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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_83/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_83.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 = 83 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 83 8300
main_MD> Size of nv and nvoiz: 83 8300
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 = 83
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> 9.5829829220592647E-002 -5.6418310254194123E-002 -0.11931003819599367 initial drift of cluster / NP1 for coalescence
init> 0.33924202011426197 0.35464722191078912 0.32770419802420836 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6865447991374051E-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) -3.02599 0.40976 -0.02359
force_rgl> df(natom) 0.73697 6.44218 2.60075
preparo> THERMALIZATION PROCESS AT 1180.9913461599115
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -182.15085341431256 13.864685948375943 -196.01553936268851 6.9522592272998579E-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 35
FREEZING PROCESS: loop number 1 T-loop= 1154.0000000000000
main_MD> interactions number 1 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47902 -2.40245 -2.63982
force_rgl> df(natom) 1.03838 1.34050 -2.12683
5.0000 -196.53455 -184.02188 12.51267 3.20663 -183.83536 1154.19541
10.0000 -197.65497 -184.43868 13.21629 3.18392 -184.26739 1168.86819
15.0000 -197.51171 -186.37526 11.13646 3.10942 -185.68498 1134.29603
20.0000 -196.37285 -184.03429 12.33856 3.09171 -186.02194 1099.34652
25.0000 -195.68886 -182.12718 13.56168 3.23623 -183.27203 1183.24341
30.0000 -196.85657 -183.88384 12.97274 3.21175 -183.73795 1154.52410
35.0000 -196.57570 -184.43473 12.14097 3.21618 -183.65361 1194.30841
40.0000 -195.52840 -184.80780 10.72060 3.16753 -184.57934 1150.56197
45.0000 -197.97335 -184.27221 13.70113 3.20271 -183.90986 1171.24465
50.0000 -194.64568 -182.73237 11.91331 3.18392 -184.26753 1183.33305
55.0000 -195.58425 -182.36154 13.22271 3.30906 -181.88628 1250.67920
60.0000 -195.30123 -184.88672 10.41452 3.24996 -183.01079 1200.57672
65.0000 -197.12529 -186.10406 11.02124 3.10370 -185.79380 1134.42456
70.0000 -197.73765 -187.04776 10.68990 3.07156 -186.40544 1096.33724
75.0000 -196.95300 -183.98755 12.96545 3.03204 -187.15747 1096.10703
80.0000 -195.45469 -183.59045 11.86423 3.23774 -183.24345 1207.38114
85.0000 -195.74634 -184.76000 10.98634 3.15763 -184.76765 1153.03849
90.0000 -194.74670 -180.62123 14.12547 3.30536 -181.95666 1257.44875
95.0000 -195.18928 -181.75329 13.43599 3.40670 -180.02844 1312.52040
100.0000 -194.79298 -182.83232 11.96066 3.28345 -182.37361 1239.50183
105.0000 -195.95246 -181.58967 14.36279 3.21171 -183.73864 1156.32648
110.0000 -196.81773 -182.95344 13.86429 3.27066 -182.61708 1238.63631
115.0000 -196.86887 -183.08480 13.78407 3.20121 -183.93846 1156.96589
120.0000 -198.19208 -185.11830 13.07378 3.13684 -185.16325 1158.19788
125.0000 -196.90578 -184.68053 12.22525 3.14631 -184.98309 1159.53729
130.0000 -197.47138 -184.87148 12.59990 3.16829 -184.56492 1150.59728
135.0000 -197.93600 -184.48364 13.45236 3.22324 -183.51920 1209.95506
140.0000 -197.35131 -184.72261 12.62870 3.17800 -184.38017 1148.97183
145.0000 -198.77718 -185.41621 13.36097 3.16655 -184.59805 1185.76548
150.0000 -196.17611 -183.95769 12.21842 3.09231 -186.01053 1083.00204
155.0000 -197.30613 -182.34557 14.96056 3.25687 -182.87930 1182.88592
160.0000 -195.07620 -181.45530 13.62090 3.30105 -182.03870 1243.85704
165.0000 -195.96377 -183.92855 12.03522 3.26665 -182.69330 1194.96234
170.0000 -195.85318 -183.77636 12.07682 3.10322 -185.80302 1099.86238
175.0000 -197.23775 -184.54863 12.68911 3.18680 -184.21257 1169.53440
180.0000 -196.55027 -184.38864 12.16163 3.21007 -183.76995 1170.69298
185.0000 -197.06486 -185.05558 12.00928 3.14252 -185.05520 1178.97145
190.0000 -198.27966 -185.65500 12.62466 3.10736 -185.72426 1118.65695
195.0000 -199.54803 -186.64845 12.89958 3.10080 -185.84901 1078.04636
200.0000 -199.26438 -185.20543 14.05895 3.10026 -185.85925 1131.56339
205.0000 -195.77935 -182.88276 12.89659 3.20984 -183.77432 1182.87882
210.0000 -194.50042 -183.35380 11.14663 3.26836 -182.66070 1188.07707
215.0000 -195.75481 -184.04823 11.70658 3.20523 -183.86194 1135.39147
220.0000 -195.69002 -183.70094 11.98908 3.22683 -183.45098 1159.88471
225.0000 -195.96458 -181.90451 14.06007 3.25291 -182.95480 1229.59346
230.0000 -192.35778 -180.07870 12.27908 3.32218 -181.63664 1273.40629
235.0000 -195.18534 -183.97472 11.21062 3.23395 -183.31559 1234.55484
240.0000 -196.81152 -181.25488 15.55664 3.21268 -183.72022 1215.18303
245.0000 -196.05156 -183.04810 13.00345 3.26964 -182.63643 1223.15351
250.0000 -196.09649 -184.17008 11.92640 3.24258 -183.15133 1217.56653
FREEZING PROCESS: loop number 2 T-loop= 1129.0000000000000
main_MD> interactions number 2 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.59595 -0.88643 2.12959
force_rgl> df(natom) 3.12256 8.40001 4.73655
255.0000 -195.93264 -180.70241 15.23023 3.21926 -183.59510 1182.47967
260.0000 -197.02231 -184.64363 12.37868 3.25827 -182.85283 1198.99061
265.0000 -197.06041 -183.14949 13.91092 3.20263 -183.91147 1192.04302
270.0000 -197.61004 -183.43645 14.17359 3.20849 -183.79988 1211.46934
275.0000 -194.23938 -181.39125 12.84812 3.28423 -182.35881 1238.39472
280.0000 -196.99897 -182.38001 14.61896 3.30248 -182.01155 1225.51564
285.0000 -196.27086 -183.81333 12.45753 3.22553 -183.47575 1183.23311
290.0000 -197.30823 -184.46495 12.84329 3.16665 -184.59602 1141.89517
295.0000 -198.75348 -186.30534 12.44814 3.14182 -185.06848 1125.25959
300.0000 -196.26179 -183.33157 12.93023 3.08831 -186.08675 1112.84794
305.0000 -198.02446 -184.85149 13.17297 3.18021 -184.33797 1143.60463
310.0000 -197.09766 -186.95535 10.14231 3.04939 -186.82727 1072.80849
315.0000 -197.84858 -183.86605 13.98254 3.10341 -185.79937 1114.85818
320.0000 -199.19962 -187.30008 11.89954 3.03640 -187.07445 1088.20550
325.0000 -195.66826 -185.75878 9.90947 3.08264 -186.19448 1103.74585
330.0000 -200.64250 -186.96217 13.68033 3.08318 -186.18423 1073.71154
335.0000 -197.52264 -187.64673 9.87592 3.00634 -187.64646 1034.84553
340.0000 -197.01673 -183.87181 13.14492 3.11555 -185.56843 1129.76995
345.0000 -194.75879 -182.81505 11.94375 3.21417 -183.69184 1142.66725
350.0000 -197.04559 -183.67858 13.36701 3.17104 -184.51259 1150.61172
355.0000 -194.25403 -182.44775 11.80628 3.16899 -184.55146 1176.56574
360.0000 -197.93329 -183.97860 13.95469 3.17601 -184.41792 1172.79052
365.0000 -196.49920 -184.81741 11.68179 3.20021 -183.95753 1163.69533
370.0000 -195.67905 -184.49045 11.18860 3.12279 -185.43054 1098.24405
375.0000 -196.08093 -185.50731 10.57362 3.17338 -184.46794 1131.92170
380.0000 -197.98573 -186.18348 11.80225 3.08121 -186.22180 1057.89730
385.0000 -196.67526 -183.81022 12.86504 3.14328 -185.04065 1120.79933
390.0000 -198.91315 -185.86975 13.04341 3.10547 -185.76026 1110.98170
395.0000 -201.15492 -190.03946 11.11546 3.06391 -186.55089 1085.48598
400.0000 -198.35612 -187.79226 10.56386 2.94399 -188.83283 973.62049
405.0000 -197.81839 -186.61763 11.20076 3.05674 -186.68748 1042.16227
410.0000 -198.85750 -187.24848 11.60903 3.07075 -186.42086 1086.73789
415.0000 -196.38838 -184.60985 11.77853 3.06992 -186.43656 1116.37379
420.0000 -197.28918 -185.87593 11.41324 3.13914 -185.11958 1125.60515
425.0000 -197.31457 -188.19001 9.12456 3.08471 -186.15515 1085.71699
430.0000 -196.95883 -185.81942 11.13941 3.08044 -186.23649 1108.38839
435.0000 -200.65170 -187.57229 13.07941 3.05935 -186.63770 1105.96484
440.0000 -198.80223 -186.24093 12.56130 3.04917 -186.83141 1075.78401
445.0000 -197.52229 -185.16199 12.36030 3.08777 -186.09696 1079.86715
450.0000 -197.30027 -185.08038 12.21989 3.17807 -184.37867 1175.38690
455.0000 -198.96680 -187.30569 11.66112 3.00693 -187.63515 1078.38487
460.0000 -198.18144 -184.90699 13.27445 3.03678 -187.06709 1068.21390
465.0000 -198.19369 -186.70329 11.49040 3.13071 -185.27985 1131.94643
470.0000 -198.41123 -187.76888 10.64235 3.03733 -187.05666 1066.66604
475.0000 -195.38070 -183.44527 11.93544 3.07797 -186.28338 1073.74848
480.0000 -196.84552 -184.19278 12.65274 3.11707 -185.53936 1135.47599
485.0000 -198.29691 -185.92995 12.36696 3.12124 -185.46004 1113.57318
490.0000 -194.80450 -182.95393 11.85057 3.21730 -183.63226 1203.53110
