -46.90962 955.91361
2315.0000 -49.49753 -46.61515 2.88238 2.26634 -47.10604 953.64154
2320.0000 -50.97613 -48.44730 2.52884 2.18394 -47.75297 867.77129
2325.0000 -50.59621 -48.39122 2.20499 2.11299 -48.31002 858.37184
2330.0000 -50.36248 -48.23536 2.12712 2.12237 -48.23637 823.74299
2335.0000 -49.63991 -47.29364 2.34626 2.20505 -47.58721 888.83983
2340.0000 -50.66306 -48.35224 2.31083 2.22990 -47.39210 891.70427
2345.0000 -49.71761 -47.44269 2.27492 2.15507 -47.97963 868.57554
2350.0000 -50.07770 -47.09059 2.98711 2.24188 -47.29804 877.76663
2355.0000 -49.46444 -46.80348 2.66096 2.25969 -47.15820 946.83780
2360.0000 -49.82698 -47.03772 2.78925 2.28150 -46.98698 957.51054
2365.0000 -50.21732 -47.52028 2.69705 2.30729 -46.78447 1001.94212
2370.0000 -49.49880 -46.96028 2.53852 2.21022 -47.54661 897.47238
2375.0000 -50.48938 -48.56118 1.92820 2.18562 -47.73980 925.95346
2380.0000 -50.90267 -48.40855 2.49411 2.10507 -48.37218 798.33009
2385.0000 -49.92786 -46.87087 3.05698 2.18456 -47.74806 793.47623
2390.0000 -50.35271 -48.57517 1.77754 2.19130 -47.69517 858.29961
2395.0000 -50.47170 -47.41810 3.05360 2.11111 -48.32476 800.08693
2400.0000 -50.64370 -48.60662 2.03708 2.12404 -48.22323 779.20936
2405.0000 -49.18671 -46.89536 2.29136 2.20872 -47.55837 857.59986
2410.0000 -49.12036 -46.92633 2.19403 2.30191 -46.82676 981.18225
2415.0000 -48.70483 -46.38416 2.32066 2.28367 -46.96993 931.27784
2420.0000 -49.98771 -47.62454 2.36317 2.29910 -46.84882 956.38013
2425.0000 -51.23025 -48.89147 2.33878 2.19599 -47.65831 842.79006
2430.0000 -50.25098 -47.91576 2.33522 2.12882 -48.18576 815.81949
2435.0000 -51.10031 -49.13768 1.96263 2.17093 -47.85513 834.68511
2440.0000 -49.83982 -47.85608 1.98374 2.13067 -48.17118 819.38817
2445.0000 -49.00963 -46.31263 2.69700 2.30716 -46.78551 964.36833
2450.0000 -49.15740 -46.58229 2.57510 2.32023 -46.68285 972.76208
2455.0000 -48.90482 -45.84124 3.06358 2.41329 -45.95226 1127.89015
2460.0000 -49.59622 -46.04486 3.55136 2.44018 -45.74109 1117.62165
2465.0000 -49.73859 -46.72006 3.01853 2.35304 -46.42531 1022.29149
2470.0000 -49.81653 -47.05530 2.76122 2.27758 -47.01776 961.44653
2475.0000 -49.12615 -46.03199 3.09416 2.43393 -45.79020 1127.09157
2480.0000 -49.81167 -47.53900 2.27266 2.32786 -46.62297 997.12387
2485.0000 -49.79889 -47.13934 2.65955 2.24122 -47.30324 904.40074
2490.0000 -49.86240 -47.54783 2.31457 2.22786 -47.40809 881.81172
2495.0000 -49.00873 -47.42127 1.58745 2.22429 -47.43617 889.07123
2500.0000 -50.01403 -47.60538 2.40865 2.17224 -47.84481 835.57186
FREEZING PROCESS: loop number 11 T-loop= 859.00000000000000
main_MD> interactions number 11 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62084 -2.30429 0.97256
force_rgl> df(natom) 0.73620 -1.79980 -2.03014
2505.0000 -50.63142 -48.25845 2.37298 2.16796 -47.87844 825.47095
2510.0000 -50.54123 -47.93451 2.60673 2.14329 -48.07213 799.16564
2515.0000 -50.34755 -46.92894 3.41861 2.25251 -47.21462 988.44880
2520.0000 -49.61694 -47.29173 2.32521 2.29431 -46.88638 1008.18299
2525.0000 -50.36505 -48.14356 2.22149 2.18070 -47.77839 838.33907
2530.0000 -50.68083 -47.41098 3.26985 2.15594 -47.97283 814.89920
2535.0000 -49.60331 -47.31945 2.28385 2.18931 -47.71079 843.61265
2540.0000 -48.82484 -46.53759 2.28725 2.29377 -46.89064 962.20237
2545.0000 -49.88459 -47.23951 2.64508 2.33275 -46.58459 954.11551
2550.0000 -49.74076 -46.15552 3.58524 2.33796 -46.54366 1046.83157
2555.0000 -48.20463 -45.61072 2.59391 2.46776 -45.52458 1099.97622
2560.0000 -49.46196 -46.30269 3.15926 2.38569 -46.16896 1038.32986
2565.0000 -51.08858 -49.17662 1.91195 2.18697 -47.72920 934.26244
2570.0000 -50.81151 -48.70175 2.10975 2.07851 -48.58071 698.27477
2575.0000 -50.99122 -48.67318 2.31803 2.06761 -48.66633 786.81298
2580.0000 -50.64513 -47.47912 3.16601 2.15979 -47.94257 908.95227
2585.0000 -49.55375 -47.12237 2.43138 2.23178 -47.37732 918.28767
2590.0000 -50.66139 -47.74005 2.92135 2.29319 -46.89516 1013.24482
2595.0000 -50.15000 -47.41754 2.73246 2.27271 -47.05599 1008.16255
2600.0000 -49.78426 -47.48877 2.29550 2.24405 -47.28100 975.39625
2605.0000 -50.41892 -47.65607 2.76285 2.20884 -47.55747 908.83506
2610.0000 -50.39136 -48.54880 1.84256 2.04976 -48.80645 678.82214
2615.0000 -50.02828 -47.88250 2.14578 2.16436 -47.90668 851.83367
2620.0000 -50.76475 -47.76733 2.99742 2.16169 -47.92764 823.89069
2625.0000 -49.99556 -47.72104 2.27452 2.17432 -47.82853 908.81802
2630.0000 -50.01112 -47.40146 2.60966 2.20587 -47.58077 858.16402
2635.0000 -50.03299 -47.47725 2.55574 2.24701 -47.25777 974.44359
2640.0000 -50.37350 -47.93745 2.43605 2.14228 -48.08007 848.40958
2645.0000 -50.91905 -48.26880 2.65025 2.13872 -48.10801 840.65558
2650.0000 -50.51460 -48.52221 1.99239 2.11813 -48.26968 847.58625
2655.0000 -50.80632 -48.59310 2.21321 2.08405 -48.53724 752.94901
2660.0000 -50.24870 -47.64733 2.60137 2.08785 -48.50738 752.10148
2665.0000 -50.20337 -46.44546 3.75792 2.23111 -47.38265 927.44905
2670.0000 -49.66272 -46.94712 2.71561 2.29953 -46.84539 1006.99317
2675.0000 -50.85261 -47.84105 3.01156 2.22293 -47.44683 963.75210
2680.0000 -50.41966 -48.26273 2.15694 2.04077 -48.87706 731.95216
2685.0000 -50.39012 -48.03708 2.35304 2.17939 -47.78871 835.88496
2690.0000 -49.29469 -47.33635 1.95835 2.24092 -47.30558 949.35729
2695.0000 -49.64916 -47.26902 2.38014 2.19846 -47.63897 865.28640
2700.0000 -49.91312 -47.71159 2.20153 2.22507 -47.43005 889.48076
2705.0000 -49.89324 -46.95754 2.93570 2.19925 -47.63273 817.01563
2710.0000 -48.50741 -46.65555 1.85186 2.27114 -47.06831 950.46008
2715.0000 -50.04943 -46.60605 3.44338 2.30093 -46.83444 1040.32584
2720.0000 -49.58588 -46.65460 2.93128 2.31477 -46.72579 989.98720
2725.0000 -49.80547 -47.41110 2.39437 2.29965 -46.84449 990.45624
2730.0000 -49.55196 -46.91947 2.63249 2.29575 -46.87507 939.27090
2735.0000 -49.30824 -46.93409 2.37416 2.27129 -47.06711 877.44915
2740.0000 -50.81331 -48.46067 2.35265 2.24688 -47.25882 1005.70901
2745.0000 -51.07334 -48.36123 2.71211 2.07863 -48.57981 805.69736
2750.0000 -49.99510 -48.16403 1.83107 2.09063 -48.48558 775.30697
FREEZING PROCESS: loop number 12 T-loop= 834.00000000000000
main_MD> interactions number 12 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.90142 2.83836 -0.20118
force_rgl> df(natom) -1.73406 1.07926 1.91115
2755.0000 -50.30697 -48.17353 2.13344 2.13256 -48.15640 852.26827
2760.0000 -49.72839 -47.20641 2.52198 2.17262 -47.84187 850.43278
2765.0000 -50.32318 -47.75339 2.56979 2.16945 -47.86671 831.39905
2770.0000 -50.17813 -47.52296 2.65517 2.16176 -47.92707 851.54548
2775.0000 -50.05544 -47.46571 2.58973 2.18276 -47.76220 822.65041
2780.0000 -50.78466 -48.78714 1.99752 2.16792 -47.87876 814.66025
2785.0000 -50.00807 -47.58764 2.42044 2.14648 -48.04707 779.50366
2790.0000 -50.08335 -47.25588 2.82747 2.25842 -47.16820 887.94862
2795.0000 -51.10100 -48.10181 2.99919 2.19922 -47.63301 860.94188
2800.0000 -50.25499 -47.67190 2.58309 2.16701 -47.88588 885.62968
2805.0000 -50.81973 -48.61796 2.20177 2.15753 -47.96029 826.17343
2810.0000 -50.59338 -48.13900 2.45437 2.10309 -48.38776 766.23673
2815.0000 -50.08924 -48.33952 1.74972 2.17173 -47.84886 867.18513
2820.0000 -50.08358 -47.93480 2.14878 2.16416 -47.90827 850.17847
2825.0000 -50.28611 -47.57576 2.71035 2.15719 -47.96297 873.54582
2830.0000 -50.31721 -47.55572 2.76150 2.24271 -47.29156 885.98838
2835.0000 -50.67737 -46.67821 3.99916 2.25352 -47.20668 935.41594
2840.0000 -49.85173 -47.10606 2.74567 2.33625 -46.55709 964.10431
2845.0000 -49.86381 -47.50191 2.36189 2.25540 -47.19189 902.02474
2850.0000 -49.80780 -47.83208 1.97572 2.22428 -47.43622 917.56341
2855.0000 -51.05902 -48.28816 2.77086 2.11684 -48.27975 828.44674
2860.0000 -51.10633 -49.05841 2.04792 2.02224 -49.02250 722.88299
2865.0000 -50.97379 -48.44166 2.53213 2.03357 -48.93360 743.95857
2870.0000 -50.97298 -48.84304 2.12993 2.08887 -48.49937 824.18869
2875.0000 -51.11085 -49.31976 1.79109 1.99932 -49.20249 712.98107
2880.0000 -51.35519 -49.73471 1.62047 1.95321 -49.56448 658.52114
2885.0000 -50.38701 -48.04145 2.34556 2.07057 -48.64310 773.92891
2890.0000 -51.53198 -49.13992 2.39206 2.09969 -48.41448 806.30024
2895.0000 -51.25646 -49.16618 2.09029 1.98453 -49.31857 667.38909
2900.0000 -51.83516 -50.48460 1.35056 1.96763 -49.45132 666.35721
2905.0000 -50.88161 -48.71956 2.16205 1.96266 -49.49032 675.35126
2910.0000 -51.38811 -49.00848 2.37963 2.04124 -48.87338 754.07015
2915.0000 -51.20224 -48.56677 2.63546 2.04016 -48.88182 742.38124
2920.0000 -50.43488 -47.95012 2.48476 2.09623 -48.44161 793.98454
2925.0000 -50.85081 -49.36704 1.48377 2.13036 -48.17364 816.97621
2930.0000 -50.48752 -47.99731 2.49021 2.03302 -48.93787 732.33865
2935.0000 -51.04515 -48.74798 2.29717 2.11462 -48.29720 844.24248
2940.0000 -51.10255 -48.46394 2.63861 2.07462 -48.61125 835.57554
2945.0000 -50.83401 -48.23700 2.59701 2.08691 -48.51479 779.14365
2950.0000 -50.81742 -48.13741 2.68002 2.11985 -48.25613 811.77581
2955.0000 -49.84198 -47.35905 2.48293 2.12647 -48.20416 853.95673
2960.0000 -50.23817 -48.07648 2.16168 2.14336 -48.07154 869.88553
2965.0000 -50.89811 -48.51579 2.38232 2.08918 -48.49693 755.92347
2970.0000 -50.17861 -47.97476 2.20386 2.10092 -48.40478 837.41928
2975.0000 -51.12791 -47.60445 3.52346 2.18500 -47.74466 905.97680
2980.0000 -50.11100 -46.98026 3.13074 2.21804 -47.48521 934.73436
2985.0000 -50.55720 -48.16005 2.39715 2.24148 -47.30119 909.40298
2990.0000 -51.19832 -48.33853 2.85979 2.10343 -48.38506 820.56761
2995.0000 -51.13727 -48.14682 2.99045 2.16460 -47.90482 914.13647
3000.0000 -50.44066 -48.30225 2.13842 2.15835 -47.95388 931.29520
FREEZING PROCESS: loop number 13 T-loop= 809.00000000000000
main_MD> interactions number 13 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36911 -1.52576 1.42527
force_rgl> df(natom) 2.45460 -1.71391 -1.38153
3005.0000 -50.26759 -47.97685 2.29073 2.14452 -48.06245 864.09557
3010.0000 -49.36802 -47.66519 1.70283 2.14564 -48.05369 734.78919
3015.0000 -50.48917 -48.38539 2.10379 2.17054 -47.85815 827.73376
3020.0000 -50.91349 -47.59305 3.32044 2.19940 -47.63155 874.68064
3025.0000 -50.18687 -48.18225 2.00462 2.14646 -48.04722 834.00454
3030.0000 -51.31333 -48.87622 2.43711 2.04618 -48.83457 758.89770
3035.0000 -50.79057 -48.81665 1.97392 2.03912 -48.89002 727.27694
3040.0000 -50.79334 -49.02459 1.76875 2.01396 -49.08758 734.17924
3045.0000 -50.74675 -48.82355 1.92320 1.99886 -49.20613 727.82215
3050.0000 -50.97032 -48.51794 2.45239 2.06210 -48.70959 775.57666