495.0000 -197.04253 -185.73515 11.30737 3.20155 -183.93194 1171.46881
500.0000 -196.95539 -184.65110 12.30429 3.10533 -185.76289 1121.50935
FREEZING PROCESS: loop number 3 T-loop= 1104.0000000000000
main_MD> interactions number 3 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.09132 -3.81815 -4.12440
force_rgl> df(natom) 2.57816 5.37026 2.84803
505.0000 -197.60503 -184.67062 12.93441 3.09314 -185.99471 1108.28543
510.0000 -197.32799 -186.60531 10.72267 3.17208 -184.49271 1167.43408
515.0000 -200.01700 -188.62756 11.38944 2.99991 -187.76874 1064.64311
520.0000 -197.28406 -186.53411 10.74995 2.99077 -187.94269 1034.25029
525.0000 -198.06070 -187.18925 10.87145 3.06115 -186.60341 1058.76936
530.0000 -198.39240 -186.69111 11.70129 3.02056 -187.37576 1032.74968
535.0000 -195.99729 -185.73906 10.25824 3.06759 -186.48086 1107.71591
540.0000 -197.53755 -184.15560 13.38195 3.14052 -185.09321 1170.88456
545.0000 -195.88148 -184.93544 10.94604 3.18144 -184.31473 1157.87781
550.0000 -195.42748 -184.30360 11.12388 3.08919 -186.06994 1098.54455
555.0000 -195.67281 -184.74132 10.93149 3.21863 -183.60708 1200.85963
560.0000 -196.85291 -185.17667 11.67624 3.15908 -184.74018 1146.95088
565.0000 -194.46225 -184.50025 9.96200 3.15734 -184.77326 1129.74748
570.0000 -198.93173 -186.52729 12.40444 3.14794 -184.95200 1146.49043
575.0000 -199.62714 -188.24523 11.38190 3.07886 -186.26642 1104.77396
580.0000 -199.42252 -187.70050 11.72202 3.01735 -187.43688 1068.96371
585.0000 -198.36155 -186.76585 11.59571 3.03750 -187.05345 1083.43500
590.0000 -199.18621 -186.48764 12.69858 3.02159 -187.35623 1073.57532
595.0000 -197.24929 -184.20747 13.04182 3.18678 -184.21305 1166.34325
600.0000 -199.57297 -186.20014 13.37283 3.09834 -185.89578 1115.30913
605.0000 -199.59556 -187.02623 12.56933 3.04150 -186.97737 1069.22843
610.0000 -198.12775 -187.35563 10.77212 3.13079 -185.27845 1140.74211
615.0000 -198.58719 -187.58152 11.00567 3.03817 -187.04071 1083.50319
620.0000 -197.70179 -185.12122 12.58057 3.06832 -186.46709 1105.06593
625.0000 -195.37528 -184.54870 10.82658 3.09576 -185.94492 1098.75533
630.0000 -201.47356 -190.24061 11.23295 3.06743 -186.48402 1097.10578
635.0000 -197.73889 -185.78881 11.95008 3.01472 -187.48698 1037.23295
640.0000 -200.15506 -186.70742 13.44764 3.03503 -187.10044 1085.27739
645.0000 -197.26581 -185.28850 11.97731 3.17739 -184.39180 1164.13197
650.0000 -198.08574 -185.19697 12.88877 3.13508 -185.19678 1132.77173
655.0000 -197.42108 -186.33387 11.08720 3.10897 -185.69357 1117.25532
660.0000 -197.83876 -187.24286 10.59591 3.02098 -187.36776 1069.73520
665.0000 -197.94996 -186.62819 11.32177 3.02615 -187.26946 1036.08395
670.0000 -197.73397 -185.04489 12.68907 3.08901 -186.07329 1091.12759
675.0000 -198.67555 -186.86173 11.81382 3.09712 -185.91905 1141.79784
680.0000 -197.63273 -184.28029 13.35243 3.08879 -186.07752 1115.39092
685.0000 -199.84222 -186.84931 12.99291 3.07889 -186.26590 1107.15332
690.0000 -197.37452 -184.64626 12.72826 3.06379 -186.55315 1083.23270
695.0000 -195.26675 -185.67960 9.58715 3.12663 -185.35749 1149.28401
700.0000 -199.27273 -186.67733 12.59540 3.02400 -187.31028 1054.76801
705.0000 -197.76999 -184.99773 12.77226 3.08362 -186.17590 1108.95469
710.0000 -199.05404 -188.01385 11.04020 3.04866 -186.84107 1095.02662
715.0000 -198.53103 -186.95381 11.57722 3.05161 -186.78507 1076.55068
720.0000 -196.48162 -186.70399 9.77763 3.01668 -187.44960 1054.21806
725.0000 -199.01973 -187.80907 11.21066 2.97852 -188.17565 1026.93298
730.0000 -198.74908 -188.03674 10.71235 2.99642 -187.83514 1060.03750
735.0000 -196.14186 -184.02283 12.11902 3.12566 -185.37608 1109.04578
740.0000 -196.45976 -183.74751 12.71225 3.22758 -183.43665 1193.68424
745.0000 -197.10482 -185.76037 11.34444 3.10951 -185.68337 1122.96511
750.0000 -198.76714 -188.81678 9.95036 3.07891 -186.26563 1103.83639
FREEZING PROCESS: loop number 4 T-loop= 1079.0000000000000
main_MD> interactions number 4 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20092 2.02362 -1.46521
force_rgl> df(natom) -2.13700 -1.34082 -1.16223
755.0000 -200.81425 -189.43921 11.37503 2.94871 -188.74286 1037.04014
760.0000 -199.18350 -187.38294 11.80056 2.98679 -188.01837 1072.09434
765.0000 -200.52546 -188.79539 11.73007 3.01625 -187.45790 1092.39344
770.0000 -200.14337 -188.50468 11.63869 2.95305 -188.66030 1038.16205
775.0000 -196.43409 -184.43882 11.99527 3.07750 -186.29240 1099.31885
780.0000 -198.59516 -187.19402 11.40114 3.04085 -186.98974 1094.37433
785.0000 -198.09796 -188.13725 9.96071 3.05736 -186.67565 1078.88838
790.0000 -199.60427 -189.02317 10.58110 2.95598 -188.60470 1001.88706
795.0000 -198.00226 -186.51976 11.48250 3.03764 -187.05079 1061.98802
800.0000 -199.35625 -187.39152 11.96473 3.02293 -187.33080 1076.83191
805.0000 -200.96037 -190.68042 10.27995 2.92759 -189.14487 1015.61506
810.0000 -197.08544 -186.30128 10.78416 2.95585 -188.60709 998.87037
815.0000 -197.84330 -186.90369 10.93961 3.08192 -186.20829 1065.12338
820.0000 -198.49173 -187.42872 11.06301 3.04444 -186.92147 1074.80062
825.0000 -198.91386 -188.20912 10.70474 2.99522 -187.85795 1028.53258
830.0000 -198.33854 -186.91119 11.42734 3.02095 -187.36841 1056.52592
835.0000 -196.52717 -184.95107 11.57610 3.07953 -186.25371 1096.90243
840.0000 -198.39374 -186.38235 12.01139 3.09711 -185.91932 1115.90005
845.0000 -198.00353 -185.78185 12.22169 3.04996 -186.81638 1067.44993
850.0000 -200.23834 -188.98540 11.25294 2.98928 -187.97105 1038.02883
855.0000 -200.22602 -190.21136 10.01466 2.86219 -190.38919 983.19000
860.0000 -200.01136 -190.05125 9.96011 2.84837 -190.65214 925.88411
865.0000 -200.73982 -190.09203 10.64780 2.90690 -189.53852 979.07836
870.0000 -198.96308 -188.61083 10.35225 2.94182 -188.87396 1031.45174
875.0000 -198.41862 -188.36355 10.05507 2.93378 -189.02710 1004.92175
880.0000 -199.27091 -188.44432 10.82659 2.92179 -189.25511 971.97799
885.0000 -200.50494 -189.53299 10.97195 2.94230 -188.86487 1011.45075
890.0000 -199.14733 -187.55020 11.59713 3.01662 -187.45070 1071.37845
895.0000 -196.98447 -185.38974 11.59473 3.05717 -186.67924 1121.22886
900.0000 -200.24288 -188.58219 11.66069 3.12409 -185.40596 1125.94437
905.0000 -199.38701 -189.26000 10.12701 2.97919 -188.16306 1015.60482
910.0000 -198.04535 -186.94212 11.10323 2.99911 -187.78397 1037.68252
915.0000 -197.78086 -187.16628 10.61458 3.04621 -186.88766 1074.58623
920.0000 -199.75609 -190.27559 9.48050 2.97123 -188.31452 1024.13926
925.0000 -200.80920 -188.71267 12.09653 2.93260 -189.04941 1001.43145
930.0000 -200.51059 -190.00309 10.50750 2.88729 -189.91172 999.50840
935.0000 -200.79616 -187.65933 13.13684 3.01810 -187.42255 1070.35142
940.0000 -200.66737 -188.43508 12.23228 2.99805 -187.80408 1045.98193
945.0000 -199.57308 -187.41014 12.16294 2.96735 -188.38824 1014.66030
950.0000 -197.57294 -185.81941 11.75353 3.05620 -186.69764 1103.65712
955.0000 -197.93617 -185.93549 12.00068 3.09296 -185.99820 1106.53305
960.0000 -198.01913 -186.87476 11.14437 3.06125 -186.60150 1103.92915
965.0000 -197.89787 -184.87303 13.02483 3.06159 -186.59513 1093.89473
970.0000 -197.46159 -186.20867 11.25292 3.10496 -185.76994 1106.10350
975.0000 -200.74579 -189.42648 11.31931 3.00732 -187.62772 1043.29014
980.0000 -200.81619 -190.19244 10.62375 2.89254 -189.81181 1010.54403
985.0000 -199.90312 -187.94288 11.96024 2.91849 -189.31804 1005.75575
990.0000 -200.30339 -187.19177 13.11162 2.98893 -187.97763 1001.87435
995.0000 -199.06135 -188.39222 10.66913 3.02213 -187.34600 1066.99414
1000.0000 -196.34041 -185.32365 11.01676 3.04239 -186.96046 1113.45554
FREEZING PROCESS: loop number 5 T-loop= 1054.0000000000000
main_MD> interactions number 5 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.48181 -8.79653 4.43352
force_rgl> df(natom) 0.82553 0.30390 -2.58088
1005.0000 -200.89038 -189.17637 11.71401 3.05834 -186.65692 1093.99413
1010.0000 -200.18608 -188.80950 11.37658 2.96164 -188.49693 1014.97247
1015.0000 -198.41263 -187.37303 11.03960 2.94490 -188.81544 1032.10530
1020.0000 -197.16141 -186.47954 10.68187 3.03312 -187.13677 1085.34694
1025.0000 -198.73232 -188.05129 10.68102 2.99862 -187.79324 1032.70661
1030.0000 -196.26093 -183.52163 12.73931 3.08469 -186.15565 1084.67287
1035.0000 -196.98689 -184.62367 12.36322 3.23484 -183.29847 1170.85133
1040.0000 -197.45541 -185.52154 11.93386 3.12466 -185.39510 1110.66308