3055.0000 -50.49350 -48.30553 2.18797 2.11849 -48.26686 803.67990
3060.0000 -49.07983 -46.69356 2.38627 2.20804 -47.56374 896.89597
3065.0000 -50.81152 -48.13725 2.67427 2.17989 -47.78475 897.02603
3070.0000 -50.75962 -48.81475 1.94486 2.08892 -48.49901 799.35525
3075.0000 -50.60699 -48.20783 2.39915 2.10392 -48.38121 866.79677
3080.0000 -50.57536 -47.83655 2.73881 2.11772 -48.27284 849.67052
3085.0000 -49.75186 -47.07652 2.67534 2.20683 -47.57326 874.78183
3090.0000 -49.94253 -46.81710 3.12543 2.26482 -47.11794 971.00279
3095.0000 -49.68402 -47.17999 2.50403 2.27729 -47.02005 965.80201
3100.0000 -50.68345 -46.65349 4.02997 2.33453 -46.57058 1035.09052
3105.0000 -49.78586 -47.76690 2.01897 2.23937 -47.31779 931.57813
3110.0000 -50.93731 -48.29474 2.64258 2.15054 -48.01521 835.21045
3115.0000 -50.89347 -48.90939 1.98408 2.05353 -48.77683 784.49622
3120.0000 -49.91675 -47.71267 2.20408 2.17648 -47.81153 876.88749
3125.0000 -49.92474 -46.58291 3.34183 2.28112 -46.98995 977.05976
3130.0000 -49.91972 -47.59307 2.32664 2.25335 -47.20803 869.57727
3135.0000 -51.02881 -47.57522 3.45360 2.18722 -47.72720 867.07066
3140.0000 -50.43195 -47.35615 3.07580 2.25123 -47.22460 983.59327
3145.0000 -49.61649 -47.13246 2.48403 2.21515 -47.50791 820.09339
3150.0000 -50.11839 -47.63508 2.48331 2.23333 -47.36519 873.04746
3155.0000 -49.63835 -46.54373 3.09462 2.26188 -47.14105 929.98971
3160.0000 -50.07379 -47.66735 2.40644 2.27005 -47.07691 929.28696
3165.0000 -51.41868 -49.12636 2.29232 2.13281 -48.15437 835.84878
3170.0000 -50.91180 -47.95553 2.95627 2.07634 -48.59778 800.23706
3175.0000 -51.02158 -48.69626 2.32532 2.04817 -48.81893 741.79854
3180.0000 -50.98331 -48.99327 1.99004 2.07945 -48.57332 764.18104
3185.0000 -50.99654 -48.90436 2.09218 2.02714 -48.98407 714.03799
3190.0000 -49.58689 -47.44613 2.14075 2.12186 -48.24038 824.25061
3195.0000 -50.14757 -47.65162 2.49595 2.20510 -47.58680 848.51499
3200.0000 -50.45472 -48.41386 2.04086 2.11270 -48.31229 822.59589
3205.0000 -49.84550 -47.79258 2.05291 2.11270 -48.31228 808.27970
3210.0000 -50.44272 -46.96044 3.48229 2.29299 -46.89675 993.41176
3215.0000 -50.43535 -48.41803 2.01733 2.17486 -47.82427 881.04525
3220.0000 -50.28575 -48.25113 2.03462 2.19266 -47.68448 888.18169
3225.0000 -50.23378 -47.85309 2.38069 2.17989 -47.78479 834.57588
3230.0000 -50.06004 -47.35833 2.70171 2.17385 -47.83216 859.55652
3235.0000 -50.13749 -47.89922 2.23827 2.18333 -47.75778 879.23670
3240.0000 -50.43601 -48.14537 2.29065 2.17519 -47.82166 835.76073
3245.0000 -49.83070 -48.09012 1.74057 2.13538 -48.13426 848.93428
3250.0000 -50.49332 -47.78204 2.71128 2.12099 -48.24720 778.56986
FREEZING PROCESS: loop number 14 T-loop= 784.00000000000000
main_MD> interactions number 14 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22103 4.33914 0.14775
force_rgl> df(natom) -1.14065 0.46177 -2.26703
3255.0000 -50.26639 -47.69781 2.56858 2.15270 -47.99826 876.89102
3260.0000 -51.03427 -47.80975 3.22452 2.17914 -47.79067 923.27488
3265.0000 -50.94559 -48.47907 2.46652 2.11750 -48.27460 815.48014
3270.0000 -50.52065 -48.09567 2.42498 2.01720 -49.06207 737.04320
3275.0000 -49.89320 -47.29301 2.60019 2.18445 -47.74898 911.88058
3280.0000 -50.65687 -47.97406 2.68281 2.18134 -47.77340 853.42398
3285.0000 -51.40644 -49.37052 2.03592 2.05757 -48.74517 737.92249
3290.0000 -51.12805 -48.50253 2.62553 2.03813 -48.89778 730.23928
3295.0000 -50.61539 -48.32008 2.29530 2.11346 -48.30630 804.18935
3300.0000 -49.94993 -47.89889 2.05104 2.12630 -48.20553 836.19080
3305.0000 -50.14395 -47.84981 2.29413 2.21539 -47.50604 856.63898
3310.0000 -50.29407 -47.66584 2.62824 2.14938 -48.02430 780.53103
3315.0000 -50.40528 -48.37461 2.03067 2.15908 -47.94813 809.66485
3320.0000 -51.04406 -48.74583 2.29823 2.11273 -48.31204 838.08692
3325.0000 -50.92665 -48.68283 2.24382 2.05559 -48.76068 762.55869
3330.0000 -50.41564 -47.85691 2.55873 2.11915 -48.26162 814.46654
3335.0000 -50.59012 -48.09401 2.49611 2.13428 -48.14286 760.16636
3340.0000 -50.78188 -47.88651 2.89537 2.14618 -48.04944 841.40973
3345.0000 -50.92999 -48.63693 2.29307 2.05732 -48.74711 788.57021
3350.0000 -51.23921 -48.95104 2.28817 2.04094 -48.87571 760.46120
3355.0000 -51.04285 -48.95335 2.08950 2.07602 -48.60030 785.12534
3360.0000 -51.54913 -49.30236 2.24677 2.01336 -49.09222 710.25002
3365.0000 -50.57554 -47.74102 2.83452 2.12444 -48.22011 854.16771
3370.0000 -50.53821 -48.94444 1.59377 2.15921 -47.94715 844.78975
3375.0000 -50.99807 -49.31418 1.68388 2.01431 -49.08480 674.65465
3380.0000 -51.00929 -47.92662 3.08267 2.05857 -48.73725 802.19009
3385.0000 -50.01944 -48.14380 1.87564 2.08568 -48.52447 760.59446
3390.0000 -50.35242 -46.93169 3.42073 2.19509 -47.66539 898.22812
3395.0000 -50.00788 -46.75879 3.24909 2.25266 -47.21345 953.32471
3400.0000 -49.99821 -47.38829 2.60992 2.29594 -46.87359 967.95232
3405.0000 -50.70922 -48.00712 2.70210 2.18141 -47.77284 881.28238
3410.0000 -49.72110 -47.30836 2.41274 2.21412 -47.51598 913.76644
3415.0000 -50.11444 -47.47924 2.63520 2.23756 -47.33196 913.33802
3420.0000 -50.78727 -48.85952 1.92775 2.11964 -48.25779 812.94305
3425.0000 -50.80204 -48.87967 1.92237 2.00466 -49.16056 690.27374
3430.0000 -51.16508 -49.07889 2.08619 2.07243 -48.62845 754.82463
3435.0000 -50.73360 -48.27073 2.46287 2.06178 -48.71206 792.40786
3440.0000 -50.16025 -47.62689 2.53336 2.14632 -48.04836 791.88739
3445.0000 -50.50744 -48.05363 2.45382 2.19434 -47.67131 865.01500
3450.0000 -50.97352 -48.56060 2.41292 2.10836 -48.34637 842.31274
3455.0000 -49.63886 -47.27422 2.36464 2.12886 -48.18539 815.01575
3460.0000 -50.59283 -47.57118 3.02165 2.27442 -47.04256 978.87002
3465.0000 -50.25836 -47.91293 2.34542 2.14921 -48.02563 831.80494
3470.0000 -50.54136 -48.37995 2.16142 2.12408 -48.22297 831.27347
3475.0000 -50.50006 -47.89851 2.60154 2.08355 -48.54116 786.01867
3480.0000 -50.37940 -47.96877 2.41063 2.13792 -48.11432 893.00198
3485.0000 -50.24593 -48.21188 2.03406 2.13568 -48.13190 881.85367
3490.0000 -50.90529 -49.17782 1.72747 2.04682 -48.82956 693.81603
3495.0000 -51.43881 -49.66135 1.77746 2.00995 -49.11905 691.19681
3500.0000 -50.83255 -48.49365 2.33889 2.04527 -48.84169 739.14470
FREEZING PROCESS: loop number 15 T-loop= 759.00000000000000
main_MD> interactions number 15 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.23938 1.12439 0.48979
force_rgl> df(natom) -1.69379 -0.26495 -1.79113
3505.0000 -51.82604 -49.27666 2.54938 2.02015 -49.03892 754.22881
3510.0000 -51.12643 -49.28513 1.84130 2.02545 -48.99731 751.40666
3515.0000 -51.67079 -49.97386 1.69693 1.93354 -49.71893 658.51386
3520.0000 -50.83713 -49.26029 1.57684 1.91782 -49.84242 559.07968
3525.0000 -51.04747 -49.52558 1.52189 1.99943 -49.20159 680.72274
3530.0000 -50.42102 -48.50563 1.91540 2.03497 -48.92257 727.19010
3535.0000 -51.22210 -48.56804 2.65406 2.10664 -48.35990 835.02538
3540.0000 -50.55140 -48.39430 2.15710 2.11398 -48.30221 795.45946
3545.0000 -51.58339 -50.01348 1.56990 1.95992 -49.51182 636.00484
3550.0000 -50.50527 -48.22594 2.27933 2.01544 -49.07591 720.56841
3555.0000 -50.00646 -47.45583 2.55064 2.14237 -48.07935 771.99052
3560.0000 -50.59072 -48.06135 2.52936 2.15937 -47.94584 812.59485
3565.0000 -50.22565 -47.83017 2.39548 2.17932 -47.78921 855.29100
3570.0000 -50.39663 -47.99392 2.40271 2.19446 -47.67040 824.68930
3575.0000 -50.07110 -47.59099 2.48011 2.20974 -47.55042 867.09349
3580.0000 -50.31348 -48.37189 1.94159 2.09367 -48.46172 812.15688
3585.0000 -50.76828 -47.83825 2.93004 2.16408 -47.90886 865.27718
3590.0000 -50.62859 -47.82577 2.80282 2.10426 -48.37854 726.61862
3595.0000 -50.75377 -49.04627 1.70749 2.12531 -48.21327 777.83757
3600.0000 -50.61863 -48.36800 2.25063 2.04281 -48.86102 763.62701
3605.0000 -50.15248 -47.44436 2.70812 2.16471 -47.90396 933.86684
3610.0000 -50.32290 -47.56714 2.75577 2.19049 -47.70153 892.38852
3615.0000 -49.08814 -46.91076 2.17738 2.27651 -47.02614 1011.88411
3620.0000 -49.82160 -47.60978 2.21182 2.20049 -47.62299 867.29356
3625.0000 -50.24114 -47.33793 2.90322 2.22788 -47.40794 894.80733
3630.0000 -50.35264 -48.76768 1.58497 2.09766 -48.43042 813.20176
3635.0000 -50.23569 -47.36662 2.86907 2.14549 -48.05483 822.88488
3640.0000 -50.16332 -48.30425 1.85907 2.19545 -47.66259 878.61917
3645.0000 -50.72690 -48.19201 2.53489 2.11592 -48.28698 821.27410
3650.0000 -50.07219 -47.64995 2.42225 2.11560 -48.28952 834.34487
3655.0000 -50.57543 -48.33982 2.23561 2.14618 -48.04947 813.25204
3660.0000 -51.25000 -48.49357 2.75642 2.07401 -48.61606 749.03030
3665.0000 -51.57206 -49.50191 2.07015 2.05139 -48.79364 772.98494
3670.0000 -51.16496 -49.26392 1.90105 2.03925 -48.88896 743.46017
3675.0000 -51.39288 -49.79332 1.59956 2.02797 -48.97754 720.88054
3680.0000 -51.64466 -49.70631 1.93835 1.92607 -49.77757 627.98610
3685.0000 -51.31944 -49.05627 2.26318 2.03728 -48.90445 746.63996
3690.0000 -50.44416 -48.90778 1.53638 2.00047 -49.19349 701.42969
3695.0000 -49.96002 -48.49384 1.46618 2.03516 -48.92110 732.96991
3700.0000 -50.25391 -48.74033 1.51359 2.07035 -48.64479 739.51893
3705.0000 -49.98801 -47.76418 2.22383 2.14537 -48.05577 766.03863
3710.0000 -49.93216 -47.48456 2.44759 2.16613 -47.89282 873.77272
3715.0000 -50.99916 -48.44576 2.55340 2.17871 -47.79406 898.33902
3720.0000 -50.87442 -48.36350 2.51092 2.10483 -48.37405 819.63658
3725.0000 -50.97339 -48.81588 2.15750 2.10708 -48.35639 827.20702
3730.0000 -52.18369 -49.72048 2.46321 1.97304 -49.40881 674.07916
3735.0000 -50.96266 -48.90198 2.06068 1.99139 -49.26477 713.43429
3740.0000 -50.65674 -48.70953 1.94721 2.07235 -48.62910 759.79989
3745.0000 -50.83323 -49.19315 1.64008 2.01047 -49.11492 685.71069
3750.0000 -51.61872 -49.84673 1.77198 1.98213 -49.33749 698.07187
FREEZING PROCESS: loop number 16 T-loop= 734.00000000000000
main_MD> interactions number 16 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48558 1.88260 -1.69568
force_rgl> df(natom) 1.73494 -0.62952 0.80176
3755.0000 -52.00545 -50.17839 1.82706 1.90997 -49.90402 595.60446
3760.0000 -51.57483 -49.50394 2.07090 1.90094 -49.97490 591.68157
3765.0000 -51.84395 -50.16957 1.67438 1.92752 -49.76626 663.96480
3770.0000 -51.88532 -50.02416 1.86116 1.92571 -49.78042 663.16993
3775.0000 -51.54714 -50.02626 1.52088 1.90393 -49.95143 578.70513
3780.0000 -52.21711 -50.05696 2.16015 1.93441 -49.71215 629.57088
3785.0000 -51.03263 -49.45802 1.57461 1.96483 -49.47326 639.60269
3790.0000 -51.11611 -49.55848 1.55763 1.89902 -49.98998 592.17987
3795.0000 -50.86681 -49.05896 1.80785 2.02470 -49.00323 722.21915