1045.0000 -196.82072 -184.90047 11.92024 3.14020 -185.09932 1136.12032
1050.0000 -199.57305 -187.86531 11.70774 3.03007 -187.19488 1064.20858
1055.0000 -199.93143 -189.08182 10.84961 2.92663 -189.16305 999.46135
1060.0000 -200.76517 -189.32926 11.43591 2.89402 -189.78355 977.92629
1065.0000 -199.69364 -187.74865 11.94499 2.99198 -187.91958 1028.22532
1070.0000 -198.80691 -188.62623 10.18068 2.97655 -188.21330 1051.47495
1075.0000 -199.67703 -188.56577 11.11126 3.01215 -187.53583 1077.22515
1080.0000 -199.41041 -187.95794 11.45247 3.00867 -187.60197 1068.47273
1085.0000 -195.80206 -184.91275 10.88930 2.99153 -187.92824 1086.29048
1090.0000 -199.64453 -187.34823 12.29630 3.07503 -186.33933 1134.76342
1095.0000 -197.65471 -185.59121 12.06350 3.06639 -186.50376 1092.17800
1100.0000 -200.09236 -189.44065 10.65171 2.97918 -188.16326 1021.86620
1105.0000 -199.75832 -190.21612 9.54220 2.93738 -188.95844 1004.19122
1110.0000 -200.00474 -190.37639 9.62835 2.89961 -189.67727 967.18493
1115.0000 -200.26247 -189.38686 10.87561 2.96613 -188.41145 1024.00306
1120.0000 -198.11221 -187.97133 10.14088 2.92230 -189.24555 996.64682
1125.0000 -200.58013 -189.27679 11.30334 2.99047 -187.94827 1010.13632
1130.0000 -199.04188 -188.79902 10.24286 2.95328 -188.65605 1042.07183
1135.0000 -199.16653 -189.17560 9.99093 2.87293 -190.18483 978.04508
1140.0000 -197.16293 -185.97092 11.19201 3.01820 -187.42076 1074.67734
1145.0000 -197.67000 -185.56336 12.10663 3.09242 -186.00840 1107.59912
1150.0000 -200.06738 -187.93790 12.12948 3.06643 -186.50299 1047.85335
1155.0000 -197.78732 -186.12433 11.66299 3.12055 -185.47331 1122.57161
1160.0000 -198.59672 -187.83164 10.76508 3.08740 -186.10403 1100.84852
1165.0000 -198.62491 -187.32613 11.29878 3.01233 -187.53248 1061.11572
1170.0000 -197.49857 -185.13368 12.36489 3.05568 -186.70753 1080.58552
1175.0000 -200.32227 -189.28753 11.03473 3.01378 -187.50477 1050.19962
1180.0000 -198.85199 -188.62840 10.22359 2.96643 -188.40585 994.61714
1185.0000 -199.83270 -188.57089 11.26181 2.95387 -188.64474 1020.07347
1190.0000 -199.99449 -188.09658 11.89791 2.93628 -188.97955 1013.35931
1195.0000 -197.10391 -185.94512 11.15879 3.07679 -186.30583 1120.32455
1200.0000 -197.80360 -187.70987 10.09373 3.04566 -186.89817 1057.67259
1205.0000 -199.07946 -186.83020 12.24925 3.06668 -186.49826 1075.04667
1210.0000 -200.87817 -188.75905 12.11912 2.99876 -187.79061 1061.22226
1215.0000 -197.51013 -187.82539 9.68474 3.04878 -186.83878 1057.59402
1220.0000 -198.86244 -186.79684 12.06560 2.98504 -188.05170 1036.76192
1225.0000 -198.36927 -187.17884 11.19043 3.01546 -187.47289 1065.68473
1230.0000 -198.76988 -188.35079 10.41909 3.02050 -187.37696 1061.04629
1235.0000 -198.86037 -186.87766 11.98271 3.03476 -187.10561 1069.73926
1240.0000 -197.90654 -186.50295 11.40359 3.07217 -186.39371 1099.77038
1245.0000 -198.06851 -187.24133 10.82718 3.06434 -186.54285 1094.33152
1250.0000 -200.07170 -187.69362 12.37808 2.96475 -188.43768 1031.31199
FREEZING PROCESS: loop number 6 T-loop= 1029.0000000000000
main_MD> interactions number 6 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.90185 -0.41314 4.66576
force_rgl> df(natom) 3.45155 2.05158 -0.07228
1255.0000 -198.38844 -186.08075 12.30769 2.99929 -187.78045 1036.49413
1260.0000 -199.70027 -188.35007 11.35020 3.02330 -187.32363 1054.94719
1265.0000 -199.41190 -186.30746 13.10444 2.97301 -188.28049 1040.46963
1270.0000 -197.12464 -187.56863 9.55601 3.00507 -187.67064 1050.89842
1275.0000 -199.35466 -189.08145 10.27322 2.95375 -188.64706 1016.85208
1280.0000 -199.93337 -186.74643 13.18694 3.02481 -187.29486 1076.62646
1285.0000 -199.33013 -188.54006 10.79007 2.97054 -188.32749 1053.95573
1290.0000 -199.39119 -187.09199 12.29920 3.03109 -187.17536 1091.35383
1295.0000 -199.45716 -186.20760 13.24957 3.05343 -186.75046 1098.49325
1300.0000 -199.14484 -187.61002 11.53482 3.04917 -186.83146 1091.01244
1305.0000 -196.23236 -185.04057 11.19179 3.03992 -187.00748 1085.29079
1310.0000 -198.32174 -186.06517 12.25658 3.14543 -184.99991 1167.58731
1315.0000 -199.43923 -188.72451 10.71471 2.99751 -187.81445 1079.08192
1320.0000 -201.71188 -190.72479 10.98710 2.87018 -190.23721 974.35135
1325.0000 -198.05959 -187.09054 10.96905 2.89957 -189.67805 1005.59932
1330.0000 -197.20709 -184.79526 12.41184 3.08575 -186.13535 1129.37267
1335.0000 -199.79653 -188.00697 11.78956 3.04594 -186.89284 1106.54485
1340.0000 -198.75448 -187.79722 10.95726 2.98542 -188.04451 1065.35750
1345.0000 -199.10956 -187.02959 12.07997 3.03408 -187.11851 1078.24896
1350.0000 -198.34060 -187.45210 10.88850 2.96563 -188.42097 1063.76383
1355.0000 -198.17011 -187.64287 10.52725 3.03939 -187.01757 1080.37067
1360.0000 -199.07584 -189.07868 9.99715 2.93375 -189.02758 1008.52609
1365.0000 -197.48191 -187.98108 9.50083 2.96655 -188.40358 1037.98482
1370.0000 -201.46962 -189.59773 11.87188 2.99372 -187.88646 1034.16317
1375.0000 -200.02826 -189.54670 10.48156 2.92366 -189.21961 1010.13524
1380.0000 -198.87994 -189.14843 9.73151 2.92369 -189.21910 1008.10779
1385.0000 -201.00739 -190.11910 10.88830 2.90228 -189.62649 976.15172
1390.0000 -199.39516 -187.20920 12.18597 2.95535 -188.61669 1005.10451
1395.0000 -198.44036 -188.86616 9.57420 3.06202 -186.58691 1104.64884
1400.0000 -197.38632 -185.48176 11.90456 3.00410 -187.68892 1052.07823
1405.0000 -199.96541 -187.73744 12.22797 3.09212 -186.01428 1108.17834
1410.0000 -198.46077 -186.79574 11.66503 3.02685 -187.25615 1051.79984
1415.0000 -198.95154 -189.02857 9.92297 3.03890 -187.02693 1051.46236
1420.0000 -197.03146 -185.25401 11.77745 3.06358 -186.55732 1096.75103
1425.0000 -200.41243 -189.86393 10.54850 3.00163 -187.73595 1056.49030
1430.0000 -201.63705 -191.12881 10.50823 2.79842 -191.60266 916.24032
1435.0000 -201.10752 -189.78804 11.31948 2.84571 -190.70277 995.18766
1440.0000 -198.99391 -187.68563 11.30828 2.93757 -188.95484 1010.18088
1445.0000 -199.05177 -186.98976 12.06201 3.05017 -186.81232 1078.80538
1450.0000 -200.64466 -190.81792 9.82674 2.93941 -188.91991 1039.02118
1455.0000 -200.20418 -189.77447 10.42971 2.91315 -189.41949 1002.46640
1460.0000 -199.46667 -187.40130 12.06537 2.91846 -189.31845 1010.15422
1465.0000 -201.41045 -190.43163 10.97882 2.97064 -188.32570 1034.65037
1470.0000 -199.98361 -190.35253 9.63108 2.85431 -190.53916 957.72928
1475.0000 -200.85722 -189.55154 11.30568 2.90139 -189.64336 971.54550
1480.0000 -198.82577 -188.34995 10.47582 2.93414 -189.02021 1000.35311
1485.0000 -199.05691 -186.26656 12.79035 2.98573 -188.03858 1054.81846
1490.0000 -200.12662 -190.91413 9.21249 2.98256 -188.09884 1053.03061
1495.0000 -200.53499 -189.03013 11.50486 2.83614 -190.88484 950.85865
1500.0000 -197.28264 -186.22030 11.06235 2.99707 -187.82277 1046.46876
FREEZING PROCESS: loop number 7 T-loop= 1004.0000000000000
main_MD> interactions number 7 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.23835 -4.67591 -8.44332
force_rgl> df(natom) 1.65263 -1.59397 3.60166
1505.0000 -199.37083 -188.37809 10.99273 3.01555 -187.47121 1027.88327
1510.0000 -199.09991 -188.65322 10.44670 2.94955 -188.72698 984.19099
1515.0000 -198.43228 -187.23971 11.19258 2.95401 -188.64207 1035.27491
1520.0000 -199.71829 -190.33786 9.38042 2.92048 -189.28008 1000.20660
1525.0000 -201.52563 -191.42205 10.10358 2.85064 -190.60890 958.14889
1530.0000 -199.56318 -190.17678 9.38640 2.90815 -189.51466 1001.67271
1535.0000 -200.18825 -190.04462 10.14363 2.84648 -190.68823 956.70591
1540.0000 -202.27624 -192.21991 10.05633 2.81912 -191.20871 939.23027
1545.0000 -201.94133 -190.61436 11.32698 2.81075 -191.36800 940.13370
1550.0000 -200.48169 -187.58884 12.89285 2.87804 -190.08772 990.78440
1555.0000 -197.61654 -186.45676 11.15977 3.04861 -186.84215 1092.73309
1560.0000 -198.69149 -186.99744 11.69405 3.02187 -187.35090 1067.08274
1565.0000 -201.43925 -189.94806 11.49119 2.96148 -188.49995 1032.09768
1570.0000 -198.31652 -186.80872 11.50780 2.95004 -188.71770 1025.29808
1575.0000 -198.04786 -186.33640 11.71146 3.03679 -187.06694 1065.44030
1580.0000 -198.57415 -186.50796 12.06618 3.03156 -187.16644 1048.74485
1585.0000 -201.08118 -189.27350 11.80769 2.98561 -188.04087 1033.23629
1590.0000 -200.17061 -189.68068 10.48993 2.95265 -188.66793 1026.50812
1595.0000 -201.11385 -190.52818 10.58567 2.87233 -190.19628 985.78987
1600.0000 -200.88232 -189.89624 10.98608 2.89159 -189.82987 985.70390
1605.0000 -198.36858 -187.94894 10.41964 2.89635 -189.73923 983.18975
1610.0000 -198.79757 -188.50781 10.28976 2.97273 -188.28593 1022.73613
1615.0000 -197.80522 -188.04859 9.75662 3.01681 -187.44716 1070.55780
1620.0000 -199.00823 -186.93524 12.07299 3.05584 -186.70456 1086.72662
1625.0000 -199.53254 -189.05942 10.47313 3.03575 -187.08675 1075.22767
1630.0000 -200.05496 -189.06497 10.98999 2.91902 -189.30788 1015.23132
1635.0000 -200.53303 -189.82081 10.71223 2.91965 -189.29597 1007.69161
1640.0000 -202.20042 -192.30184 9.89858 2.90295 -189.61366 977.65162
1645.0000 -200.19887 -191.03695 9.16191 2.79626 -191.64376 926.68335
1650.0000 -199.92084 -189.05010 10.87074 2.91883 -189.31141 1031.99086
1655.0000 -200.76077 -190.46823 10.29254 2.94278 -188.85580 1014.67635
1660.0000 -201.34764 -189.21461 12.13303 2.86513 -190.33320 949.89612
1665.0000 -202.34388 -190.16149 12.18240 2.87119 -190.21802 968.95011
1670.0000 -200.89659 -190.60820 10.28839 2.85593 -190.50833 965.83040
1675.0000 -199.53793 -188.49955 11.03838 2.92008 -189.28761 1002.33359
1680.0000 -199.48250 -188.34801 11.13449 2.97020 -188.33404 1021.76551
1685.0000 -197.98541 -185.51094 12.47446 3.00084 -187.75095 1038.08268
1690.0000 -200.43749 -187.68638 12.75111 3.04821 -186.84976 1051.87321
1695.0000 -200.56582 -189.98966 10.57616 2.94975 -188.72320 1046.46329
1700.0000 -199.82627 -187.91539 11.91088 2.94553 -188.80344 1032.34123
1705.0000 -199.58800 -189.75057 9.83742 2.91603 -189.36481 989.30625
1710.0000 -198.36957 -188.47659 9.89298 2.89589 -189.74792 958.66893
1715.0000 -201.21299 -190.75042 10.46257 2.90279 -189.61676 1003.28693
1720.0000 -199.87012 -188.69266 11.17747 2.95400 -188.64236 1020.03560
1725.0000 -199.42155 -188.07221 11.34933 3.05818 -186.66001 1124.49225
1730.0000 -202.26416 -191.36057 10.90359 2.96756 -188.38424 1045.62770
1735.0000 -201.27471 -189.88122 11.39349 2.83925 -190.82576 943.86555
1740.0000 -199.46939 -187.56591 11.90348 2.93908 -188.92624 1020.97052
1745.0000 -199.85505 -189.97084 9.88421 2.99634 -187.83663 1062.47449
1750.0000 -198.08134 -187.35283 10.72850 2.99267 -187.90654 1044.83138
FREEZING PROCESS: loop number 8 T-loop= 979.00000000000000
main_MD> interactions number 8 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.33238 6.68152 1.46125
force_rgl> df(natom) 4.98411 -3.88827 -7.75504
1755.0000 -198.22899 -188.43158 9.79741 2.98705 -188.01339 1028.92730
1760.0000 -200.48983 -189.41646 11.07337 2.90464 -189.58143 997.86723
1765.0000 -200.15725 -189.38635 10.77089 2.90840 -189.50989 1005.13262
1770.0000 -198.97639 -188.23883 10.73755 2.95782 -188.56956 1024.09400
1775.0000 -198.70803 -188.40694 10.30109 2.96075 -188.51388 1010.36013
1780.0000 -198.76521 -188.29326 10.47194 2.94037 -188.90159 1004.85344
1785.0000 -199.72142 -190.89963 8.82179 2.92314 -189.22950 1009.91333
1790.0000 -199.69281 -189.90628 9.78653 2.86743 -190.28954 961.41028
1795.0000 -200.32567 -189.26339 11.06227 2.87267 -190.18985 986.73249
1800.0000 -199.31886 -188.14367 11.17519 3.00107 -187.74674 1037.75221
1805.0000 -198.69701 -187.51749 11.17952 2.95823 -188.56180 1034.85836
1810.0000 -200.27888 -188.19004 12.08884 2.98061 -188.13601 1028.56783
1815.0000 -198.89694 -187.83768 11.05926 2.88842 -189.89004 983.92360
1820.0000 -196.59990 -186.15829 10.44161 3.03961 -187.01342 1064.21698
1825.0000 -198.08449 -187.84801 10.23648 3.07029 -186.42965 1079.29315
1830.0000 -198.48883 -188.02282 10.46601 2.97691 -188.20630 1045.03494
1835.0000 -198.89868 -187.70401 11.19468 2.93274 -189.04675 1024.18962
1840.0000 -198.87448 -188.10276 10.77172 2.97385 -188.26468 1026.87951
1845.0000 -202.14984 -192.22168 9.92816 2.92334 -189.22562 1018.10511
1850.0000 -199.29492 -189.20903 10.08588 2.86408 -190.35322 988.90943
1855.0000 -199.63581 -191.43792 8.19789 2.84036 -190.80462 931.10197
1860.0000 -199.71198 -191.10137 8.61062 2.80789 -191.42247 921.16256
1865.0000 -200.11589 -189.11664 10.99924 2.83892 -190.83197 959.49231
1870.0000 -202.65009 -189.84409 12.80600 2.82879 -191.02480 949.95305
1875.0000 -201.58967 -191.93276 9.65691 2.88425 -189.96943 966.81764
1880.0000 -201.86951 -191.43142 10.43809 2.76378 -192.26178 912.91167
1885.0000 -200.75706 -190.15720 10.59986 2.83247 -190.95476 948.78328
1890.0000 -200.66519 -189.99158 10.67360 2.87409 -190.16279 997.66191
1895.0000 -200.86368 -189.57751 11.28618 2.94011 -188.90656 1001.79354
1900.0000 -199.75163 -190.17045 9.58119 2.95482 -188.62670 1029.73208
1905.0000 -200.95848 -190.30755 10.65094 2.85055 -190.61080 961.85051
1910.0000 -203.54850 -194.43243 9.11607 2.76960 -192.15107 909.50369
1915.0000 -201.39021 -192.68485 8.70536 2.65307 -194.36834 838.69797
1920.0000 -199.20940 -188.85489 10.35451 2.87434 -190.15797 987.96323
1925.0000 -202.18166 -192.45535 9.72631 2.79032 -191.75678 916.32389
1930.0000 -202.93073 -192.29874 10.63199 2.81046 -191.37361 933.45627
1935.0000 -203.99974 -194.75940 9.24034 2.66631 -194.11642 847.30682
1940.0000 -202.55868 -191.60805 10.95062 2.71315 -193.22509 864.68513
1945.0000 -202.08807 -192.90031 9.18776 2.76485 -192.24133 921.89640
1950.0000 -200.86206 -191.91589 8.94617 2.74079 -192.69927 896.48857
1955.0000 -199.33232 -189.51832 9.81399 2.84349 -190.74501 946.53387
1960.0000 -199.64329 -188.35665 11.28664 2.98651 -188.02367 1019.97846
1965.0000 -198.85390 -186.99996 11.85394 2.99377 -187.88555 1019.93684
1970.0000 -199.88402 -189.51147 10.37255 2.94601 -188.79428 990.48069
1975.0000 -200.64147 -189.40684 11.23462 2.90176 -189.63620 979.03679
1980.0000 -200.92116 -191.39946 9.52170 2.88679 -189.92107 963.97548
1985.0000 -199.90549 -190.75306 9.15243 2.82533 -191.09059 942.78747
1990.0000 -200.72620 -190.89829 9.82791 2.83982 -190.81480 953.87313
1995.0000 -198.90993 -186.85021 12.05972 2.96618 -188.41062 1010.21653
2000.0000 -199.44607 -187.26767 12.17841 3.04354 -186.93861 1065.63537
FREEZING PROCESS: loop number 9 T-loop= 954.00000000000000
main_MD> interactions number 9 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71866 3.66013 0.54872
force_rgl> df(natom) -0.67652 1.20075 -0.99430
2005.0000 -199.39831 -189.25618 10.14213 2.91652 -189.35550 997.35846
2010.0000 -201.11686 -190.12306 10.99380 2.94213 -188.86820 1037.48636
2015.0000 -200.89135 -191.01418 9.87717 2.82403 -191.11524 935.18850
2020.0000 -199.53128 -189.76310 9.76819 2.90208 -189.63026 1002.05925
2025.0000 -200.61807 -188.44860 12.16947 2.91675 -189.35116 989.24558
2030.0000 -201.85001 -192.59527 9.25474 2.90329 -189.60714 984.06517
2035.0000 -202.18869 -193.66357 8.52512 2.73302 -192.84707 877.62666
2040.0000 -201.85302 -192.04124 9.81178 2.74216 -192.67311 873.83540
2045.0000 -201.04210 -190.17175 10.87035 2.83943 -190.82223 938.68885
2050.0000 -200.85383 -189.61504 11.23880 2.91038 -189.47220 1003.98961
2055.0000 -200.51295 -191.64779 8.86516 2.83390 -190.92756 951.13787
2060.0000 -201.18991 -191.56227 9.62764 2.82607 -191.07641 954.82289
2065.0000 -201.47533 -191.34248 10.13286 2.76492 -192.24005 897.49584
2070.0000 -201.40962 -192.39676 9.01286 2.77546 -192.03941 913.60283
2075.0000 -199.31150 -188.25426 11.05724 2.81770 -191.23578 933.01179
2080.0000 -200.61763 -190.43804 10.17959 2.94537 -188.80652 1016.65966
2085.0000 -201.64917 -190.14280 11.50637 2.86953 -190.24964 978.50489
2090.0000 -200.18207 -189.44536 10.73670 2.90445 -189.58518 986.92860
2095.0000 -199.92262 -188.76683 11.15579 2.93256 -189.05020 1010.36343
2100.0000 -199.06277 -187.75016 11.31261 2.91853 -189.31712 1019.90073
2105.0000 -202.01263 -191.43519 10.57744 2.88802 -189.89774 986.90742
2110.0000 -199.84001 -189.00719 10.83282 2.87346 -190.17471 945.94772
2115.0000 -202.12660 -192.07106 10.05554 2.85424 -190.54046 950.80500
2120.0000 -200.46528 -191.01888 9.44640 2.80987 -191.38467 949.30604
2125.0000 -200.44319 -190.09348 10.34971 2.80824 -191.41572 896.19905
2130.0000 -202.88636 -193.11096 9.77539 2.82037 -191.18491 927.04655
2135.0000 -200.84396 -191.04650 9.79745 2.73732 -192.76528 883.66033
2140.0000 -200.29300 -190.82262 9.47038 2.83674 -190.87352 911.15763
2145.0000 -201.14230 -192.67997 8.46234 2.75782 -192.37513 900.40195
2150.0000 -199.51677 -191.73177 7.78500 2.83750 -190.85898 946.92830
2155.0000 -199.97836 -189.76755 10.21080 2.86342 -190.36589 948.34291
2160.0000 -201.74803 -191.10172 10.64631 2.85799 -190.46923 964.49116