3800.0000 -50.59090 -48.21647 2.37443 2.01588 -49.07247 712.83286
3805.0000 -50.83809 -48.79387 2.04423 2.07781 -48.58624 788.22256
3810.0000 -51.22709 -49.28868 1.93841 1.96479 -49.47357 660.78100
3815.0000 -51.14370 -48.54424 2.59946 2.05754 -48.74540 805.05578
3820.0000 -50.85883 -48.88681 1.97202 2.08831 -48.50380 812.11155
3825.0000 -50.98105 -49.64453 1.33652 1.95507 -49.54993 669.99455
3830.0000 -51.22072 -48.50606 2.71466 2.00190 -49.18220 724.28004
3835.0000 -50.43113 -48.87406 1.55706 2.07161 -48.63488 805.32304
3840.0000 -51.15779 -48.95653 2.20127 2.06854 -48.65901 778.80780
3845.0000 -51.09049 -49.17105 1.91943 2.02552 -48.99682 765.00074
3850.0000 -51.61609 -48.91921 2.69688 2.03999 -48.88314 749.90616
3855.0000 -51.08859 -48.98800 2.10059 1.98765 -49.29414 684.93650
3860.0000 -50.09033 -48.23854 1.85179 2.12185 -48.24047 820.87461
3865.0000 -50.29178 -48.60942 1.68236 2.15747 -47.96082 811.49406
3870.0000 -50.92696 -49.16635 1.76061 2.05702 -48.74945 715.66671
3875.0000 -51.05819 -49.16261 1.89558 2.00326 -49.17155 686.67827
3880.0000 -51.20706 -49.76146 1.44560 1.87438 -50.18349 590.33032
3885.0000 -51.92858 -50.35665 1.57193 1.91021 -49.90212 585.96281
3890.0000 -51.20554 -49.45603 1.74951 1.92671 -49.77257 614.35671
3895.0000 -51.49114 -49.37704 2.11410 2.01715 -49.06249 719.83482
3900.0000 -51.37166 -49.82735 1.54431 1.98924 -49.28162 675.50335
3905.0000 -51.48146 -49.52988 1.95159 1.92542 -49.78268 621.97020
3910.0000 -51.63123 -49.56861 2.06262 1.94165 -49.65525 657.85743
3915.0000 -50.96970 -49.32693 1.64277 2.00494 -49.15839 651.03486
3920.0000 -51.02535 -49.23971 1.78563 2.02758 -48.98061 683.22699
3925.0000 -51.47381 -49.80987 1.66393 1.97857 -49.36537 691.62093
3930.0000 -51.70347 -50.09894 1.60453 1.91178 -49.88984 625.42660
3935.0000 -51.76335 -50.26378 1.49956 1.85110 -50.36619 533.29894
3940.0000 -51.44661 -49.56353 1.88307 1.89411 -50.02854 597.50359
3945.0000 -50.36528 -48.65209 1.71319 2.00464 -49.16075 719.77609
3950.0000 -51.02934 -48.87142 2.15793 2.07354 -48.61978 792.66215
3955.0000 -51.04555 -49.21527 1.83028 2.02734 -48.98253 692.47779
3960.0000 -51.21306 -48.60772 2.60535 2.03030 -48.95927 724.87309
3965.0000 -51.24239 -49.27384 1.96855 2.02145 -49.02876 725.77718
3970.0000 -51.31946 -49.70713 1.61233 1.93978 -49.67000 648.32337
3975.0000 -51.65336 -49.95757 1.69579 1.89903 -49.98988 608.20088
3980.0000 -51.64325 -48.75301 2.89024 1.95076 -49.58373 648.59592
3985.0000 -50.79956 -48.67407 2.12549 2.05607 -48.75695 754.18481
3990.0000 -51.40975 -49.64999 1.75976 2.04674 -48.83017 777.75468
3995.0000 -50.75487 -48.14372 2.61115 2.04572 -48.83816 724.51963
4000.0000 -50.69572 -48.86018 1.83554 2.11652 -48.28229 807.20002
FREEZING PROCESS: loop number 17 T-loop= 709.00000000000000
main_MD> interactions number 17 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61619 -1.59135 0.28824
force_rgl> df(natom) 0.60258 2.68672 0.99296
4005.0000 -50.21446 -47.90383 2.31062 2.10177 -48.39815 768.58314
4010.0000 -51.34851 -49.38992 1.95859 2.08790 -48.50702 754.62340
4015.0000 -51.91589 -50.42844 1.48745 1.84814 -50.38944 529.16707
4020.0000 -51.89664 -49.98213 1.91451 1.89441 -50.02618 583.32816
4025.0000 -51.97392 -49.79930 2.17462 1.89219 -50.04359 576.34609
4030.0000 -51.63467 -49.93462 1.70005 1.92571 -49.78044 607.11528
4035.0000 -52.14062 -50.19370 1.94693 1.88121 -50.12983 572.40542
4040.0000 -51.62794 -50.16168 1.46627 1.88580 -50.09379 551.08286
4045.0000 -51.12702 -49.15873 1.96829 1.93394 -49.71581 645.76218
4050.0000 -50.51747 -48.92996 1.58751 2.02527 -48.99872 741.01389
4055.0000 -49.80459 -47.62620 2.17839 2.16259 -47.92060 860.52582
4060.0000 -50.48741 -48.65962 1.82779 2.14499 -48.05879 782.83805
4065.0000 -50.72609 -48.73807 1.98802 2.04507 -48.84326 700.39000
4070.0000 -49.78237 -47.74027 2.04210 2.13098 -48.16874 777.80743
4075.0000 -50.70470 -47.84067 2.86403 2.15252 -47.99966 816.42035
4080.0000 -51.03869 -49.41242 1.62627 2.10434 -48.37790 854.38634
4085.0000 -51.89961 -49.91419 1.98542 1.92990 -49.74757 598.04883
4090.0000 -50.81107 -49.29425 1.51682 2.00401 -49.16567 703.28147
4095.0000 -51.01236 -48.66792 2.34444 1.99586 -49.22965 682.05642
4100.0000 -50.36267 -47.89403 2.46864 2.08230 -48.55101 783.00116
4105.0000 -51.04724 -48.62523 2.42201 2.09366 -48.46181 781.17386
4110.0000 -50.52393 -48.32801 2.19592 2.07885 -48.57810 787.70380
4115.0000 -50.79731 -48.13578 2.66153 2.10844 -48.34574 813.60821
4120.0000 -51.20622 -48.96164 2.24458 2.04032 -48.88054 760.97009
4125.0000 -50.47493 -47.81351 2.66142 2.10493 -48.37334 827.41018
4130.0000 -51.33137 -48.14928 3.18208 2.14084 -48.09138 836.20105
4135.0000 -51.28895 -48.96411 2.32484 2.05916 -48.73267 749.83725
4140.0000 -51.41217 -49.73097 1.68121 1.98942 -49.28019 686.36979
4145.0000 -51.43628 -49.64784 1.78845 1.91501 -49.86446 621.28041
4150.0000 -51.42914 -49.39892 2.03022 1.96543 -49.46858 671.39112
4155.0000 -50.93877 -48.58222 2.35655 2.02896 -48.96979 757.55204
4160.0000 -51.52421 -48.89404 2.63018 2.10104 -48.40381 806.10640
4165.0000 -50.59332 -49.01025 1.58307 2.06112 -48.71730 787.59688
4170.0000 -51.20986 -48.94534 2.26452 2.04193 -48.86795 750.04886
4175.0000 -50.74926 -49.33592 1.41334 1.99258 -49.25543 689.22046
4180.0000 -50.50087 -48.08187 2.41900 2.05154 -48.79250 771.41986
4185.0000 -49.99768 -48.44468 1.55299 2.13841 -48.11041 812.95490
4190.0000 -50.75731 -48.65280 2.10451 2.07312 -48.62304 782.36444
4195.0000 -51.06433 -48.80221 2.26212 2.02645 -48.98951 752.05267
4200.0000 -50.88702 -48.89052 1.99649 2.06007 -48.72553 753.98900
4205.0000 -50.76816 -48.68169 2.08648 2.07890 -48.57764 805.00822
4210.0000 -51.10530 -49.25372 1.85157 1.98120 -49.34472 671.26780
4215.0000 -51.36454 -49.43216 1.93239 1.98162 -49.34150 645.32888
4220.0000 -50.99907 -49.17756 1.82151 1.97273 -49.41128 693.47539
4225.0000 -51.10731 -49.01634 2.09096 2.05503 -48.76508 754.89726
4230.0000 -50.92196 -48.71361 2.20835 2.06360 -48.69780 725.81490
4235.0000 -50.20897 -48.31777 1.89119 2.08853 -48.50209 726.73227
4240.0000 -50.89320 -48.29181 2.60138 2.15849 -47.95280 848.08163
4245.0000 -50.83957 -48.74030 2.09927 2.07501 -48.60820 792.47866
4250.0000 -50.47869 -47.92540 2.55329 2.12175 -48.24123 788.02637
FREEZING PROCESS: loop number 18 T-loop= 684.00000000000000
main_MD> interactions number 18 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.32720 1.34076 -0.53472
force_rgl> df(natom) -2.10085 1.21060 -0.44390
4255.0000 -51.25072 -49.29398 1.95674 2.04744 -48.82467 792.90149
4260.0000 -51.12372 -48.92777 2.19596 2.03953 -48.88680 759.07672
4265.0000 -51.02495 -49.41376 1.61118 1.97990 -49.35493 701.21326
4270.0000 -51.17250 -48.92128 2.25122 1.97340 -49.40600 672.90380
4275.0000 -51.23711 -49.02569 2.21142 2.05053 -48.80038 799.76784
4280.0000 -50.90501 -49.11817 1.78684 2.05994 -48.72654 759.57768
4285.0000 -51.57762 -50.35666 1.22096 1.92136 -49.81457 636.97314
4290.0000 -51.49407 -49.87622 1.61784 1.90036 -49.97949 599.77079
4295.0000 -51.70218 -49.58789 2.11429 1.90963 -49.90665 618.32914
4300.0000 -51.00094 -49.48450 1.51644 1.97354 -49.40492 668.29723
4305.0000 -50.92043 -48.65072 2.26971 2.04281 -48.86104 784.99942
4310.0000 -51.43957 -49.02649 2.41309 2.00948 -49.12275 719.23441
4315.0000 -50.76194 -48.87477 1.88717 1.98358 -49.32607 645.95907
4320.0000 -51.39954 -49.74540 1.65414 1.97560 -49.38875 646.27166
4325.0000 -51.01549 -48.83027 2.18522 1.98716 -49.29797 703.86059
4330.0000 -51.43812 -49.39531 2.04280 1.96127 -49.50123 658.79601
4335.0000 -50.78087 -48.80461 1.97625 2.05424 -48.77127 777.93278
4340.0000 -50.70360 -48.91535 1.78824 2.08261 -48.54852 727.88440
4345.0000 -51.59376 -49.44781 2.14595 1.99998 -49.19730 698.92976
4350.0000 -52.10535 -50.60917 1.49618 1.85426 -50.34142 568.06089
4355.0000 -51.23317 -49.70683 1.52634 1.89310 -50.03651 581.42400
4360.0000 -52.21158 -50.21844 1.99315 1.89749 -50.00199 605.51495
4365.0000 -51.46083 -49.40341 2.05741 1.94197 -49.65274 627.30614
4370.0000 -51.57332 -49.72541 1.84791 1.99281 -49.25359 697.72378
4375.0000 -51.02524 -49.14086 1.88438 1.97881 -49.36354 680.33101
4380.0000 -50.52659 -48.70972 1.81687 2.02546 -48.99726 767.22799
4385.0000 -51.05746 -49.53023 1.52723 2.01738 -49.06069 670.28115
4390.0000 -51.40579 -49.41424 1.99155 1.97612 -49.38467 630.30153
4395.0000 -50.79664 -47.81714 2.97951 2.13687 -48.12253 786.51164
4400.0000 -50.64587 -48.48344 2.16243 2.10428 -48.37844 797.31886
4405.0000 -50.62178 -48.60457 2.01722 2.12962 -48.17943 865.80575
4410.0000 -51.40532 -49.51089 1.89443 2.01145 -49.10722 722.15991
4415.0000 -51.06613 -49.44820 1.61793 1.99332 -49.24957 723.96274
4420.0000 -51.35748 -49.74639 1.61109 1.90819 -49.91802 590.25050
4425.0000 -50.49065 -49.37747 1.11317 1.97781 -49.37135 667.77837
4430.0000 -50.39237 -48.88904 1.50333 1.99267 -49.25470 671.07575
4435.0000 -51.55747 -49.33135 2.22613 2.01732 -49.06120 751.49247
4440.0000 -52.08299 -50.39915 1.68384 1.93697 -49.69203 656.86569
4445.0000 -51.33226 -49.51637 1.81589 1.91956 -49.82869 628.99226
4450.0000 -51.47224 -49.24367 2.22858 1.89907 -49.98957 588.12211
4455.0000 -51.02380 -48.90370 2.12009 2.02097 -49.03249 737.47564
4460.0000 -51.54007 -49.20740 2.33266 2.03116 -48.95251 760.98984
4465.0000 -51.43363 -49.34962 2.08402 1.96238 -49.49253 639.68880
4470.0000 -50.51202 -49.13357 1.37845 2.03141 -48.95053 703.96206
4475.0000 -51.31186 -49.33788 1.97398 2.00909 -49.12582 742.74642
4480.0000 -51.51157 -49.45991 2.05166 1.99419 -49.24273 717.70568
4485.0000 -51.34482 -49.57373 1.77109 1.94340 -49.64153 660.35401
4490.0000 -51.71105 -50.14309 1.56795 1.91596 -49.85702 623.89578
4495.0000 -50.50005 -48.76986 1.73019 1.97845 -49.36632 693.12949
4500.0000 -50.86631 -48.39953 2.46678 2.06667 -48.67366 758.76785
FREEZING PROCESS: loop number 19 T-loop= 659.00000000000000
main_MD> interactions number 19 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.10455 1.27869 -2.38120
force_rgl> df(natom) -2.37320 -0.44139 2.48611
4505.0000 -50.87116 -48.78128 2.08988 2.07558 -48.60378 758.06672
4510.0000 -51.83556 -49.61523 2.22033 1.98208 -49.33783 719.76456
4515.0000 -51.68199 -50.02908 1.65292 1.96009 -49.51049 700.92333
4520.0000 -51.23650 -49.85967 1.37682 1.89494 -50.02205 616.99182
4525.0000 -51.44179 -49.48685 1.95493 1.95175 -49.57597 615.33359
4530.0000 -51.23643 -49.07543 2.16100 1.93980 -49.66979 601.72365
4535.0000 -50.66839 -49.11340 1.55499 1.97937 -49.35914 702.88197