2165.0000 -200.65710 -189.49996 11.15714 2.91264 -189.42921 987.20647
2170.0000 -198.84195 -187.93548 10.90646 2.91531 -189.37844 994.37172
2175.0000 -199.22949 -190.44770 8.78179 2.88054 -190.04007 984.72682
2180.0000 -202.38870 -192.87663 9.51207 2.79564 -191.65549 886.85829
2185.0000 -202.33052 -192.66894 9.66159 2.69280 -193.61224 869.42011
2190.0000 -202.35037 -191.28564 11.06473 2.81696 -191.24988 915.79342
2195.0000 -202.57860 -191.98520 10.59340 2.77783 -191.99441 905.37092
2200.0000 -202.12461 -190.65096 11.47365 2.79272 -191.71110 939.28128
2205.0000 -199.57589 -188.26156 11.31432 2.89085 -189.84393 1003.76394
2210.0000 -199.28870 -188.17457 11.11412 2.95640 -188.59653 997.47912
2215.0000 -200.83624 -189.69378 11.14246 2.96878 -188.36099 1017.75160
2220.0000 -199.37294 -189.07576 10.29718 2.92262 -189.23939 991.08561
2225.0000 -200.89393 -189.30045 11.59348 2.92076 -189.27478 997.58549
2230.0000 -201.23883 -191.46236 9.77646 2.87232 -190.19652 984.45332
2235.0000 -202.59800 -190.80151 11.79648 2.80729 -191.43376 941.80230
2240.0000 -200.32593 -191.04295 9.28298 2.87739 -190.09994 982.47282
2245.0000 -199.22424 -189.74620 9.47804 2.80917 -191.39809 954.06829
2250.0000 -201.25972 -190.67208 10.58765 2.84552 -190.70636 943.98897
FREEZING PROCESS: loop number 10 T-loop= 929.00000000000000
main_MD> interactions number 10 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33742 -2.06328 -0.31784
force_rgl> df(natom) -1.06402 4.08843 -0.39587
2255.0000 -202.84231 -192.88968 9.95263 2.80807 -191.41900 940.06293
2260.0000 -201.39251 -192.67585 8.71667 2.74468 -192.62510 893.71109
2265.0000 -202.41904 -192.73680 9.68225 2.68176 -193.82234 857.26823
2270.0000 -202.46303 -192.12097 10.34205 2.76210 -192.29376 887.19523
2275.0000 -201.34984 -190.75268 10.59716 2.77065 -192.13107 895.78436
2280.0000 -201.16151 -189.04457 12.11694 2.87628 -190.12110 964.22618
2285.0000 -201.90031 -191.42076 10.47955 2.88791 -189.89987 984.27555
2290.0000 -199.70405 -189.88241 9.82164 2.82467 -191.10315 962.20621
2295.0000 -200.47211 -189.85329 10.61881 2.85222 -190.57894 982.24508
2300.0000 -199.41622 -188.44875 10.96746 2.97934 -188.16021 1057.04929
2305.0000 -199.88724 -188.79479 11.09246 2.93870 -188.93351 1018.05767
2310.0000 -201.95608 -192.69744 9.25864 2.83108 -190.98109 940.12943
2315.0000 -201.48949 -191.49023 9.99926 2.79625 -191.64393 916.31411
2320.0000 -199.96540 -189.47293 10.49247 2.84100 -190.79234 960.01500
2325.0000 -199.94980 -189.25760 10.69220 2.94884 -188.74054 1036.91197
2330.0000 -201.38272 -190.45803 10.92469 2.89418 -189.78044 978.78471
2335.0000 -201.42133 -192.55506 8.86627 2.75156 -192.49427 903.50451
2340.0000 -200.96119 -192.49421 8.46698 2.78830 -191.79509 935.27728
2345.0000 -203.71725 -193.76567 9.95159 2.72546 -192.99091 872.58626
2350.0000 -201.34886 -191.59052 9.75835 2.69601 -193.55119 870.42945
2355.0000 -198.66473 -185.73100 12.93373 2.92880 -189.12175 1023.91051
2360.0000 -198.79904 -187.77433 11.02471 3.07000 -186.43513 1087.58758
2365.0000 -198.53708 -187.02346 11.51361 3.00446 -187.68222 1027.47226
2370.0000 -198.25304 -186.89644 11.35660 3.07857 -186.27199 1100.54677
2375.0000 -200.71941 -189.69703 11.02238 2.98817 -187.99216 1044.91768
2380.0000 -199.22641 -189.96318 9.26323 2.87438 -190.15728 974.82616
2385.0000 -200.29463 -188.77819 11.51644 2.84359 -190.74310 945.77936
2390.0000 -199.97939 -189.90100 10.07840 2.93337 -189.03492 1012.67739
2395.0000 -201.54407 -190.47155 11.07252 2.88375 -189.97898 965.25455
2400.0000 -199.15823 -189.31952 9.83871 2.87200 -190.20260 940.80389
2405.0000 -201.13128 -191.07533 10.05595 2.91647 -189.35635 973.98172
2410.0000 -203.12102 -194.77720 8.34382 2.72839 -192.93513 886.61823
2415.0000 -204.03609 -193.72766 10.30843 2.64275 -194.56458 814.08397
2420.0000 -202.43143 -193.22112 9.21031 2.74365 -192.64475 877.36575
2425.0000 -203.08506 -192.58526 10.49980 2.71018 -193.28156 902.08838
2430.0000 -202.80066 -194.41182 8.38884 2.68162 -193.82496 874.21380
2435.0000 -201.96418 -191.02719 10.93698 2.72865 -192.93014 885.20890
2440.0000 -200.61918 -192.21268 8.40650 2.79474 -191.67270 915.06871
2445.0000 -201.29457 -192.19191 9.10266 2.77477 -192.05263 903.56928
2450.0000 -201.39655 -193.13561 8.26093 2.72969 -192.91034 871.98282
2455.0000 -204.24182 -193.16944 11.07238 2.68083 -193.84007 871.78437
2460.0000 -202.42075 -193.88549 8.53525 2.74378 -192.64223 913.76200
2465.0000 -203.49468 -193.97520 9.51949 2.67900 -193.87487 872.46844
2470.0000 -203.96457 -194.17347 9.79110 2.65859 -194.26318 840.61171
2475.0000 -201.95420 -192.16463 9.78957 2.72479 -193.00371 868.87539
2480.0000 -200.89149 -190.71996 10.17153 2.77472 -192.05362 919.57149
2485.0000 -199.31028 -187.35237 11.95791 2.93444 -189.01449 990.87372
2490.0000 -198.54056 -188.38539 10.15516 2.95850 -188.55662 1009.12953
2495.0000 -199.38405 -188.52710 10.85695 2.93776 -188.95130 1009.35097
2500.0000 -200.32220 -189.91962 10.40258 2.99819 -187.80153 1044.94394
FREEZING PROCESS: loop number 11 T-loop= 904.00000000000000
main_MD> interactions number 11 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10831 1.94040 -2.15451
force_rgl> df(natom) -0.52332 -1.92340 -1.17167
2505.0000 -200.88160 -190.56736 10.31425 2.86737 -190.29067 978.32070
2510.0000 -201.37132 -192.23915 9.13217 2.78208 -191.91348 928.64231
2515.0000 -201.51609 -192.08481 9.43128 2.76770 -192.18706 895.91421
2520.0000 -202.77531 -194.11434 8.66097 2.69250 -193.61798 879.93445
2525.0000 -199.17825 -191.14682 8.03143 2.72248 -193.04761 878.05659
2530.0000 -201.88272 -192.82261 9.06011 2.79792 -191.61211 902.25675
2535.0000 -202.44678 -193.35258 9.09419 2.75179 -192.48983 899.92889
2540.0000 -200.02114 -189.67074 10.35040 2.80538 -191.47016 919.94445
2545.0000 -200.60421 -190.89366 9.71055 2.86120 -190.40813 970.65880
2550.0000 -200.66748 -190.46927 10.19821 2.84409 -190.73369 964.65079
2555.0000 -200.77962 -190.33059 10.44903 2.86383 -190.35797 961.65815
2560.0000 -202.62598 -191.78190 10.84408 2.81407 -191.30476 926.55315
2565.0000 -203.34195 -194.18707 9.15488 2.69226 -193.62258 874.35441
2570.0000 -202.75153 -192.86260 9.88893 2.69767 -193.51972 870.94524
2575.0000 -200.75609 -191.87732 8.87877 2.73067 -192.89181 861.28685
2580.0000 -198.95588 -190.08794 8.86794 2.84693 -190.67960 962.36584
2585.0000 -200.77161 -192.21084 8.56077 2.79338 -191.69844 907.84877
2590.0000 -203.03025 -193.40891 9.62133 2.77069 -192.13025 912.26636
2595.0000 -201.31772 -192.58990 8.72782 2.71051 -193.27538 868.78328
2600.0000 -202.29239 -191.66015 10.63224 2.75376 -192.45230 881.65649
2605.0000 -201.77728 -192.85825 8.91903 2.78950 -191.77233 921.69064
2610.0000 -203.33088 -194.58283 8.74805 2.71400 -193.20889 879.17939
2615.0000 -204.80492 -195.33672 9.46820 2.59228 -195.52496 794.11476
2620.0000 -202.64930 -192.73529 9.91401 2.67439 -193.96252 844.18099
2625.0000 -202.51218 -193.15429 9.35789 2.76910 -192.16046 919.90547
2630.0000 -203.54439 -192.91960 10.62479 2.73405 -192.82743 883.11674
2635.0000 -201.68300 -190.57529 11.10771 2.82525 -191.09212 969.89407
2640.0000 -202.33264 -191.17367 11.15897 2.80879 -191.40537 932.03807
2645.0000 -201.46356 -190.18836 11.27519 2.81345 -191.31670 954.92513
2650.0000 -200.55956 -191.71867 8.84089 2.79797 -191.61111 903.40041
2655.0000 -199.75469 -189.94986 9.80483 2.84686 -190.68096 920.55733
2660.0000 -200.67405 -190.76052 9.91353 2.85179 -190.58708 944.95589
2665.0000 -200.21901 -189.88960 10.32941 2.88969 -189.86601 996.01129
2670.0000 -200.09222 -190.96681 9.12541 2.84860 -190.64782 933.83235
2675.0000 -203.21162 -192.92882 10.28280 2.80383 -191.49976 891.22036
2680.0000 -202.29828 -193.03714 9.26114 2.70455 -193.38875 847.59622
2685.0000 -202.68535 -191.96066 10.72469 2.76754 -192.19025 883.06340
2690.0000 -201.23352 -192.92584 8.30768 2.80502 -191.47710 935.04904
2695.0000 -201.71778 -192.08422 9.63357 2.78426 -191.87202 908.25264
2700.0000 -200.80500 -191.36762 9.43738 2.77166 -192.11187 896.51819
2705.0000 -201.11318 -191.31663 9.79655 2.76048 -192.32449 903.78587
2710.0000 -199.56573 -189.99406 9.57167 2.85293 -190.56532 965.09390
2715.0000 -199.48282 -189.36132 10.12150 2.87920 -190.06565 991.58622
2720.0000 -201.64767 -190.97374 10.67393 2.83427 -190.92046 959.27191
2725.0000 -199.87990 -190.08774 9.79216 2.82681 -191.06250 941.72799
2730.0000 -200.23715 -189.90252 10.33463 2.86217 -190.38956 968.33679