4540.0000 -50.85680 -49.25457 1.60223 1.99082 -49.26920 706.06487
4545.0000 -51.97587 -50.11400 1.86187 1.90146 -49.97086 590.17584
4550.0000 -51.37380 -49.50607 1.86774 1.92197 -49.80981 594.31058
4555.0000 -51.33821 -49.43945 1.89877 1.94154 -49.65611 657.86077
4560.0000 -51.10775 -49.47295 1.63480 1.93343 -49.71979 634.72707
4565.0000 -51.12024 -48.93442 2.18582 2.01247 -49.09928 702.14537
4570.0000 -50.84657 -48.76547 2.08110 2.07889 -48.57777 766.85986
4575.0000 -51.19215 -49.92214 1.27001 1.98286 -49.33174 675.23966
4580.0000 -51.48778 -49.70724 1.78054 1.90770 -49.92180 615.40914
4585.0000 -51.65155 -50.00455 1.64701 1.94817 -49.60409 672.36212
4590.0000 -52.11708 -50.23890 1.87818 1.86534 -50.25442 573.94898
4595.0000 -51.58827 -49.45871 2.12956 1.96454 -49.47558 664.84025
4600.0000 -50.92866 -49.20035 1.72831 1.96800 -49.44843 670.01101
4605.0000 -51.56097 -50.32019 1.24078 1.93707 -49.69122 631.20227
4610.0000 -51.58460 -49.90997 1.67463 1.83131 -50.52163 531.71383
4615.0000 -51.84175 -49.71637 2.12538 1.91474 -49.86654 617.30074
4620.0000 -51.70994 -50.10296 1.60698 1.92135 -49.81469 654.84848
4625.0000 -51.16221 -49.27551 1.88669 1.94242 -49.64920 625.87231
4630.0000 -50.74326 -48.73507 2.00820 2.00224 -49.17958 713.86505
4635.0000 -51.37767 -50.09397 1.28370 1.98039 -49.35110 656.05645
4640.0000 -51.78723 -50.46835 1.31888 1.89253 -50.04093 564.23004
4645.0000 -51.64701 -50.07883 1.56818 1.87260 -50.19739 574.31655
4650.0000 -52.23165 -50.68838 1.54327 1.87276 -50.19615 553.67379
4655.0000 -51.54043 -49.72744 1.81300 1.84570 -50.40863 530.98415
4660.0000 -51.72174 -49.93490 1.78684 1.93600 -49.69968 644.04978
4665.0000 -50.90883 -49.59506 1.31376 1.97312 -49.40821 678.01442
4670.0000 -50.28667 -48.80350 1.48317 2.04580 -48.83758 759.03200
4675.0000 -51.38147 -49.76223 1.61924 2.04555 -48.83953 729.65279
4680.0000 -51.90036 -49.76510 2.13526 1.92408 -49.79327 630.49272
4685.0000 -51.52555 -49.72020 1.80535 1.95707 -49.53420 660.96538
4690.0000 -51.89812 -49.65213 2.24600 1.92265 -49.80445 637.46038
4695.0000 -51.15911 -49.66061 1.49850 1.95196 -49.57437 636.19212
4700.0000 -51.28384 -49.70324 1.58059 1.93517 -49.70619 634.73575
4705.0000 -51.16654 -49.15022 2.01632 1.95226 -49.57197 679.73034
4710.0000 -50.84066 -49.28057 1.56008 2.01714 -49.06259 742.74247
4715.0000 -51.44551 -49.65751 1.78800 1.95450 -49.55438 636.10481
4720.0000 -51.32084 -49.77071 1.55013 1.93888 -49.67704 660.49381
4725.0000 -51.92287 -50.20705 1.71582 1.91766 -49.84364 641.59039
4730.0000 -51.67349 -50.04452 1.62896 1.89331 -50.03481 587.01368
4735.0000 -51.07017 -49.11123 1.95894 1.98081 -49.34781 655.68390
4740.0000 -50.93986 -49.48761 1.45225 1.97599 -49.38568 639.14859
4745.0000 -51.35324 -48.94971 2.40353 2.00370 -49.16813 622.63850
4750.0000 -51.79229 -49.84151 1.95078 1.98796 -49.29172 688.17404
FREEZING PROCESS: loop number 20 T-loop= 634.00000000000000
main_MD> interactions number 20 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.16215 0.18232 1.41427
force_rgl> df(natom) -3.98137 1.38340 2.50537
4755.0000 -51.62288 -49.70330 1.91958 1.93431 -49.71294 607.25037
4760.0000 -51.94873 -50.06083 1.88790 1.91964 -49.82808 625.10198
4765.0000 -51.74107 -50.17482 1.56625 1.86731 -50.23895 546.47146
4770.0000 -51.71884 -50.15195 1.56690 1.90076 -49.97631 569.69014
4775.0000 -51.35088 -50.09619 1.25468 1.88634 -50.08954 571.41071
4780.0000 -50.76960 -48.81449 1.95510 1.96574 -49.46613 706.70152
4785.0000 -51.23941 -49.18117 2.05824 1.99860 -49.20812 732.00113
4790.0000 -51.10344 -49.33505 1.76839 1.97547 -49.38974 655.47668
4795.0000 -51.72104 -50.36709 1.35395 1.90283 -49.96005 584.52611
4800.0000 -51.02055 -49.52155 1.49901 1.89872 -49.99233 575.69607
4805.0000 -51.76771 -49.32691 2.44080 2.02600 -48.99299 714.46214
4810.0000 -51.87713 -49.95286 1.92427 1.95732 -49.53222 669.68718
4815.0000 -51.80789 -49.98343 1.82446 1.88334 -50.11308 579.10647
4820.0000 -51.69745 -50.23734 1.46011 1.89566 -50.01634 635.20800
4825.0000 -51.26411 -49.42513 1.83897 1.90793 -49.92004 597.51556
4830.0000 -51.29535 -49.59599 1.69936 1.95514 -49.54937 642.77652
4835.0000 -50.78150 -49.27547 1.50603 1.93291 -49.72392 619.03716
4840.0000 -50.63728 -48.68248 1.95480 2.02484 -49.00213 699.17374
4845.0000 -50.86781 -48.95084 1.91698 2.06997 -48.64781 732.22837
4850.0000 -51.15064 -48.94279 2.20785 2.03579 -48.91611 751.59385
4855.0000 -51.61660 -49.29090 2.32569 2.00155 -49.18500 729.66778
4860.0000 -51.75815 -48.81905 2.93910 1.98754 -49.29496 722.20230
4865.0000 -51.90179 -49.89437 2.00742 1.94982 -49.59110 703.19589
4870.0000 -51.24317 -49.63048 1.61269 1.90875 -49.91358 649.43575
4875.0000 -51.84051 -49.82478 2.01573 1.93853 -49.67977 654.91881
4880.0000 -51.78287 -49.92305 1.85982 1.88167 -50.12618 538.29838
4885.0000 -52.03768 -50.63245 1.40523 1.88914 -50.06756 602.63728
4890.0000 -51.99840 -50.36285 1.63554 1.81838 -50.62313 510.42529
4895.0000 -51.80781 -50.39734 1.41047 1.85587 -50.32878 552.36944
4900.0000 -51.90080 -50.13286 1.76794 1.87614 -50.16965 591.08666
4905.0000 -52.09188 -50.15644 1.93544 1.85637 -50.32485 547.38221
4910.0000 -51.72957 -50.62982 1.09975 1.88710 -50.08360 587.81012
4915.0000 -52.15845 -50.31645 1.84201 1.83733 -50.47432 542.65976
4920.0000 -51.63807 -49.92941 1.70866 1.87214 -50.20102 581.02381
4925.0000 -51.59806 -49.79306 1.80501 1.91178 -49.88978 620.15827
4930.0000 -51.53401 -49.62631 1.90770 1.94018 -49.66682 641.97345
4935.0000 -51.35824 -49.82023 1.53802 1.95730 -49.53242 640.35335
4940.0000 -51.33642 -49.92694 1.40948 1.90768 -49.92203 584.74482
4945.0000 -50.91942 -49.31334 1.60608 1.93025 -49.74482 645.34488
4950.0000 -52.05598 -50.42558 1.63040 1.93122 -49.73720 632.18655
4955.0000 -51.35867 -49.62463 1.73404 1.89775 -49.99999 588.48035
4960.0000 -51.76348 -50.04042 1.72306 1.92026 -49.82323 589.92810
4965.0000 -51.48708 -49.86628 1.62080 1.90468 -49.94554 592.08322
4970.0000 -50.81657 -49.25908 1.55750 1.98761 -49.29444 713.60516
4975.0000 -51.65920 -50.07355 1.58565 1.93724 -49.68989 636.42696
4980.0000 -52.19732 -50.37699 1.82034 1.89033 -50.05821 598.43586
4985.0000 -52.00737 -50.06296 1.94441 1.88651 -50.08822 581.68991
4990.0000 -52.31547 -50.47495 1.84052 1.87189 -50.20300 593.14358
4995.0000 -51.21208 -49.25385 1.95824 1.86216 -50.27937 551.19552
5000.0000 -51.30834 -49.36592 1.94242 1.97623 -49.38381 684.51570
FREEZING PROCESS: loop number 21 T-loop= 609.00000000000000
main_MD> interactions number 21 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24407 2.49939 0.78408
force_rgl> df(natom) 0.26588 -2.74004 -2.05402
5005.0000 -51.68633 -49.77624 1.91009 1.94006 -49.66779 611.36365
5010.0000 -51.14299 -49.73635 1.40664 1.91005 -49.90336 573.54827
5015.0000 -51.96422 -49.74561 2.21861 1.90774 -49.92151 626.51141
5020.0000 -52.21515 -50.41977 1.79538 1.86888 -50.22666 581.98905
5025.0000 -52.47899 -50.79526 1.68373 1.86381 -50.26645 577.91193
5030.0000 -51.73812 -49.84797 1.89015 1.85283 -50.35261 542.41899
5035.0000 -51.31700 -49.19268 2.12432 1.94026 -49.66618 663.35890
5040.0000 -51.18115 -49.62881 1.55234 1.93476 -49.70940 621.03175
5045.0000 -51.97862 -50.40194 1.57668 1.90155 -49.97016 599.22680
5050.0000 -51.13795 -49.38177 1.75618 1.90350 -49.95483 627.36992
5055.0000 -51.56234 -49.88045 1.68189 1.91343 -49.87684 597.25516
5060.0000 -51.98447 -50.23440 1.75007 1.88126 -50.12946 600.51599
5065.0000 -51.72352 -50.01825 1.70527 1.93622 -49.69790 627.07673
5070.0000 -51.35455 -49.22850 2.12604 1.95433 -49.55569 643.99126
5075.0000 -51.11991 -49.65393 1.46597 1.98696 -49.29954 690.16452
5080.0000 -51.55666 -50.39399 1.16268 1.88934 -50.06601 562.41797
5085.0000 -52.41493 -51.02481 1.39012 1.80321 -50.74227 490.52838
5090.0000 -51.71775 -50.18541 1.53234 1.85034 -50.37223 549.86337
5095.0000 -51.59356 -49.98879 1.60476 1.90205 -49.96623 600.77954
5100.0000 -51.53681 -49.27727 2.25954 1.96304 -49.48733 656.38104
5105.0000 -51.11734 -49.58424 1.53310 1.91451 -49.86836 638.28945
5110.0000 -51.82987 -50.51770 1.31217 1.91068 -49.89848 567.18333
5115.0000 -51.61901 -49.96035 1.65866 1.86152 -50.28444 545.57629
5120.0000 -51.91889 -50.63872 1.28017 1.89525 -50.01958 596.90962
5125.0000 -51.91264 -50.37405 1.53859 1.81372 -50.65974 535.19887
5130.0000 -52.13359 -50.41226 1.72133 1.84472 -50.41635 547.22819
5135.0000 -51.92422 -49.99636 1.92786 1.88032 -50.13682 582.77332
5140.0000 -51.52559 -49.64375 1.88183 1.92053 -49.82111 632.76600
5145.0000 -51.48326 -49.65572 1.82754 1.92223 -49.80776 644.38327
5150.0000 -51.95870 -50.50710 1.45161 1.88097 -50.13168 586.09662
5155.0000 -51.68660 -49.87621 1.81039 1.89584 -50.01499 591.06386
5160.0000 -52.20150 -49.93033 2.27116 1.94949 -49.59374 660.47118
5165.0000 -51.59989 -50.28773 1.31216 1.91238 -49.88506 613.20865
5170.0000 -51.65622 -49.49390 2.16233 1.89200 -50.04507 592.63182
5175.0000 -52.09322 -50.42516 1.66806 1.95157 -49.57739 678.78512
5180.0000 -51.60847 -50.07543 1.53304 1.87762 -50.15800 594.68678
5185.0000 -52.39139 -50.58980 1.80159 1.87171 -50.20440 579.19979
5190.0000 -51.96184 -50.73054 1.23130 1.82735 -50.55269 509.88866
5195.0000 -50.87036 -49.39139 1.47897 1.86842 -50.23026 561.56848
5200.0000 -51.25988 -49.53902 1.72087 1.94185 -49.65374 641.29094
5205.0000 -51.26467 -49.54719 1.71748 1.95416 -49.55708 655.84554
5210.0000 -51.36114 -49.64013 1.72101 1.93507 -49.70694 623.82249
5215.0000 -51.67366 -49.63901 2.03465 1.93168 -49.73354 650.22536
5220.0000 -51.07610 -49.70327 1.37283 1.92433 -49.79125 611.33458
5225.0000 -51.51475 -50.26017 1.25458 1.88304 -50.11546 541.62241
5230.0000 -51.37308 -49.40037 1.97271 1.91426 -49.87035 609.80589
5235.0000 -51.51537 -49.42138 2.09399 1.97781 -49.37136 644.38655
5240.0000 -51.67440 -49.58756 2.08683 1.95803 -49.52668 645.48455
5245.0000 -51.34342 -48.98214 2.36128 1.98152 -49.34222 693.64785
5250.0000 -51.53009 -49.44186 2.08824 1.99659 -49.22396 700.75442
FREEZING PROCESS: loop number 22 T-loop= 584.00000000000000
main_MD> interactions number 22 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.77162 2.30527 -0.42435
force_rgl> df(natom) 1.93888 -0.98806 -0.24153
5255.0000 -51.74782 -50.05060 1.69722 1.94396 -49.63714 656.91038
5260.0000 -51.65734 -50.15621 1.50113 1.88832 -50.07397 574.99157
5265.0000 -51.91420 -50.42354 1.49065 1.86114 -50.28736 546.24140
5270.0000 -51.45317 -49.44963 2.00355 1.89457 -50.02491 579.22621
5275.0000 -51.27159 -49.16976 2.10182 1.94824 -49.60350 665.42670
5280.0000 -52.01886 -50.03868 1.98018 1.92436 -49.79106 621.93202