2735.0000 -200.97034 -190.90559 10.06475 2.87766 -190.09494 981.65478
2740.0000 -200.37532 -190.41427 9.96105 2.81800 -191.23001 930.36463
2745.0000 -201.16702 -192.68833 8.47869 2.84867 -190.64641 943.96111
2750.0000 -201.53260 -192.74203 8.79057 2.73385 -192.83125 891.54896
FREEZING PROCESS: loop number 12 T-loop= 879.00000000000000
main_MD> interactions number 12 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09206 2.35916 -1.39564
force_rgl> df(natom) -0.16983 0.20817 -0.00417
2755.0000 -203.70361 -195.36611 8.33750 2.66130 -194.21166 830.33420
2760.0000 -200.68791 -191.41704 9.27087 2.66371 -194.16591 833.04271
2765.0000 -202.43259 -191.43555 10.99703 2.78644 -191.83064 919.02596
2770.0000 -203.09693 -193.36250 9.73443 2.73653 -192.78018 900.51311
2775.0000 -202.28521 -193.59381 8.69140 2.70850 -193.31356 862.86306
2780.0000 -203.22040 -193.58635 9.63405 2.72174 -193.06163 879.39578
2785.0000 -202.59731 -191.98690 10.61042 2.75373 -192.45295 922.35250
2790.0000 -201.18963 -191.27280 9.91683 2.78477 -191.86233 928.16251
2795.0000 -201.52674 -191.46598 10.06075 2.80345 -191.50682 943.39827
2800.0000 -200.69405 -190.86888 9.82518 2.84593 -190.69860 933.80280
2805.0000 -199.75343 -189.94869 9.80474 2.87211 -190.20044 944.01704
2810.0000 -202.91986 -193.17018 9.74969 2.79788 -191.61294 913.58557
2815.0000 -202.64777 -192.36026 10.28751 2.68774 -193.70868 830.27097
2820.0000 -201.66394 -192.16069 9.50325 2.78536 -191.85115 931.99756
2825.0000 -202.56189 -192.00926 10.55263 2.77770 -191.99681 929.34528
2830.0000 -200.59246 -189.92964 10.66282 2.86265 -190.38049 939.61624
2835.0000 -199.67225 -189.14863 10.52361 2.89397 -189.78445 966.25040
2840.0000 -202.49600 -193.06590 9.43010 2.80323 -191.51117 974.70152
2845.0000 -200.36155 -191.88864 8.47291 2.74506 -192.61792 873.19685
2850.0000 -201.95588 -191.77170 10.18418 2.78566 -191.84541 920.95253
2855.0000 -204.08538 -194.73142 9.35397 2.69874 -193.49928 880.01166
2860.0000 -203.66432 -194.67430 8.99002 2.68424 -193.77529 877.68158
2865.0000 -201.35597 -193.22746 8.12851 2.63535 -194.70550 828.57374
2870.0000 -202.17895 -193.42891 8.75005 2.76065 -192.32123 904.38167
2875.0000 -202.37390 -193.05639 9.31751 2.70226 -193.43238 865.12633
2880.0000 -203.03679 -194.34501 8.69178 2.68239 -193.81036 851.45325
2885.0000 -201.92709 -191.51539 10.41170 2.69522 -193.56625 859.61394
2890.0000 -200.14589 -190.95769 9.18820 2.81874 -191.21596 926.93936
2895.0000 -200.76752 -191.57009 9.19743 2.86116 -190.40884 948.09505
2900.0000 -201.37293 -191.19603 10.17690 2.83390 -190.92754 935.11607
2905.0000 -202.17253 -192.08105 10.09148 2.75928 -192.34735 861.77879
2910.0000 -203.02961 -193.10999 9.91962 2.78484 -191.86094 905.31212
2915.0000 -203.60216 -193.59251 10.00964 2.70870 -193.30969 853.48562
2920.0000 -202.07983 -193.54870 8.53113 2.69304 -193.60777 872.23797
2925.0000 -201.33086 -192.54429 8.78657 2.71616 -193.16781 865.50385
2930.0000 -203.57708 -193.63454 9.94254 2.71149 -193.25660 856.33393
2935.0000 -202.36815 -193.59510 8.77304 2.67342 -193.98102 846.67955
2940.0000 -201.35939 -193.06084 8.29855 2.73689 -192.77333 878.92721
2945.0000 -202.95932 -191.24603 11.71330 2.76402 -192.25710 900.12288
2950.0000 -203.11174 -191.92584 11.18591 2.80455 -191.48598 908.05570
2955.0000 -199.37967 -189.93286 9.44681 2.82929 -191.01516 932.59913
2960.0000 -202.74463 -192.52063 10.22400 2.87965 -190.05706 1000.95324
2965.0000 -201.64880 -191.80876 9.84004 2.80335 -191.50874 935.21532
2970.0000 -202.36955 -191.56299 10.80655 2.79082 -191.74719 927.34859
2975.0000 -202.07785 -192.72831 9.34955 2.78626 -191.83390 931.04397
2980.0000 -203.20183 -193.27709 9.92474 2.75899 -192.35280 897.87309
2985.0000 -201.12099 -193.34749 7.77350 2.69751 -193.52272 833.05401
2990.0000 -200.87272 -190.72547 10.14726 2.80652 -191.44848 890.91000
2995.0000 -201.60706 -191.44921 10.15785 2.85730 -190.48228 964.86462
3000.0000 -203.36886 -195.31652 8.05234 2.69137 -193.63943 870.43446
FREEZING PROCESS: loop number 13 T-loop= 854.00000000000000
main_MD> interactions number 13 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54806 1.62547 3.65290
force_rgl> df(natom) -0.75354 -0.61566 1.55639
3005.0000 -202.99543 -193.90311 9.09232 2.61718 -195.05121 793.16743
3010.0000 -202.92160 -193.47556 9.44603 2.66063 -194.22450 812.41395
3015.0000 -202.19124 -194.38002 7.81123 2.66780 -194.08798 835.64265
3020.0000 -201.59558 -191.93058 9.66499 2.66636 -194.11545 841.90395
3025.0000 -202.25867 -191.84119 10.41748 2.78266 -191.90257 917.35693
3030.0000 -202.22431 -192.83823 9.38608 2.77372 -192.07250 906.84430
3035.0000 -200.28861 -191.65349 8.63512 2.77614 -192.02659 927.09100
3040.0000 -202.90250 -193.78911 9.11339 2.72800 -192.94261 884.94711
3045.0000 -201.34364 -190.40337 10.94027 2.76818 -192.17796 909.92755
3050.0000 -201.82999 -192.48407 9.34592 2.80075 -191.55819 907.54151
3055.0000 -202.43968 -192.06629 10.37339 2.73226 -192.86153 882.35787
3060.0000 -202.27188 -192.72729 9.54459 2.74090 -192.69704 883.04961
3065.0000 -202.39912 -194.01973 8.37939 2.71063 -193.27302 858.21814
3070.0000 -203.38639 -194.44989 8.93650 2.65047 -194.41775 834.15292
3075.0000 -203.07395 -193.27340 9.80055 2.73701 -192.77106 844.50134
3080.0000 -201.14302 -191.60972 9.53330 2.74260 -192.66476 866.43924
3085.0000 -203.58768 -193.70715 9.88053 2.77672 -192.01557 913.90515
3090.0000 -201.11275 -191.48422 9.62853 2.72657 -192.96975 879.31374
3095.0000 -201.67831 -191.65835 10.01996 2.78500 -191.85797 910.97052
3100.0000 -203.48253 -195.00665 8.47589 2.67319 -193.98553 828.47926
3105.0000 -202.91873 -194.83229 8.08644 2.63304 -194.74932 804.88749
3110.0000 -203.26138 -193.76475 9.49664 2.65621 -194.30851 835.64473
3115.0000 -204.22220 -194.09679 10.12541 2.67088 -194.02935 853.94472
3120.0000 -204.28437 -195.49885 8.78552 2.61252 -195.13985 834.36161
3125.0000 -202.87832 -194.64945 8.22888 2.62077 -194.98278 811.19927
3130.0000 -203.24148 -192.81241 10.42907 2.69050 -193.65601 865.21041
3135.0000 -201.20074 -192.52884 8.67190 2.76084 -192.31759 893.38350
3140.0000 -202.29508 -191.42804 10.86703 2.76830 -192.17564 936.60955
3145.0000 -202.65135 -191.70358 10.94776 2.78912 -191.77952 916.98110
3150.0000 -200.31093 -191.25596 9.05497 2.78632 -191.83293 909.49573
3155.0000 -202.45387 -193.91352 8.54035 2.76373 -192.26269 907.07476
3160.0000 -202.83285 -192.89846 9.93439 2.71550 -193.18043 888.51406
3165.0000 -204.15036 -193.54202 10.60834 2.70161 -193.44470 846.61589
3170.0000 -203.27541 -193.55184 9.72357 2.66309 -194.17754 843.48113
3175.0000 -202.34202 -192.77399 9.56803 2.73035 -192.89784 859.91257
3180.0000 -202.99567 -193.94171 9.05396 2.70964 -193.29197 853.86922
3185.0000 -203.99429 -194.62514 9.36915 2.69222 -193.62341 857.05801
3190.0000 -201.93636 -192.85566 9.08070 2.69828 -193.50809 865.85761
3195.0000 -203.58140 -193.81821 9.76319 2.69733 -193.52611 866.70732
3200.0000 -203.00440 -193.87028 9.13412 2.67603 -193.93143 856.14428
3205.0000 -202.72212 -193.28843 9.43369 2.70864 -193.31099 844.59509
3210.0000 -201.71692 -192.36347 9.35346 2.72064 -193.08254 873.99427
3215.0000 -202.88748 -193.18430 9.70317 2.71511 -193.18788 859.77711
3220.0000 -204.36569 -194.26219 10.10350 2.72547 -192.99061 871.35235
3225.0000 -203.51831 -192.89756 10.62075 2.70415 -193.39633 878.68370
3230.0000 -202.55623 -193.10274 9.45349 2.71229 -193.24140 866.18225
3235.0000 -203.11071 -194.49279 8.61792 2.67975 -193.86062 844.61996
3240.0000 -202.42448 -193.34122 9.08326 2.65338 -194.36248 814.39615
3245.0000 -202.61736 -193.36660 9.25076 2.71180 -193.25074 831.40972
3250.0000 -202.65648 -192.68695 9.96953 2.67905 -193.87403 857.72872
FREEZING PROCESS: loop number 14 T-loop= 829.00000000000000
main_MD> interactions number 14 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.55554 -0.57864 -0.21701
force_rgl> df(natom) 8.73183 -7.49723 1.64291
3255.0000 -202.82270 -193.34129 9.48141 2.73524 -192.80477 881.81161
3260.0000 -204.45366 -196.36444 8.08922 2.64861 -194.45318 842.78961
3265.0000 -204.97751 -195.45461 9.52290 2.56995 -195.94978 802.51534
3270.0000 -204.79271 -196.74333 8.04938 2.58645 -195.63591 794.16084
3275.0000 -202.54589 -193.57805 8.96784 2.65209 -194.38694 840.14007
3280.0000 -201.56028 -191.47579 10.08449 2.74025 -192.70946 888.21523
3285.0000 -201.35022 -192.55420 8.79602 2.74399 -192.63832 883.28334
3290.0000 -203.71497 -193.28124 10.43374 2.72141 -193.06788 898.21623
3295.0000 -202.79585 -194.24318 8.55267 2.71498 -193.19035 859.23097
3300.0000 -201.19964 -192.56698 8.63266 2.70559 -193.36890 864.90244
3305.0000 -201.64712 -191.49622 10.15090 2.82678 -191.06308 935.39289
3310.0000 -203.10524 -194.84585 8.25939 2.71828 -193.12753 875.44658
3315.0000 -202.16408 -194.66156 7.50252 2.62388 -194.92371 812.66401
3320.0000 -202.18576 -194.99370 7.19207 2.58963 -195.57538 803.89618
3325.0000 -202.87094 -195.44307 7.42787 2.57079 -195.93392 764.25613
3330.0000 -204.57654 -195.49432 9.08222 2.58384 -195.68558 774.28772
3335.0000 -203.74976 -195.44721 8.30256 2.59218 -195.52691 779.85960
3340.0000 -204.10311 -195.15536 8.94775 2.64868 -194.45182 835.50106
3345.0000 -202.63447 -194.34907 8.28540 2.64918 -194.44239 838.17432
3350.0000 -205.05174 -196.11809 8.93365 2.62992 -194.80882 832.14125
3355.0000 -204.52093 -194.59095 9.92998 2.60134 -195.35259 797.53000
3360.0000 -203.46422 -194.31878 9.14543 2.70349 -193.40898 856.24183
3365.0000 -204.41049 -195.29587 9.11462 2.59942 -195.38917 781.23460
3370.0000 -204.17571 -194.94903 9.22668 2.58876 -195.59193 800.70029
3375.0000 -205.12326 -196.18041 8.94285 2.62408 -194.91982 812.43842
3380.0000 -204.30991 -194.76314 9.54677 2.64484 -194.52480 859.91762
3385.0000 -205.33935 -196.71466 8.62469 2.56695 -196.00696 771.51848
3390.0000 -204.20485 -196.11814 8.08671 2.56124 -196.11557 779.00306
3395.0000 -204.41986 -196.02512 8.39474 2.56581 -196.02858 767.09819
3400.0000 -204.10465 -195.98419 8.12046 2.60613 -195.26144 784.58893
3405.0000 -202.72187 -195.27743 7.44445 2.59759 -195.42393 814.93569
3410.0000 -205.24133 -195.55743 9.68390 2.60834 -195.21945 809.71812
3415.0000 -206.03759 -197.66828 8.36930 2.53273 -196.65812 765.70525
3420.0000 -203.16594 -193.16555 10.00039 2.59002 -195.56799 806.24511
3425.0000 -204.20155 -194.51302 9.68852 2.67514 -193.94839 854.56526
3430.0000 -204.32659 -194.43433 9.89226 2.62336 -194.93360 815.60613
3435.0000 -203.49811 -193.45147 10.04664 2.69021 -193.66154 855.40452
3440.0000 -201.53761 -191.99360 9.54400 2.67936 -193.86800 874.17427
3445.0000 -205.44264 -196.82297 8.61966 2.63441 -194.72330 856.31090
3450.0000 -203.40265 -194.58814 8.81451 2.61122 -195.16451 814.68005
3455.0000 -203.74407 -193.94322 9.80085 2.67014 -194.04348 820.48738
3460.0000 -203.55045 -194.53596 9.01450 2.66082 -194.22074 832.02700
3465.0000 -202.58478 -193.46345 9.12133 2.69144 -193.63824 841.16874
3470.0000 -203.46037 -194.30568 9.15469 2.67750 -193.90344 852.80407
3475.0000 -203.61155 -194.91688 8.69467 2.68493 -193.76199 862.30900
3480.0000 -201.52002 -192.43048 9.08955 2.68530 -193.75507 838.76505
3485.0000 -201.85495 -192.21650 9.63846 2.73361 -192.83580 854.59766
3490.0000 -201.55741 -192.46244 9.09497 2.75755 -192.38025 882.99244
3495.0000 -201.95376 -193.15823 8.79553 2.69786 -193.51597 869.57568
3500.0000 -203.66477 -195.17307 8.49170 2.70198 -193.43759 859.02553
FREEZING PROCESS: loop number 15 T-loop= 804.00000000000000
main_MD> interactions number 15 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.44063 1.03692 0.15188
force_rgl> df(natom) 1.69985 -0.95180 -1.42500
3505.0000 -203.71339 -194.70837 9.00502 2.63094 -194.78944 805.54369
3510.0000 -203.44162 -193.96197 9.47965 2.71057 -193.27420 879.77238
3515.0000 -203.05779 -193.84646 9.21132 2.71835 -193.12621 883.01241
3520.0000 -203.93921 -196.42672 7.51249 2.58428 -195.67714 765.99440
3525.0000 -205.40650 -196.81995 8.58654 2.58363 -195.68958 779.58950
3530.0000 -204.76240 -196.97194 7.79047 2.50588 -197.16892 734.57880
3535.0000 -204.55676 -196.63260 7.92417 2.47835 -197.69274 699.84269
3540.0000 -204.38854 -196.13116 8.25738 2.54896 -196.34932 779.72287
3545.0000 -205.95811 -198.33477 7.62333 2.50946 -197.10087 760.24113
3550.0000 -201.89380 -194.13688 7.75692 2.55853 -196.16725 765.54956
3555.0000 -203.32841 -194.01318 9.31523 2.67934 -193.86839 834.57231
3560.0000 -202.79353 -194.28249 8.51104 2.66869 -194.07116 822.90292
3565.0000 -202.12179 -193.93013 8.19166 2.65831 -194.26857 816.98267
3570.0000 -203.04157 -194.82620 8.21536 2.64297 -194.56044 820.29541
3575.0000 -206.09883 -196.62785 9.47098 2.58287 -195.70404 785.80658
3580.0000 -204.33949 -195.21476 9.12473 2.58674 -195.63045 799.28006
3585.0000 -203.31717 -194.83624 8.48093 2.60839 -195.21846 794.70412
3590.0000 -202.87181 -195.13596 7.73585 2.64649 -194.49345 824.95036
3595.0000 -202.12042 -192.72465 9.39577 2.66801 -194.08393 852.84594
3600.0000 -203.41980 -195.02629 8.39352 2.64179 -194.58287 808.15230
3605.0000 -204.12234 -194.82306 9.29928 2.64515 -194.51898 832.30633
3610.0000 -205.02745 -195.46992 9.55753 2.56849 -195.97763 782.71432
3615.0000 -203.44276 -194.18036 9.26240 2.63967 -194.62325 821.12885
3620.0000 -204.35438 -193.72975 10.62463 2.70157 -193.44544 866.43267
3625.0000 -203.67009 -194.78065 8.88944 2.66801 -194.08399 865.78487
3630.0000 -203.40827 -195.07153 8.33674 2.60579 -195.26786 783.17174
3635.0000 -202.24590 -195.39812 6.84778 2.62269 -194.94636 785.66765
3640.0000 -203.83169 -194.32073 9.51096 2.64101 -194.59780 810.45931
3645.0000 -204.55085 -194.00182 10.54903 2.62635 -194.87668 811.51662
3650.0000 -202.34513 -194.00959 8.33555 2.68606 -193.74059 874.39567
3655.0000 -203.03221 -194.16631 8.86590 2.67508 -193.94941 841.64963
3660.0000 -204.74638 -196.00294 8.74345 2.66461 -194.14865 832.08481
3665.0000 -204.57000 -195.26842 9.30159 2.62088 -194.98082 822.79326
3670.0000 -203.03295 -193.82553 9.20742 2.61291 -195.13237 798.52053
3675.0000 -202.76531 -193.47195 9.29335 2.68764 -193.71054 855.73317
3680.0000 -203.35931 -193.89351 9.46580 2.70208 -193.43567 854.28479
3685.0000 -203.48957 -195.32624 8.16333 2.59015 -195.56552 799.99449
3690.0000 -204.48434 -195.54049 8.94385 2.61873 -195.02169 832.99717
3695.0000 -205.36583 -196.68811 8.67772 2.55907 -196.15694 783.88894
3700.0000 -204.47539 -195.57296 8.90243 2.59148 -195.54011 819.92876
3705.0000 -204.07244 -194.63225 9.44020 2.58376 -195.68718 781.68767
3710.0000 -203.91367 -195.36586 8.54781 2.58969 -195.57423 791.59946
3715.0000 -202.27366 -193.50418 8.76947 2.65230 -194.38285 828.58858
3720.0000 -203.98152 -196.06461 7.91691 2.63614 -194.69036 818.39839
3725.0000 -202.45946 -194.27226 8.18720 2.60484 -195.28608 797.42165
3730.0000 -202.86427 -193.94207 8.92220 2.67725 -193.90819 854.57016
3735.0000 -202.28035 -193.49254 8.78781 2.67106 -194.02594 863.45005
3740.0000 -203.19406 -194.50739 8.68666 2.66125 -194.21260 849.54019
3745.0000 -204.19919 -195.92761 8.27158 2.63504 -194.71138 781.06338
3750.0000 -203.37838 -195.16190 8.21647 2.55603 -196.21482 739.37413
FREEZING PROCESS: loop number 16 T-loop= 779.00000000000000
main_MD> interactions number 16 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19764 -1.39857 0.70459
force_rgl> df(natom) -1.85028 -2.98899 -0.41983
3755.0000 -205.03343 -196.97649 8.05694 2.57622 -195.83051 771.19208
3760.0000 -203.71261 -195.98942 7.72319 2.55442 -196.24532 763.05014
3765.0000 -204.82453 -196.29159 8.53294 2.56059 -196.12799 755.87557
3770.0000 -204.26243 -196.33675 7.92568 2.57179 -195.91492 781.99350
3775.0000 -203.39822 -194.98249 8.41572 2.61225 -195.14490 795.17264
3780.0000 -203.06385 -195.51418 7.54967 2.60784 -195.22887 805.04812
3785.0000 -203.59094 -195.12181 8.46913 2.63106 -194.78701 831.81835
3790.0000 -201.84366 -193.36120 8.48246 2.66712 -194.10096 850.71917
3795.0000 -204.16986 -195.44910 8.72076 2.62086 -194.98122 790.91655
3800.0000 -203.99789 -197.08357 6.91432 2.54668 -196.39260 737.06622
3805.0000 -204.77823 -196.74206 8.03616 2.54557 -196.41385 762.44075
3810.0000 -205.06442 -196.48780 8.57662 2.52706 -196.76594 765.21823
3815.0000 -204.80861 -196.46480 8.34381 2.55124 -196.30579 778.97670
3820.0000 -205.55740 -196.25771 9.29968 2.51812 -196.93605 768.54124
3825.0000 -204.96013 -195.95044 9.00970 2.61051 -195.17807 839.71876
3830.0000 -203.87991 -195.18655 8.69336 2.66046 -194.22759 824.14849
3835.0000 -203.41538 -195.29886 8.11653 2.62197 -194.96003 793.34345
3840.0000 -203.15082 -194.22003 8.93079 2.63829 -194.64950 798.79791
3845.0000 -205.36591 -196.18822 9.17769 2.57977 -195.76301 799.16087
3850.0000 -205.00586 -197.22121 7.78465 2.54483 -196.42776 764.75921
3855.0000 -205.18035 -197.04224 8.13811 2.52168 -196.86834 753.81279