5285.0000 -51.56414 -50.11504 1.44910 1.86641 -50.24601 560.31502
5290.0000 -52.09812 -50.59624 1.50188 1.82233 -50.59208 515.54545
5295.0000 -52.05471 -50.59871 1.45600 1.82245 -50.59119 510.39878
5300.0000 -52.03618 -50.27799 1.75819 1.86441 -50.26171 564.62319
5305.0000 -51.71097 -50.41894 1.29203 1.85710 -50.31911 564.42300
5310.0000 -51.61424 -49.88807 1.72617 1.87845 -50.15152 570.46269
5315.0000 -51.63259 -49.75427 1.87833 1.93876 -49.67797 666.22206
5320.0000 -51.66332 -49.86032 1.80300 1.86218 -50.27924 552.79788
5325.0000 -51.63355 -49.80973 1.82382 1.94875 -49.59952 652.18887
5330.0000 -51.99512 -50.31938 1.67573 1.90393 -49.95148 608.25940
5335.0000 -52.34508 -50.48933 1.85575 1.83852 -50.46502 539.72321
5340.0000 -51.18177 -49.35853 1.82324 1.89204 -50.04480 580.70902
5345.0000 -51.30126 -49.87101 1.43025 1.94533 -49.62636 632.68040
5350.0000 -51.66902 -49.89009 1.77893 1.91784 -49.84224 570.09418
5355.0000 -52.19227 -50.63868 1.55359 1.84075 -50.44749 507.51115
5360.0000 -51.84926 -50.00271 1.84655 1.82053 -50.60628 502.54175
5365.0000 -51.72128 -50.31067 1.41061 1.85265 -50.35409 535.04866
5370.0000 -52.60309 -51.10884 1.49425 1.81111 -50.68020 501.97767
5375.0000 -52.17142 -50.14618 2.02524 1.83471 -50.49495 559.27270
5380.0000 -51.24978 -49.78023 1.46955 1.91241 -49.88485 613.79683
5385.0000 -51.39999 -50.04672 1.35327 1.90802 -49.91934 606.41006
5390.0000 -51.55104 -49.74410 1.80694 1.89745 -50.00229 602.21574
5395.0000 -51.59593 -50.15101 1.44493 1.88525 -50.09808 588.37785
5400.0000 -51.57071 -50.17204 1.39867 1.90078 -49.97620 617.47401
5405.0000 -51.74211 -50.13792 1.60419 1.85955 -50.29990 577.23460
5410.0000 -51.90311 -50.09360 1.80951 1.88740 -50.08126 595.82917
5415.0000 -52.06290 -50.11115 1.95175 1.85643 -50.32438 556.23917
5420.0000 -52.02843 -50.25663 1.77180 1.88225 -50.12163 579.10980
5425.0000 -51.77129 -49.91749 1.85380 1.86356 -50.26840 576.92184
5430.0000 -51.00591 -49.13488 1.87103 1.94907 -49.59702 676.19328
5435.0000 -51.43121 -49.43714 1.99407 1.98838 -49.28838 702.84781
5440.0000 -51.71075 -50.06496 1.64579 1.96722 -49.45454 684.18355
5445.0000 -50.94838 -49.59659 1.35179 1.91975 -49.82727 645.31307
5450.0000 -50.73275 -48.51968 2.21306 1.99139 -49.26472 662.03776
5455.0000 -51.09397 -49.62992 1.46405 2.02682 -48.98655 687.02209
5460.0000 -51.56125 -49.26705 2.29419 1.96639 -49.46106 676.95438
5465.0000 -51.69437 -49.55989 2.13448 1.93461 -49.71054 638.74536
5470.0000 -51.84361 -49.85855 1.98506 1.92697 -49.77054 624.48616
5475.0000 -51.86242 -50.18440 1.67802 1.89225 -50.04317 615.26808
5480.0000 -52.04053 -50.78262 1.25790 1.84734 -50.39575 533.16021
5485.0000 -52.31843 -50.46595 1.85248 1.82505 -50.57079 509.36894
5490.0000 -52.01641 -50.38528 1.63113 1.85246 -50.35552 568.86885
5495.0000 -51.69352 -50.23639 1.45713 1.85077 -50.36883 540.17305
5500.0000 -52.10081 -50.85180 1.24901 1.91400 -49.87236 642.41829
FREEZING PROCESS: loop number 23 T-loop= 559.00000000000000
main_MD> interactions number 23 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45632 1.16516 0.30304
force_rgl> df(natom) -1.41680 -1.10222 -2.13837
5505.0000 -52.60112 -51.15120 1.44992 1.76575 -51.03631 464.25340
5510.0000 -51.23109 -49.98612 1.24498 1.88936 -50.06585 559.68622
5515.0000 -51.96647 -50.43618 1.53030 1.86990 -50.21866 571.13551
5520.0000 -51.82357 -50.12794 1.69563 1.84552 -50.41006 556.46843
5525.0000 -52.55198 -50.48792 2.06405 1.84226 -50.43560 531.78214
5530.0000 -52.02598 -50.47521 1.55077 1.85593 -50.32830 529.04816
5535.0000 -52.13253 -50.54812 1.58441 1.83952 -50.45718 512.29402
5540.0000 -51.70572 -50.02133 1.68439 1.86294 -50.27325 552.84969
5545.0000 -51.41843 -49.61174 1.80669 1.94083 -49.66174 669.11717
5550.0000 -51.67394 -49.68655 1.98739 1.92682 -49.77173 626.05493
5555.0000 -51.92442 -50.32467 1.59975 1.89602 -50.01354 609.04655
5560.0000 -51.92443 -50.36008 1.56435 1.89020 -50.05926 584.42183
5565.0000 -51.43875 -50.01205 1.42670 1.86111 -50.28760 576.08801
5570.0000 -51.54712 -50.28131 1.26582 1.86196 -50.28097 542.81977
5575.0000 -51.95150 -50.46330 1.48820 1.88391 -50.10861 552.47623
5580.0000 -51.66790 -49.91548 1.75242 1.84984 -50.37615 511.32780
5585.0000 -52.08089 -50.54775 1.53314 1.91383 -49.87372 594.53420
5590.0000 -51.60931 -50.17838 1.43093 1.87389 -50.18732 531.25865
5595.0000 -51.80653 -50.26717 1.53936 1.89300 -50.03726 561.92529
5600.0000 -52.45453 -50.58836 1.86617 1.85748 -50.31612 567.50231
5605.0000 -51.58951 -50.42818 1.16133 1.84542 -50.41085 531.14234
5610.0000 -51.69951 -49.97426 1.72525 1.86480 -50.25869 552.15469
5615.0000 -51.89311 -50.70834 1.18478 1.85008 -50.37425 545.47139
5620.0000 -51.94885 -50.29201 1.65683 1.83145 -50.52050 519.31934
5625.0000 -51.45666 -49.81314 1.64352 1.87067 -50.21256 591.16533
5630.0000 -51.72898 -49.59135 2.13763 1.95194 -49.57451 642.83872
5635.0000 -52.22893 -50.49768 1.73126 1.89363 -50.03233 600.61763
5640.0000 -52.18393 -50.39593 1.78800 1.79749 -50.78711 495.35728
5645.0000 -52.07695 -50.78683 1.29012 1.84039 -50.45033 533.56569
5650.0000 -51.95133 -50.33112 1.62021 1.81829 -50.62384 508.70422
5655.0000 -51.89913 -50.01799 1.88114 1.86293 -50.27334 563.28216
5660.0000 -51.20263 -49.18880 2.01382 1.93117 -49.73760 626.35563
5665.0000 -51.07352 -49.27193 1.80160 1.97334 -49.40644 644.63262
5670.0000 -51.80590 -50.06522 1.74068 1.97239 -49.41392 655.43280
5675.0000 -51.43688 -50.28581 1.15108 1.84959 -50.37806 540.94092
5680.0000 -51.33283 -49.51015 1.82268 1.92142 -49.81413 621.03548
5685.0000 -51.20375 -49.68200 1.52175 1.96407 -49.47922 659.70311
5690.0000 -51.16403 -49.66876 1.49527 1.91673 -49.85096 603.90915
5695.0000 -51.34631 -49.53464 1.81167 1.97230 -49.41462 658.58780
5700.0000 -51.49164 -49.84076 1.65088 1.91680 -49.85038 590.01008
5705.0000 -51.48286 -49.85229 1.63057 1.91995 -49.82567 614.24563
5710.0000 -52.05678 -50.51462 1.54216 1.87433 -50.18387 574.59993
5715.0000 -51.74309 -50.16872 1.57437 1.85073 -50.36913 552.82885
5720.0000 -51.62693 -49.72617 1.90076 1.90429 -49.94862 624.77538
5725.0000 -51.85682 -50.44542 1.41139 1.86458 -50.26043 547.71594
5730.0000 -52.19085 -50.40366 1.78720 1.80509 -50.72751 505.88952
5735.0000 -51.71385 -50.17412 1.53973 1.85999 -50.29640 555.14886
5740.0000 -51.65793 -50.24389 1.41404 1.84179 -50.43932 537.60328
5745.0000 -51.75752 -50.10830 1.64922 1.86204 -50.28036 546.77405
5750.0000 -51.75268 -49.83225 1.92043 1.91079 -49.89760 628.91675
FREEZING PROCESS: loop number 24 T-loop= 534.00000000000000
main_MD> interactions number 24 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07353 0.55403 -1.23670
force_rgl> df(natom) -1.09450 -0.91079 -0.84842
5755.0000 -51.98611 -50.58325 1.40287 1.84382 -50.42335 545.83911
5760.0000 -52.67218 -51.49010 1.18208 1.76719 -51.02501 450.11253
5765.0000 -52.28264 -51.36493 0.91771 1.74555 -51.19497 411.79269
5770.0000 -52.06038 -50.58726 1.47312 1.73693 -51.26265 388.02884
5775.0000 -51.92757 -50.19416 1.73342 1.84649 -50.40245 559.65883
5780.0000 -52.21038 -50.68996 1.52043 1.84291 -50.43054 556.82576
5785.0000 -52.15638 -50.93063 1.22575 1.76945 -51.00727 464.16757
5790.0000 -51.97438 -50.71492 1.25946 1.77889 -50.93320 478.82590
5795.0000 -52.03359 -51.03587 0.99772 1.82006 -50.60995 520.01364
5800.0000 -52.21780 -51.09806 1.11975 1.76872 -51.01302 431.50553
5805.0000 -51.61061 -50.14477 1.46584 1.87008 -50.21717 545.24201
5810.0000 -51.57603 -49.73577 1.84026 1.91382 -49.87377 626.09045
5815.0000 -51.41999 -49.29383 2.12616 1.91123 -49.89410 626.69681
5820.0000 -51.93779 -49.84985 2.08794 1.92429 -49.79160 601.57494
5825.0000 -51.65939 -50.24995 1.40943 1.87671 -50.16519 572.03775
5830.0000 -51.18862 -49.85515 1.33347 1.91512 -49.86358 618.26176
5835.0000 -51.53656 -49.78012 1.75643 1.93321 -49.72152 600.07913
5840.0000 -51.74366 -50.67656 1.06710 1.86045 -50.29282 510.95590
5845.0000 -52.25257 -51.00164 1.25093 1.78044 -50.92105 460.27508
5850.0000 -51.81816 -50.73441 1.08375 1.77245 -50.98377 444.89548
5855.0000 -52.44448 -50.76367 1.68082 1.80134 -50.75695 479.22893
5860.0000 -52.57037 -50.77673 1.79364 1.83277 -50.51015 546.70485
5865.0000 -52.39452 -50.89814 1.49638 1.80590 -50.72111 507.76707
5870.0000 -52.19820 -50.72131 1.47689 1.78599 -50.87740 427.68278
5875.0000 -51.77140 -50.44253 1.32886 1.85565 -50.33054 548.56512
5880.0000 -51.50194 -49.46944 2.03249 1.88267 -50.11833 580.67938
5885.0000 -52.02212 -50.46418 1.55794 1.89222 -50.04341 625.02368
5890.0000 -51.48317 -49.36425 2.11893 1.87314 -50.19319 553.55185
5895.0000 -51.51048 -50.30801 1.20246 1.93623 -49.69784 651.79160
5900.0000 -51.52178 -50.07725 1.44453 1.89010 -50.06004 552.19790
5905.0000 -51.97623 -50.15281 1.82341 1.85641 -50.32452 560.31796
5910.0000 -52.10347 -49.84017 2.26330 1.87272 -50.19646 560.16398
5915.0000 -51.48552 -50.10376 1.38176 1.89005 -50.06044 597.39289
5920.0000 -51.36548 -49.77515 1.59033 1.89037 -50.05789 562.62921
5925.0000 -51.34485 -50.06204 1.28282 1.90955 -49.90729 533.56482
5930.0000 -51.62794 -49.95754 1.67039 1.91639 -49.85359 536.58189
5935.0000 -51.13173 -49.42210 1.70963 1.93348 -49.71944 594.70858
5940.0000 -52.27170 -50.94599 1.32571 1.88733 -50.08176 607.58145
5945.0000 -51.96642 -50.39491 1.57151 1.81253 -50.66908 485.30063
5950.0000 -51.81059 -50.02951 1.78108 1.84428 -50.41980 544.59451
5955.0000 -52.31666 -50.32389 1.99277 1.87516 -50.17729 566.36525
5960.0000 -51.87418 -50.41298 1.46119 1.85965 -50.29913 537.79761
5965.0000 -51.67738 -50.05935 1.61803 1.86582 -50.25069 549.10074
5970.0000 -51.54095 -49.75363 1.78732 1.85415 -50.34226 549.06613
5975.0000 -51.40769 -49.83393 1.57375 1.92433 -49.79123 618.27592
5980.0000 -51.52186 -49.92063 1.60123 1.88966 -50.06344 554.63367
5985.0000 -52.12721 -50.69788 1.42933 1.89408 -50.02877 611.09520
5990.0000 -52.17462 -50.81606 1.35856 1.79492 -50.80730 484.16601
5995.0000 -51.56146 -50.12104 1.44042 1.81790 -50.62688 480.49199
6000.0000 -51.39558 -49.87020 1.52538 1.86019 -50.29485 544.00580
FREEZING PROCESS: loop number 25 T-loop= 509.00000000000000
main_MD> interactions number 25 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.99307 -0.37954 -0.61926
force_rgl> df(natom) 6.15036 -1.45069 -0.60830
6005.0000 -51.23330 -49.62250 1.61080 1.92029 -49.82299 642.89823
6010.0000 -51.56083 -50.04194 1.51889 1.92970 -49.74910 637.19071
6015.0000 -52.30904 -50.69128 1.61776 1.82642 -50.55996 516.31158
6020.0000 -52.24791 -50.87340 1.37452 1.80693 -50.71306 487.60068
6025.0000 -51.74239 -49.95699 1.78540 1.80042 -50.76411 502.59873
6030.0000 -52.09414 -50.57293 1.52121 1.88543 -50.09672 586.77277
6035.0000 -52.04097 -50.78277 1.25819 1.77838 -50.93721 468.54718
6040.0000 -52.00810 -50.44995 1.55815 1.81679 -50.63558 515.70600
6045.0000 -51.87857 -50.29932 1.57925 1.85327 -50.34922 533.71095
6050.0000 -52.14745 -50.58845 1.55900 1.86621 -50.24761 502.60874
6055.0000 -52.33075 -50.75010 1.58064 1.83098 -50.52416 478.16695
6060.0000 -52.10410 -50.38261 1.72148 1.79601 -50.79877 469.27986
6065.0000 -51.91589 -50.68451 1.23139 1.86201 -50.28058 572.37121
6070.0000 -51.83884 -50.72948 1.10935 1.82375 -50.58093 484.52114
6075.0000 -52.21565 -50.74833 1.46732 1.81928 -50.61609 486.23502
6080.0000 -52.11495 -50.83779 1.27716 1.82091 -50.60325 508.36047
6085.0000 -52.25295 -50.36212 1.89082 1.81604 -50.64150 477.10992
6090.0000 -52.15066 -51.35725 0.79340 1.81768 -50.62863 481.73046
6095.0000 -51.71262 -50.64526 1.06736 1.77537 -50.96079 453.67259
6100.0000 -52.29003 -50.91679 1.37324 1.79827 -50.78105 485.46419
6105.0000 -52.12220 -50.59477 1.52743 1.79061 -50.84116 495.82380
6110.0000 -51.74818 -50.24332 1.50486 1.83199 -50.51626 489.83393
6115.0000 -51.86446 -49.97426 1.89020 1.86753 -50.23724 539.26545
6120.0000 -51.83762 -50.42904 1.40858 1.88068 -50.13395 561.91202
6125.0000 -52.49492 -50.67727 1.81765 1.80043 -50.76410 494.76117
6130.0000 -52.00853 -50.70293 1.30560 1.80071 -50.76189 486.65267
6135.0000 -52.41811 -51.15551 1.26260 1.77011 -51.00214 457.63913
6140.0000 -51.95785 -50.20270 1.75515 1.82321 -50.58523 530.27860
6145.0000 -52.02332 -50.66964 1.35367 1.86391 -50.26565 536.01521
6150.0000 -52.46112 -50.92147 1.53965 1.81370 -50.65989 501.60328
6155.0000 -51.74772 -50.60939 1.13833 1.82906 -50.53924 528.27785
6160.0000 -52.21135 -50.76515 1.44620 1.81497 -50.64988 510.71899
6165.0000 -51.70290 -50.32917 1.37373 1.83134 -50.52139 523.72208
6170.0000 -52.06296 -50.90976 1.15321 1.84021 -50.45170 539.34327
6175.0000 -51.97540 -50.85131 1.12409 1.78310 -50.90016 460.37332
6180.0000 -52.28057 -50.79772 1.48285 1.78069 -50.91903 454.59977
6185.0000 -52.19761 -50.73660 1.46101 1.81915 -50.61708 495.83877
6190.0000 -52.42159 -50.64343 1.77816 1.83514 -50.49156 538.83505
6195.0000 -52.33274 -50.93498 1.39776 1.79856 -50.77878 486.34555
6200.0000 -52.38732 -50.87721 1.51011 1.76643 -51.03097 448.08529
6205.0000 -51.55115 -50.00822 1.54294 1.83678 -50.47867 526.28381
6210.0000 -51.32570 -49.44656 1.87914 1.96105 -49.50293 680.38735
6215.0000 -51.87473 -50.03448 1.84025 1.93983 -49.66955 651.97635
6220.0000 -52.14031 -50.05456 2.08575 1.87624 -50.16882 594.15504
6225.0000 -51.07580 -49.85069 1.22512 1.88462 -50.10306 634.30606
6230.0000 -51.23759 -49.70319 1.53440 1.95050 -49.58581 644.84856
6235.0000 -52.26896 -50.31251 1.95645 1.89108 -50.05231 612.78447
6240.0000 -51.78679 -50.61976 1.16703 1.80925 -50.69482 484.98369
6245.0000 -51.94258 -50.92519 1.01739 1.81250 -50.66930 514.66962
6250.0000 -52.14658 -50.65985 1.48673 1.78748 -50.86573 466.85617
FREEZING PROCESS: loop number 26 T-loop= 484.00000000000000
main_MD> interactions number 26 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79840 2.71976 1.60339
force_rgl> df(natom) -0.94179 -1.63850 -0.23922
6255.0000 -51.97650 -50.47506 1.50144 1.81198 -50.67338 509.71210
6260.0000 -51.90761 -50.53126 1.37635 1.84554 -50.40992 529.59856
6265.0000 -52.17005 -50.47432 1.69573 1.84075 -50.44748 542.93693
6270.0000 -51.76803 -50.24063 1.52740 1.84961 -50.37790 523.59339
6275.0000 -52.05997 -50.76968 1.29029 1.86034 -50.29368 544.70499
6280.0000 -52.68141 -51.52072 1.16069 1.74361 -51.21015 418.09216
6285.0000 -52.40507 -51.50412 0.90095 1.73554 -51.27356 391.82303
6290.0000 -51.96704 -50.72982 1.23722 1.75002 -51.15989 433.33144
6295.0000 -51.86272 -50.27900 1.58372 1.83881 -50.46276 546.37110
6300.0000 -52.09785 -50.67763 1.42022 1.84031 -50.45095 525.71642
6305.0000 -52.50530 -50.66307 1.84224 1.80281 -50.74535 466.95306
6310.0000 -52.11925 -50.13724 1.98201 1.88896 -50.06901 597.46284
6315.0000 -52.20190 -50.74632 1.45558 1.82249 -50.59088 535.43187
6320.0000 -52.10453 -51.31418 0.79035 1.78442 -50.88978 465.20894
6325.0000 -52.58481 -51.48668 1.09813 1.72318 -51.37054 389.35513
6330.0000 -52.19107 -50.81318 1.37789 1.71308 -51.44986 380.82903
6335.0000 -52.22857 -50.81758 1.41099 1.81904 -50.61798 523.91406
6340.0000 -51.97286 -50.54648 1.42638 1.81649 -50.63799 507.77913
6345.0000 -51.97409 -51.01331 0.96078 1.75151 -51.14811 408.01798
6350.0000 -51.85143 -50.37915 1.47228 1.78789 -50.86253 442.35485
6355.0000 -52.56852 -51.69409 0.87443 1.77792 -50.94083 442.53790
6360.0000 -52.15482 -50.71465 1.44017 1.74492 -51.19987 422.99024
6365.0000 -51.98226 -50.71956 1.26271 1.81234 -50.67055 474.63386
6370.0000 -52.01088 -50.53141 1.47947 1.82310 -50.58610 500.23184
6375.0000 -51.93956 -50.27908 1.66048 1.85986 -50.29747 558.64453
6380.0000 -51.63423 -50.31507 1.31915 1.85741 -50.31668 531.10993
6385.0000 -52.03701 -50.69397 1.34304 1.81992 -50.61105 515.82827
6390.0000 -52.37634 -50.74327 1.63307 1.80367 -50.73863 453.74116
6395.0000 -52.20708 -50.87248 1.33460 1.80682 -50.71388 465.40926
6400.0000 -51.73003 -50.55631 1.17373 1.80122 -50.75789 466.60145
6405.0000 -52.23898 -50.46908 1.76990 1.83388 -50.50139 525.79015
6410.0000 -52.09760 -50.91950 1.17810 1.84116 -50.44428 535.31171
6415.0000 -52.11260 -50.85599 1.25661 1.79394 -50.81503 478.61325
6420.0000 -52.05272 -50.83315 1.21958 1.78971 -50.84825 476.63662
6425.0000 -52.13871 -50.72268 1.41602 1.77793 -50.94074 440.82431
6430.0000 -52.02361 -50.94758 1.07603 1.79202 -50.83007 427.89232
6435.0000 -52.07702 -50.61238 1.46464 1.79742 -50.78769 483.30438
6440.0000 -52.16515 -50.96341 1.20174 1.83557 -50.48817 524.60883
6445.0000 -52.18518 -51.17591 1.00928 1.75932 -51.08684 419.72912
6450.0000 -52.52459 -51.24446 1.28012 1.73285 -51.29465 399.96577
6455.0000 -52.11705 -50.81824 1.29881 1.77025 -51.00104 479.36553
6460.0000 -52.32443 -50.66553 1.65890 1.77762 -50.94317 468.15845
6465.0000 -51.88697 -50.65407 1.23290 1.80887 -50.69776 491.60191
6470.0000 -51.92683 -50.67973 1.24711 1.82350 -50.58291 496.84355
6475.0000 -52.22490 -50.82874 1.39616 1.79766 -50.78583 478.47026
6480.0000 -52.58816 -51.20796 1.38020 1.76258 -51.06121 437.34008
6485.0000 -52.22121 -50.86610 1.35511 1.75140 -51.14900 418.77207
6490.0000 -51.66037 -50.33150 1.32887 1.80909 -50.69609 487.73419
6495.0000 -52.17827 -50.97685 1.20142 1.79029 -50.84368 462.76828
6500.0000 -52.39877 -51.24636 1.15241 1.72677 -51.34238 380.54300
FREEZING PROCESS: loop number 27 T-loop= 459.00000000000000
main_MD> interactions number 27 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.83788 0.80356 0.46533
force_rgl> df(natom) -1.13897 -0.51996 0.96814
6505.0000 -52.54629 -51.43408 1.11221 1.73655 -51.26563 397.49591
6510.0000 -52.31894 -51.05793 1.26101 1.73708 -51.26142 409.13245
6515.0000 -52.37701 -51.37610 1.00091 1.70235 -51.53410 370.28636
6520.0000 -52.35355 -50.99137 1.36218 1.75331 -51.13400 428.40966
6525.0000 -52.23046 -50.74092 1.48953 1.82384 -50.58029 507.55957
6530.0000 -52.28842 -50.98102 1.30740 1.78729 -50.86719 455.29126
6535.0000 -52.28906 -50.75496 1.53410 1.77057 -50.99853 465.46919
6540.0000 -52.51833 -51.19115 1.32719 1.77837 -50.93723 458.05774
6545.0000 -52.28016 -51.29455 0.98560 1.75693 -51.10558 448.11493
6550.0000 -52.38061 -51.00773 1.37288 1.74294 -51.21543 420.18456
6555.0000 -52.13085 -51.04493 1.08592 1.78112 -50.91563 468.31601
6560.0000 -52.14586 -51.08443 1.06143 1.75180 -51.14587 428.37262
6565.0000 -52.04521 -50.69887 1.34634 1.80794 -50.70507 507.15884
6570.0000 -51.95138 -50.71621 1.23517 1.82091 -50.60327 517.98103
6575.0000 -51.82926 -50.93306 0.89620 1.79846 -50.77954 465.50935
6580.0000 -52.05283 -50.56169 1.49114 1.79116 -50.83685 498.60585
6585.0000 -52.13426 -51.19586 0.93839 1.77672 -50.95021 454.74746
6590.0000 -52.10934 -50.58957 1.51977 1.79061 -50.84118 473.85618
6595.0000 -52.41627 -51.06745 1.34882 1.77801 -50.94006 471.29096
6600.0000 -52.31334 -51.03678 1.27657 1.77251 -50.98325 458.51050
6605.0000 -52.45987 -51.13414 1.32573 1.76452 -51.04600 440.95896
6610.0000 -51.79488 -51.00678 0.78810 1.74040 -51.23540 405.61116
6615.0000 -52.39071 -50.65548 1.73524 1.79117 -50.83676 486.58743
6620.0000 -52.04222 -51.06157 0.98065 1.80661 -50.71552 481.70430
6625.0000 -52.11671 -50.82775 1.28895 1.78681 -50.87096 421.77861
6630.0000 -52.34000 -51.16925 1.17075 1.76991 -51.00371 437.70342
6635.0000 -52.38594 -51.19320 1.19274 1.75424 -51.12674 432.59530
6640.0000 -51.98847 -50.92626 1.06220 1.74094 -51.23111 401.06464
6645.0000 -52.26843 -50.82782 1.44061 1.78804 -50.86137 450.27789
6650.0000 -52.05228 -51.02838 1.02391 1.77705 -50.94763 442.14322
6655.0000 -52.62492 -51.13370 1.49123 1.77366 -50.97422 451.92749
6660.0000 -51.83734 -50.48752 1.34982 1.77432 -50.96904 451.54170
6665.0000 -52.06182 -50.45379 1.60803 1.85927 -50.30208 571.05299
6670.0000 -52.47695 -51.36340 1.11355 1.76425 -51.04811 435.15748
6675.0000 -52.32170 -51.10853 1.21318 1.75459 -51.12398 441.93504
6680.0000 -52.20461 -50.83819 1.36642 1.79786 -50.78424 497.79744
6685.0000 -52.26371 -51.05219 1.21153 1.76392 -51.05072 446.74225
6690.0000 -52.23642 -51.13754 1.09888 1.76929 -51.00857 468.49934
6695.0000 -52.34256 -50.88879 1.45377 1.77405 -50.97120 443.36529
6700.0000 -52.36698 -51.01028 1.35670 1.74616 -51.19016 446.43174
6705.0000 -52.25143 -50.90289 1.34854 1.77875 -50.93431 453.17417
6710.0000 -52.33875 -50.74562 1.59313 1.78066 -50.91929 475.38824
6715.0000 -51.97761 -50.49124 1.48638 1.78977 -50.84777 478.65844
6720.0000 -52.27611 -50.76935 1.50676 1.79108 -50.83744 482.22459
6725.0000 -52.48518 -51.13846 1.34672 1.78812 -50.86068 468.89956
6730.0000 -52.72466 -51.46186 1.26280 1.74748 -51.17981 440.54733
6735.0000 -52.12047 -50.84253 1.27794 1.77810 -50.93936 468.87767
6740.0000 -52.27804 -50.89435 1.38369 1.77108 -50.99448 444.42649
6745.0000 -52.28015 -50.83847 1.44168 1.76247 -51.06207 466.29637
6750.0000 -52.59628 -51.39392 1.20237 1.74745 -51.18002 435.68906
FREEZING PROCESS: loop number 28 T-loop= 434.00000000000000
main_MD> interactions number 28 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01085 -1.08868 -0.66396
force_rgl> df(natom) 1.73793 -1.05134 -0.94788
6755.0000 -52.63549 -51.48254 1.15294 1.70505 -51.51297 389.48558
6760.0000 -52.23367 -51.12270 1.11097 1.72988 -51.31796 409.73569
6765.0000 -52.52648 -51.47832 1.04815 1.72363 -51.36704 406.74958
6770.0000 -52.51463 -51.45586 1.05878 1.75144 -51.14870 439.60417
6775.0000 -52.80664 -51.54228 1.26437 1.73538 -51.27481 405.17525
6780.0000 -52.10149 -51.06909 1.03240 1.70142 -51.54143 358.43069
6785.0000 -52.54620 -51.50960 1.03660 1.77828 -50.93794 467.27171
6790.0000 -52.47327 -51.33662 1.13665 1.71639 -51.42389 393.18488
6795.0000 -52.52349 -51.28876 1.23473 1.70754 -51.49340 368.58570
6800.0000 -52.40477 -51.40688 0.99790 1.72447 -51.36047 413.66475
6805.0000 -52.33682 -51.35538 0.98144 1.72028 -51.39336 372.06039
6810.0000 -51.75783 -50.48875 1.26907 1.78262 -50.90391 436.78731
6815.0000 -51.99137 -50.70203 1.28935 1.82240 -50.59156 489.18838
6820.0000 -51.90311 -50.52163 1.38148 1.83777 -50.47091 529.77942
6825.0000 -52.20772 -51.04102 1.16671 1.77051 -50.99899 446.37997
6830.0000 -51.99268 -50.89013 1.10255 1.76151 -51.06962 445.54656
6835.0000 -52.30197 -50.98671 1.31526 1.77038 -51.00000 434.66210
6840.0000 -52.20401 -51.12771 1.07629 1.75748 -51.10126 431.70790
6845.0000 -52.66533 -51.68116 0.98416 1.70910 -51.48112 377.28351
6850.0000 -52.43760 -50.93563 1.50196 1.78508 -50.88459 460.02576
6855.0000 -52.42422 -51.10986 1.31436 1.76241 -51.06257 441.93019
6860.0000 -51.85294 -50.39867 1.45427 1.82999 -50.53198 515.24674
6865.0000 -52.37696 -51.26372 1.11324 1.80127 -50.75750 495.57139
6870.0000 -52.18031 -51.02667 1.15364 1.74532 -51.19677 407.64453
6875.0000 -52.24510 -50.86724 1.37786 1.77834 -50.93747 460.13703
6880.0000 -52.53117 -51.12153 1.40964 1.77383 -50.97288 453.40993
6885.0000 -52.59946 -51.30068 1.29878 1.73381 -51.28713 390.75631
6890.0000 -52.18807 -50.66568 1.52240 1.77174 -50.98930 453.11664
6895.0000 -52.22582 -51.08098 1.14484 1.77234 -50.98462 451.62314
6900.0000 -52.37464 -51.15974 1.21491 1.76149 -51.06976 446.73803
6905.0000 -52.21610 -51.10384 1.11226 1.75533 -51.11815 438.67725
6910.0000 -52.46921 -51.32624 1.14297 1.74505 -51.19889 415.99145
6915.0000 -52.58388 -51.72112 0.86276 1.70262 -51.53203 369.45893
6920.0000 -52.50209 -51.19443 1.30766 1.73747 -51.25842 417.95820
6925.0000 -52.58942 -51.52174 1.06767 1.73365 -51.28840 396.57669
6930.0000 -52.41573 -51.37880 1.03694 1.72807 -51.33222 390.58504
6935.0000 -52.19798 -50.83115 1.36683 1.75351 -51.13249 431.60363
6940.0000 -52.19186 -51.00220 1.18965 1.78886 -50.85492 466.59024
6945.0000 -52.30606 -51.24874 1.05733 1.78603 -50.87715 467.86152
6950.0000 -52.12528 -51.02426 1.10103 1.76587 -51.03543 427.33762
6955.0000 -52.29902 -50.61118 1.68784 1.78506 -50.88474 462.12006
6960.0000 -52.53750 -50.72445 1.81305 1.80965 -50.69170 502.51175
6965.0000 -52.50643 -50.89662 1.60981 1.80888 -50.69772 516.17481
6970.0000 -52.20097 -50.58373 1.61724 1.82585 -50.56448 557.38254
6975.0000 -52.42881 -51.31710 1.11171 1.73126 -51.30715 410.58587
6980.0000 -52.50872 -51.48395 1.02477 1.71058 -51.46951 366.67092
6985.0000 -52.39210 -51.06044 1.33166 1.75694 -51.10551 438.82475
6990.0000 -51.94713 -50.52717 1.41996 1.77096 -50.99546 454.25036
6995.0000 -52.13394 -51.00164 1.13230 1.80467 -50.73076 479.17019
7000.0000 -52.31235 -51.41652 0.89584 1.71733 -51.41651 374.83126
FREEZING PROCESS: loop number 29 T-loop= 409.00000000000000
main_MD> interactions number 29 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90659 -0.95087 -0.16714
force_rgl> df(natom) -2.32223 -0.93189 0.27442
7005.0000 -52.60016 -51.53561 1.06455 1.70063 -51.54761 366.16823
7010.0000 -52.50599 -51.46559 1.04041 1.71367 -51.44526 368.61008
7015.0000 -52.66410 -51.58183 1.08226 1.71292 -51.45116 375.97946
7020.0000 -52.29514 -50.80901 1.48613 1.72953 -51.32069 401.51992
7025.0000 -52.34710 -51.16111 1.18599 1.77736 -50.94519 464.25047
7030.0000 -52.55585 -51.41387 1.14198 1.72632 -51.34590 392.65654
7035.0000 -52.54161 -51.30545 1.23616 1.72392 -51.36480 385.64430
7040.0000 -52.53123 -51.19670 1.33452 1.74385 -51.20827 423.11956
7045.0000 -52.27963 -51.41064 0.86899 1.73099 -51.30926 407.35321
7050.0000 -52.42611 -51.00198 1.42413 1.72931 -51.32249 376.37097
7055.0000 -52.22421 -50.74029 1.48391 1.78082 -50.91803 472.22567
7060.0000 -52.14749 -50.86851 1.27898 1.78137 -50.91374 464.97540
7065.0000 -52.71172 -51.42983 1.28189 1.75277 -51.13827 430.12248
7070.0000 -52.52393 -51.18861 1.33532 1.71002 -51.47394 374.86708
7075.0000 -52.43938 -51.25443 1.18495 1.72511 -51.35546 397.69146
7080.0000 -52.30810 -51.29520 1.01290 1.71819 -51.40980 394.01266
7085.0000 -52.16742 -50.85861 1.30881 1.76471 -51.04454 441.54166
7090.0000 -52.22509 -51.16626 1.05883 1.77901 -50.93223 450.95820
7095.0000 -52.48504 -51.19179 1.29325 1.77440 -50.96843 461.52931
7100.0000 -52.53043 -51.48424 1.04620 1.71781 -51.41271 386.90427
7105.0000 -52.75135 -51.64736 1.10399 1.70835 -51.48704 376.84619
7110.0000 -52.56385 -51.42376 1.14010 1.69248 -51.61165 356.31907
7115.0000 -53.03400 -52.15266 0.88134 1.68455 -51.67385 352.67690
7120.0000 -52.54130 -51.86175 0.67955 1.66229 -51.84867 320.17330
7125.0000 -52.53090 -51.38309 1.14781 1.67121 -51.77864 331.78795
7130.0000 -52.27018 -51.10752 1.16265 1.73683 -51.26341 411.30003
7135.0000 -52.75183 -51.60131 1.15053 1.72073 -51.38980 388.66910
7140.0000 -52.08535 -51.26951 0.81585 1.71259 -51.45371 373.13586
7145.0000 -52.26657 -51.28088 0.98569 1.74185 -51.22396 424.47397
7150.0000 -52.65609 -51.72726 0.92884 1.72340 -51.36889 397.07916
7155.0000 -52.52424 -51.25655 1.26769 1.69999 -51.55269 367.27880
7160.0000 -52.48436 -51.33739 1.14697 1.73371 -51.28787 427.73243
7165.0000 -52.41885 -51.14300 1.27585 1.74633 -51.18883 434.70321
7170.0000 -52.51533 -51.49228 1.02306 1.71968 -51.39810 372.11452
7175.0000 -52.51714 -51.29372 1.22342 1.71111 -51.46536 374.44350
7180.0000 -52.41931 -51.22317 1.19615 1.74177 -51.22461 415.88591
7185.0000 -51.98864 -50.67114 1.31750 1.80317 -50.74256 504.89122
7190.0000 -52.66710 -51.56360 1.10350 1.75203 -51.14407 430.19562
7195.0000 -52.48597 -51.39029 1.09569 1.72056 -51.39117 377.20442
7200.0000 -52.71203 -51.63984 1.07219 1.73398 -51.28582 412.76741
7205.0000 -52.79178 -51.87738 0.91440 1.69754 -51.57187 362.70972
7210.0000 -52.73785 -51.58836 1.14950 1.67276 -51.76647 325.34866
7215.0000 -52.47380 -51.34101 1.13279 1.72559 -51.35169 405.20652
7220.0000 -52.31662 -51.30010 1.01652 1.75155 -51.14786 411.68266
7225.0000 -52.17339 -50.98810 1.18530 1.75085 -51.15333 418.03127
7230.0000 -52.58697 -51.27853 1.30843 1.74503 -51.19905 412.68997
7235.0000 -52.36729 -51.12112 1.24616 1.73492 -51.27838 405.60445
7240.0000 -52.50232 -51.28466 1.21766 1.73444 -51.28221 403.77799
7245.0000 -52.76589 -51.35353 1.41236 1.72438 -51.36113 388.77405
7250.0000 -52.61067 -51.53260 1.07806 1.73541 -51.27459 416.36366
FREEZING PROCESS: loop number 30 T-loop= 384.00000000000000
main_MD> interactions number 30 at Temperature= 384.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17328 0.49138 1.45515
force_rgl> df(natom) 0.57116 -1.49788 -0.09167
7255.0000 -51.95918 -50.84285 1.11633 1.73406 -51.28514 371.29213
7260.0000 -52.71766 -51.00393 1.71373 1.78027 -50.92237 457.04235
7265.0000 -52.60683 -51.89320 0.71363 1.69968 -51.55510 366.09003
7270.0000 -52.34441 -51.24639 1.09801 1.69121 -51.62158 357.60039
7275.0000 -52.42670 -51.68609 0.74061 1.71060 -51.46937 379.52827
7280.0000 -52.86032 -51.90076 0.95956 1.68845 -51.64326 346.70824
7285.0000 -52.97234 -52.18657 0.78577 1.66263 -51.84602 333.71707
7290.0000 -52.78303 -51.92354 0.85949 1.63067 -52.09694 278.81760
7295.0000 -52.36314 -51.08517 1.27797 1.70544 -51.50984 380.86850
7300.0000 -52.58323 -51.10501 1.47822 1.76608 -51.03376 435.02474
7305.0000 -52.63209 -51.56553 1.06656 1.73955 -51.24207 397.05269
7310.0000 -51.95213 -51.21999 0.73214 1.74991 -51.16074 415.91078
7315.0000 -52.57446 -51.21754 1.35691 1.73678 -51.26379 387.77629
7320.0000 -52.37916 -51.32615 1.05301 1.75124 -51.15029 421.54658
7325.0000 -52.28949 -50.99596 1.29353 1.75780 -51.09878 445.02168
7330.0000 -52.24515 -51.01067 1.23448 1.76342 -51.05467 437.14827
7335.0000 -52.58755 -51.41584 1.17171 1.73596 -51.27022 408.18810
7340.0000 -52.14925 -51.17739 0.97186 1.72201 -51.37979 332.00460
7345.0000 -52.28975 -51.09126 1.19849 1.74405 -51.20669 389.60322
7350.0000 -52.87659 -51.98000 0.89658 1.73518 -51.27633 404.55024
7355.0000 -52.82590 -51.90621 0.91969 1.65670 -51.89255 311.61186
7360.0000 -52.71196 -51.83802 0.87394 1.66033 -51.86401 311.96987
7365.0000 -52.51860 -51.66537 0.85323 1.68141 -51.69851 341.03869
7370.0000 -52.32240 -50.97185 1.35055 1.73241 -51.29814 406.38848
7375.0000 -52.35583 -51.54498 0.81085 1.74300 -51.21493 417.64200
7380.0000 -52.65817 -51.27274 1.38543 1.71237 -51.45547 380.30100
7385.0000 -52.05869 -50.83141 1.22727 1.72443 -51.36078 380.68903
7390.0000 -52.48271 -51.35984 1.12287 1.76716 -51.02526 446.80287
7395.0000 -52.40488 -51.41592 0.98895 1.73923 -51.24460 416.01541
7400.0000 -52.82077 -51.61345 1.20732 1.68893 -51.63950 351.08313
7405.0000 -52.38894 -51.28926 1.09969 1.70772 -51.49199 371.86999
7410.0000 -52.61986 -51.12309 1.49677 1.73774 -51.25624 409.75772
7415.0000 -52.34825 -50.94206 1.40619 1.76735 -51.02379 446.02269
7420.0000 -52.56154 -51.27103 1.29050 1.71919 -51.40190 380.36264
7425.0000 -52.63871 -51.52837 1.11034 1.70890 -51.48273 379.42907
7430.0000 -52.17473 -51.13676 1.03797 1.77029 -51.00074 436.10524
7435.0000 -52.20198 -51.31861 0.88337 1.73965 -51.24125 395.92929
7440.0000 -52.70244 -51.62773 1.07472 1.71410 -51.44185 366.18720
7445.0000 -52.87811 -51.65612 1.22198 1.69264 -51.61034 356.22948
7450.0000 -52.83688 -51.91892 0.91796 1.69456 -51.59528 367.00153
7455.0000 -52.75782 -51.63961 1.11822 1.67453 -51.75254 329.34401
7460.0000 -52.58571 -51.74978 0.83594 1.69643 -51.58061 365.34463
7465.0000 -52.50194 -51.67228 0.82967 1.67709 -51.73243 330.73127
7470.0000 -52.67988 -51.62077 1.05911 1.68416 -51.67696 340.71152
7475.0000 -52.49153 -51.37492 1.11661 1.68362 -51.68115 333.36415
7480.0000 -52.50692 -51.06510 1.44181 1.72980 -51.31858 389.26514
7485.0000 -52.29874 -51.15605 1.14269 1.75132 -51.14962 421.47441
7490.0000 -52.40815 -50.99980 1.40835 1.73442 -51.28234 415.30501
7495.0000 -52.70197 -51.22165 1.48032 1.76782 -51.02010 476.13981
7500.0000 -52.80843 -51.87783 0.93060 1.67620 -51.73947 331.42890
FREEZING PROCESS: loop number 31 T-loop= 359.00000000000000
main_MD> interactions number 31 at Temperature= 359.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25997 -0.30493 -1.36001
force_rgl> df(natom) 0.48002 1.73801 -0.36783
7505.0000 -52.84500 -52.09358 0.75143 1.63894 -52.03201 286.89010
7510.0000 -52.64276 -51.73598 0.90678 1.65974 -51.86864 320.52309
7515.0000 -52.67484 -51.30328 1.37156 1.73193 -51.30188 423.49294
7520.0000 -52.32552 -51.17727 1.14825 1.71824 -51.40939 386.84184
7525.0000 -52.36101 -51.29780 1.06321 1.72515 -51.35515 404.80320
7530.0000 -52.60431 -51.50700 1.09731 1.70475 -51.51525 384.98419
7535.0000 -52.48534 -51.50054 0.98481 1.71034 -51.47143 385.76714
7540.0000 -52.67100 -51.23302 1.43798 1.72367 -51.36677 398.84740
7545.0000 -52.71607 -51.84118 0.87489 1.68180 -51.69546 338.90414
7550.0000 -52.45819 -51.58045 0.87773 1.67927 -51.71530 335.94876
7555.0000 -52.74543 -51.89497 0.85046 1.70309 -51.52831 364.76163
7560.0000 -52.01564 -50.83897 1.17667 1.71634 -51.42426 386.62408
7565.0000 -52.59853 -51.58556 1.01297 1.75671 -51.10734 431.50560
7570.0000 -52.64522 -51.60843 1.03679 1.69326 -51.60550 339.11507
7575.0000 -52.54687 -51.44282 1.10405 1.70251 -51.53286 373.10877
7580.0000 -52.66528 -51.62650 1.03877 1.69935 -51.55772 355.73100
7585.0000 -52.23900 -51.34217 0.89683 1.72152 -51.38365 393.53967
7590.0000 -52.72207 -51.53624 1.18583 1.72039 -51.39248 381.41940
7595.0000 -52.87231 -51.68305 1.18926 1.69073 -51.62536 355.17242
7600.0000 -52.88168 -51.81171 1.06997 1.66573 -51.82165 318.57051
7605.0000 -53.00922 -51.87629 1.13293 1.66736 -51.80883 313.97148
7610.0000 -52.78129 -52.00908 0.77222 1.65405 -51.91339 307.77123
7615.0000 -52.81905 -51.45388 1.36518 1.66514 -51.82626 323.46115
7620.0000 -52.56845 -51.48185 1.08659 1.70425 -51.51918 369.45223
7625.0000 -52.40502 -51.47087 0.93415 1.71577 -51.42874 384.81962
7630.0000 -52.53098 -51.52011 1.01086 1.68953 -51.63477 352.14447
7635.0000 -52.80911 -51.69939 1.10972 1.66501 -51.82727 305.39078
7640.0000 -52.36842 -51.58514 0.78328 1.69085 -51.62439 341.35938
7645.0000 -52.48001 -51.55042 0.92959 1.73462 -51.28076 399.94607
7650.0000 -52.49006 -51.69114 0.79892 1.68237 -51.69096 339.90625
7655.0000 -52.47364 -51.21633 1.25731 1.71641 -51.42375 387.30078
7660.0000 -52.58902 -51.49075 1.09827 1.72159 -51.38306 383.01232
7665.0000 -52.43234 -51.40254 1.02979 1.70751 -51.49361 360.76125
7670.0000 -52.81655 -51.81262 1.00392 1.68427 -51.67611 336.54952
7675.0000 -52.62071 -51.51059 1.11012 1.68271 -51.68829 342.53856
7680.0000 -52.31170 -51.02622 1.28548 1.72139 -51.38461 400.49139
7685.0000 -52.33585 -51.00718 1.32868 1.72437 -51.36123 407.05424
7690.0000 -52.71262 -51.43241 1.28020 1.75572 -51.11513 423.03973
7695.0000 -52.48313 -51.49299 0.99014 1.71042 -51.47074 381.36503
7700.0000 -52.57883 -51.33762 1.24121 1.69360 -51.60284 355.31972
7705.0000 -52.72411 -51.61840 1.10571 1.70615 -51.50432 369.20797
7710.0000 -52.29460 -51.51863 0.77597 1.68638 -51.65953 340.72141
7715.0000 -52.71868 -51.83332 0.88537 1.70036 -51.54972 366.64505
7720.0000 -52.36582 -51.27860 1.08722 1.72137 -51.38477 392.24010
7725.0000 -52.21120 -51.23884 0.97236 1.75953 -51.08518 432.45897
7730.0000 -52.70253 -51.26890 1.43363 1.74085 -51.23184 398.95579
7735.0000 -52.21405 -51.34280 0.87125 1.73495 -51.27816 386.40154
7740.0000 -52.72067 -51.72700 0.99368 1.71105 -51.46586 373.02065
7745.0000 -52.58946 -51.55374 1.03572 1.70257 -51.53240 358.87239
7750.0000 -52.68055 -51.84308 0.83747 1.70509 -51.51260 361.14099
FREEZING PROCESS: loop number 32 T-loop= 334.00000000000000
main_MD> interactions number 32 at Temperature= 334.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03025 0.96154 -2.20202
force_rgl> df(natom) 0.29334 -0.11777 -0.65796
7755.0000 -52.58832 -51.79029 0.79803 1.67897 -51.71771 321.82946
7760.0000 -52.63944 -51.73109 0.90835 1.67669 -51.73561 316.81017
7765.0000 -52.39666 -51.45848 0.93818 1.69532 -51.58931 336.74193
7770.0000 -52.54216 -51.50392 1.03824 1.69944 -51.55700 340.35802
7775.0000 -52.47819 -51.55726 0.92092 1.68598 -51.66265 324.82321
7780.0000 -52.78803 -51.78536 1.00268 1.67921 -51.71578 324.08677
7785.0000 -52.55469 -51.56280 0.99188 1.68310 -51.68523 340.39199
7790.0000 -52.59856 -51.67460 0.92396 1.68744 -51.65119 334.33416
7795.0000 -52.49656 -51.51591 0.98065 1.70674 -51.49969 365.80443
7800.0000 -52.36813 -51.44208 0.92605 1.70218 -51.53548 362.06083
7805.0000 -52.65826 -51.80163 0.85663 1.70574 -51.50754 378.95892
7810.0000 -52.70352 -51.59165 1.11187 1.67847 -51.72161 337.57978
7815.0000 -52.80550 -51.90287 0.90263 1.68895 -51.63934 346.52420
7820.0000 -52.72046 -51.76553 0.95493 1.66351 -51.83910 306.09562
7825.0000 -52.71433 -51.98414 0.73019 1.69180 -51.61697 353.18348
7830.0000 -52.95355 -52.11457 0.83898 1.63349 -52.07477 277.97032
7835.0000 -52.67997 -51.71556 0.96441 1.65543 -51.90255 298.18370
7840.0000 -52.44029 -51.59642 0.84386 1.69567 -51.58655 367.46309
7845.0000 -52.72760 -51.79057 0.93703 1.68495 -51.67071 351.65787
7850.0000 -52.81212 -51.68249 1.12962 1.66058 -51.86210 314.59607
7855.0000 -52.82417 -52.09970 0.72447 1.64100 -52.01582 289.25478
7860.0000 -52.90761 -52.06377 0.84384 1.65159 -51.93264 310.51766
7865.0000 -52.82954 -52.02029 0.80926 1.63741 -52.04400 277.76349
7870.0000 -52.82476 -51.77847 1.04629 1.66402 -51.83504 311.30620
7875.0000 -52.60640 -51.87593 0.73047 1.67160 -51.77558 332.10927
7880.0000 -52.61912 -51.69014 0.92898 1.66486 -51.82844 309.95331
7885.0000 -52.94323 -51.82680 1.11644 1.67673 -51.73526 334.28783
7890.0000 -52.73782 -51.89539 0.84243 1.66218 -51.84954 315.42872
7895.0000 -52.80556 -51.76836 1.03719 1.64767 -51.96343 287.73617
7900.0000 -52.74402 -51.98238 0.76164 1.64229 -52.00567 290.19780
7905.0000 -52.61036 -51.62408 0.98628 1.67299 -51.76461 329.39537
7910.0000 -52.51332 -51.57698 0.93634 1.68645 -51.65893 334.96713
7915.0000 -52.52246 -51.30691 1.21555 1.70992 -51.47467 373.91574
7920.0000 -52.80611 -51.67465 1.13146 1.69346 -51.60394 350.68080
7925.0000 -52.28890 -51.39366 0.89524 1.71106 -51.46573 366.79540
7930.0000 -52.90565 -51.59322 1.31243 1.69626 -51.58194 351.92762
7935.0000 -52.52162 -51.62165 0.89997 1.71899 -51.40350 403.79319
7940.0000 -52.81393 -51.91867 0.89526 1.63330 -52.07626 283.27797
7945.0000 -52.49554 -51.55306 0.94248 1.67287 -51.76557 339.23031
7950.0000 -52.71468 -51.91164 0.80304 1.64778 -51.96261 299.78965
7955.0000 -52.52394 -51.42558 1.09836 1.68605 -51.66212 348.81188
7960.0000 -52.51531 -51.71530 0.80001 1.68296 -51.68638 308.29484
7965.0000 -52.23999 -51.11691 1.12308 1.71197 -51.45859 347.92239
7970.0000 -52.42986 -51.32284 1.10703 1.72916 -51.32360 368.02954
7975.0000 -52.36606 -51.24514 1.12092 1.73670 -51.26443 371.32682
7980.0000 -52.16665 -51.16671 0.99994 1.74030 -51.23613 367.07984
7985.0000 -52.85566 -51.66151 1.19416 1.71269 -51.45294 346.81800
7990.0000 -52.75671 -51.69859 1.05812 1.69468 -51.59436 351.14802
7995.0000 -52.47929 -51.66851 0.81078 1.68440 -51.67508 336.12042
8000.0000 -52.78941 -51.75563 1.03378 1.67351 -51.76059 314.11854
FREEZING PROCESS: loop number 33 T-loop= 309.00000000000000
main_MD> interactions number 33 at Temperature= 309.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.62508 0.19733 -2.95476
force_rgl> df(natom) 1.71366 -0.36494 2.21629
8005.0000 -52.69079 -51.80781 0.88298 1.66403 -51.83496 329.02215
8010.0000 -52.74410 -51.71206 1.03204 1.67668 -51.73566 330.26793
8015.0000 -52.40486 -51.69161 0.71325 1.68166 -51.69661 333.92776
8020.0000 -52.81331 -51.97814 0.83517 1.65922 -51.87276 316.76058
8025.0000 -52.74641 -52.09092 0.65550 1.64829 -51.95860 294.11866
8030.0000 -52.81848 -52.06597 0.75252 1.63147 -52.09062 270.10345
8035.0000 -52.73798 -51.95637 0.78160 1.63206 -52.08597 273.91906
8040.0000 -52.86291 -52.03900 0.82391 1.63670 -52.04956 278.75770
8045.0000 -52.30395 -51.63789 0.66606 1.66517 -51.82608 324.62212
8050.0000 -52.77395 -52.16757 0.60638 1.65478 -51.90761 302.41595
8055.0000 -52.60900 -51.91037 0.69863 1.65559 -51.90128 315.92980
8060.0000 -52.78846 -51.76735 1.02112 1.67360 -51.75983 317.59635
8065.0000 -52.74608 -51.69762 1.04846 1.67057 -51.78361 331.94496
8070.0000 -52.72595 -52.11903 0.60691 1.67006 -51.78761 314.14029
8075.0000 -52.91342 -52.14456 0.76886 1.63019 -52.10066 268.72874
8080.0000 -52.80265 -51.85494 0.94771 1.64606 -51.97605 288.45225
8085.0000 -52.45134 -51.64357 0.80777 1.66703 -51.81145 313.97918
8090.0000 -52.51469 -51.49727 1.01742 1.68820 -51.64524 336.96664
8095.0000 -53.07024 -52.13095 0.93929 1.68395 -51.67863 341.61118
8100.0000 -52.94649 -51.84855 1.09794 1.62736 -52.12290 269.58850
8105.0000 -52.89426 -51.91682 0.97744 1.65400 -51.91371 312.78507
8110.0000 -52.79960 -52.11808 0.68152 1.65338 -51.91864 296.06189
8115.0000 -52.50227 -51.77035 0.73191 1.64638 -51.97357 292.37473
8120.0000 -52.71976 -51.89515 0.82462 1.63525 -52.06092 282.39350
8125.0000 -52.94148 -51.93347 1.00802 1.64867 -51.95561 299.89621
8130.0000 -53.06444 -52.24746 0.81698 1.64222 -52.00625 289.11320
8135.0000 -52.68373 -51.88453 0.79919 1.62178 -52.16674 259.72552
8140.0000 -52.79706 -51.92087 0.87619 1.66720 -51.81012 319.73027
8145.0000 -52.97590 -51.72822 1.24768 1.66939 -51.79293 329.11405
8150.0000 -52.78849 -51.83579 0.95270 1.67701 -51.73308 343.54134
8155.0000 -52.67468 -51.81842 0.85626 1.64619 -51.97504 291.18779
8160.0000 -52.57309 -51.72700 0.84609 1.67622 -51.73931 327.04166
8165.0000 -52.53166 -51.41621 1.11544 1.69708 -51.57547 362.86005
8170.0000 -52.40536 -51.57316 0.83220 1.71824 -51.40939 396.27329
8175.0000 -52.66533 -51.73643 0.92890 1.65698 -51.89038 323.79043
8180.0000 -52.86648 -52.30778 0.55870 1.64242 -52.00464 290.30155
8185.0000 -52.94558 -52.06009 0.88549 1.61864 -52.19133 255.30151
8190.0000 -52.85107 -51.73958 1.11149 1.65938 -51.87154 320.42982
8195.0000 -52.76164 -51.91221 0.84943 1.66695 -51.81207 319.38608
8200.0000 -52.81310 -51.77118 1.04192 1.65468 -51.90840 300.80473
8205.0000 -52.46572 -51.50730 0.95843 1.67195 -51.77281 331.89818
8210.0000 -52.84544 -51.93293 0.91251 1.66603 -51.81926 332.48361
8215.0000 -52.73299 -52.00368 0.72932 1.64046 -52.02002 288.31342
8220.0000 -52.87653 -52.16397 0.71256 1.62891 -52.11073 275.93470
8225.0000 -52.69136 -51.79839 0.89297 1.64820 -51.95925 297.86712
8230.0000 -52.96271 -52.08052 0.88220 1.63975 -52.02563 275.64943
8235.0000 -52.78255 -52.00715 0.77539 1.63292 -52.07928 283.69577
8240.0000 -52.88837 -51.64907 1.23930 1.67945 -51.71389 336.49733
8245.0000 -52.84515 -52.02262 0.82253 1.65819 -51.88088 307.32613
8250.0000 -52.57649 -51.74894 0.82754 1.65931 -51.87207 312.75225
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 13.6061327 [s].
main_MD> Deallocating global variables
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