3860.0000 -205.57024 -196.93366 8.63657 2.53313 -196.65054 773.48295
3865.0000 -205.24411 -196.70619 8.53792 2.52530 -196.79942 763.32383
3870.0000 -203.14484 -195.69673 7.44810 2.52818 -196.74461 742.61503
3875.0000 -204.92303 -196.23748 8.68555 2.57965 -195.76537 774.56452
3880.0000 -203.62847 -195.63641 7.99205 2.58644 -195.63610 810.45784
3885.0000 -203.93461 -194.81215 9.12246 2.63805 -194.65412 815.71037
3890.0000 -204.42991 -195.23965 9.19026 2.61970 -195.00314 807.47922
3895.0000 -204.53525 -196.46249 8.07276 2.55050 -196.31997 779.26647
3900.0000 -204.74425 -196.11289 8.63136 2.56851 -195.97724 801.91418
3905.0000 -203.88667 -195.77322 8.11345 2.57849 -195.78730 770.21748
3910.0000 -205.02827 -196.54698 8.48129 2.61685 -195.05738 822.77863
3915.0000 -204.70211 -196.26019 8.44192 2.49611 -197.35494 736.27291
3920.0000 -204.14275 -195.02140 9.12136 2.57157 -195.91901 791.24788
3925.0000 -203.19454 -195.15176 8.04278 2.59733 -195.42894 789.41402
3930.0000 -205.70410 -196.62885 9.07525 2.57385 -195.87573 785.83243
3935.0000 -204.16133 -195.27024 8.89109 2.50288 -197.22598 709.89334
3940.0000 -204.29269 -195.82997 8.46272 2.56656 -196.01435 760.81054
3945.0000 -204.20128 -194.97121 9.23007 2.58790 -195.60828 771.25132
3950.0000 -205.04966 -197.28152 7.76814 2.56304 -196.08144 780.64629
3955.0000 -204.76939 -197.36576 7.40363 2.48566 -197.55380 736.59204
3960.0000 -205.13767 -196.32121 8.81646 2.55336 -196.26553 764.80365
3965.0000 -204.81979 -196.27644 8.54335 2.53298 -196.65324 758.64882
3970.0000 -203.62928 -194.53099 9.09829 2.56797 -195.98763 774.73812
3975.0000 -204.23065 -196.35061 7.88005 2.56383 -196.06633 777.42515
3980.0000 -204.62241 -195.06206 9.56035 2.58975 -195.57308 762.59308
3985.0000 -204.70403 -195.51952 9.18451 2.59316 -195.50824 784.61589
3990.0000 -204.85788 -196.64596 8.21192 2.51387 -197.01691 733.13889
3995.0000 -203.79492 -195.96153 7.83340 2.52123 -196.87695 743.54402
4000.0000 -204.74799 -196.60887 8.13912 2.54852 -196.35767 759.10319
FREEZING PROCESS: loop number 17 T-loop= 754.00000000000000
main_MD> interactions number 17 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03642 -3.16738 2.01244
force_rgl> df(natom) -3.47017 -7.12965 -3.14152
4005.0000 -205.99553 -197.41723 8.57831 2.53368 -196.64005 757.62796
4010.0000 -205.89590 -198.00663 7.88927 2.45418 -198.15270 701.81420
4015.0000 -206.00138 -198.68908 7.31230 2.45356 -198.16448 708.12439
4020.0000 -206.59445 -199.72471 6.86974 2.42746 -198.66107 706.17509
4025.0000 -207.03898 -199.31963 7.71935 2.37251 -199.70675 667.12289
4030.0000 -206.52771 -198.07834 8.44937 2.38734 -199.42454 664.31322
4035.0000 -205.00811 -196.86380 8.14430 2.47931 -197.67447 711.74437
4040.0000 -204.24745 -196.25905 7.98840 2.52018 -196.89685 752.62818
4045.0000 -205.83897 -196.93268 8.90629 2.54539 -196.41724 753.68984
4050.0000 -204.62472 -197.56798 7.05674 2.50292 -197.22523 741.78714
4055.0000 -204.58598 -196.05503 8.53095 2.52031 -196.89445 751.79915
4060.0000 -203.99228 -195.79798 8.19430 2.53393 -196.63530 767.76599
4065.0000 -204.23608 -194.69532 9.54076 2.61179 -195.15366 798.01362
4070.0000 -204.62638 -195.68163 8.94475 2.64367 -194.54718 843.78976
4075.0000 -203.89738 -196.20812 7.68926 2.57187 -195.91335 787.24433
4080.0000 -204.44586 -195.66705 8.77881 2.56986 -195.95165 784.36089
4085.0000 -204.24533 -196.44466 7.80068 2.57885 -195.78050 796.71972
4090.0000 -206.54810 -198.03087 8.51723 2.48491 -197.56790 729.06861
4095.0000 -205.49811 -197.12394 8.37417 2.47810 -197.69747 730.39695
4100.0000 -203.92715 -196.36690 7.56026 2.51345 -197.02491 749.83760
4105.0000 -204.06202 -196.15249 7.90953 2.57052 -195.93907 803.65984
4110.0000 -206.29870 -198.35947 7.93923 2.50519 -197.18204 745.79319
4115.0000 -204.74475 -196.27717 8.46758 2.47418 -197.77216 713.00203
4120.0000 -203.73650 -196.08602 7.65048 2.53063 -196.69809 770.37749
4125.0000 -205.02074 -197.05168 7.96906 2.55341 -196.26457 795.78237
4130.0000 -203.82254 -194.50445 9.31809 2.55206 -196.29019 749.12377
4135.0000 -203.19795 -196.07322 7.12473 2.58502 -195.66302 798.29538
4140.0000 -204.08849 -194.88542 9.20307 2.56353 -196.07209 757.47164
4145.0000 -203.86725 -195.55627 8.31098 2.57668 -195.82182 802.76555
4150.0000 -204.04063 -195.69900 8.34163 2.58943 -195.57914 794.85159
4155.0000 -204.37639 -195.54432 8.83207 2.55817 -196.17410 771.29791
4160.0000 -204.06193 -194.95605 9.10588 2.64552 -194.51186 843.08921
4165.0000 -204.45410 -196.11544 8.33866 2.59486 -195.47583 780.95196
4170.0000 -204.28523 -195.49208 8.79315 2.61129 -195.16320 803.86723
4175.0000 -204.13817 -196.19345 7.94471 2.59650 -195.44471 809.68053
4180.0000 -205.75887 -197.66751 8.09135 2.51092 -197.07302 738.25831
4185.0000 -203.83189 -196.88985 6.94204 2.48701 -197.52795 705.26574
4190.0000 -205.53512 -197.65407 7.88105 2.50979 -197.09454 726.67219
4195.0000 -205.04716 -197.39748 7.64969 2.49691 -197.33958 747.13427
4200.0000 -202.58147 -194.99931 7.58216 2.55203 -196.29091 768.34749
4205.0000 -204.79049 -195.76510 9.02539 2.65789 -194.27649 834.56939
4210.0000 -203.82364 -195.09897 8.72467 2.61233 -195.14342 827.87743
4215.0000 -204.11407 -196.12955 7.98451 2.59605 -195.45323 784.56025
4220.0000 -205.02324 -198.22004 6.80321 2.51924 -196.91473 736.08829
4225.0000 -205.51499 -198.22825 7.28673 2.45041 -198.22434 708.58076
4230.0000 -204.81456 -196.87212 7.94244 2.51666 -196.96386 712.15633
4235.0000 -205.17347 -195.96837 9.20510 2.49715 -197.33511 705.39482
4240.0000 -205.67146 -196.93719 8.73427 2.52314 -196.84052 754.42775
4245.0000 -205.96731 -199.03993 6.92737 2.47112 -197.83031 736.29691
4250.0000 -203.99301 -196.12105 7.87196 2.51316 -197.03040 753.12815
FREEZING PROCESS: loop number 18 T-loop= 729.00000000000000
main_MD> interactions number 18 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01389 0.13737 -1.98275
force_rgl> df(natom) -1.73019 -2.12094 -1.97527
4255.0000 -204.69743 -195.05672 9.64071 2.56727 -196.00080 782.54551
4260.0000 -204.82636 -196.84534 7.98103 2.58009 -195.75700 792.44612
4265.0000 -203.82307 -196.48940 7.33368 2.52243 -196.85409 758.66125
4270.0000 -205.90548 -199.11097 6.79451 2.46025 -198.03725 671.66891
4275.0000 -204.85769 -196.90338 7.95432 2.45674 -198.10397 722.13639
4280.0000 -205.66946 -197.25771 8.41174 2.47181 -197.81719 735.71680
4285.0000 -205.73653 -197.52844 8.20809 2.50420 -197.20097 753.61683
4290.0000 -205.52840 -196.93468 8.59372 2.52751 -196.75740 749.05167
4295.0000 -206.42148 -198.53864 7.88284 2.48988 -197.47349 723.85601
4300.0000 -205.68985 -198.76870 6.92116 2.44220 -198.38061 701.02103
4305.0000 -206.11813 -198.08398 8.03415 2.44632 -198.30223 708.47548
4310.0000 -205.80115 -196.85477 8.94638 2.51206 -197.05144 743.95669
4315.0000 -204.73379 -197.94902 6.78477 2.49899 -197.30001 734.94951
4320.0000 -203.00381 -194.86948 8.13434 2.58231 -195.71465 784.75883
4325.0000 -203.38461 -195.38309 8.00153 2.64167 -194.58517 821.27808
4330.0000 -204.29439 -197.46973 6.82465 2.57517 -195.85062 797.83704
4335.0000 -205.75794 -198.31367 7.44426 2.50097 -197.26246 737.67659
4340.0000 -205.48549 -198.11784 7.36764 2.45053 -198.22217 706.46341
4345.0000 -204.47542 -195.73861 8.73681 2.51526 -196.99056 732.65451
4350.0000 -205.40720 -198.51736 6.88983 2.51214 -197.04984 743.33690
4355.0000 -205.38252 -197.92454 7.45798 2.49370 -197.40073 721.22033
4360.0000 -204.63674 -196.21494 8.42180 2.50956 -197.09896 765.75851
4365.0000 -205.46173 -198.33907 7.12266 2.50584 -197.16976 747.25175
4370.0000 -206.41084 -198.89778 7.51306 2.44917 -198.24798 713.56260
4375.0000 -206.25918 -199.38986 6.86932 2.39084 -199.35789 675.49012
4380.0000 -205.38087 -197.70975 7.67113 2.46088 -198.02523 714.36939
4385.0000 -205.00388 -196.84647 8.15741 2.46672 -197.91409 704.06278
4390.0000 -204.65887 -196.69064 7.96823 2.54653 -196.39552 771.74283
4395.0000 -204.54739 -197.12627 7.42111 2.50199 -197.24293 717.70512
4400.0000 -205.67991 -198.22507 7.45484 2.48413 -197.58278 719.53713
4405.0000 -204.95852 -197.08258 7.87594 2.45192 -198.19563 714.54838
4410.0000 -203.00735 -194.81730 8.19005 2.55594 -196.21637 765.82880
4415.0000 -205.45920 -197.26779 8.19140 2.53415 -196.63103 762.46942
4420.0000 -205.48337 -197.98251 7.50086 2.48760 -197.51688 702.26048
4425.0000 -204.79494 -197.44542 7.34952 2.46514 -197.94419 730.05713
4430.0000 -205.29589 -197.96649 7.32940 2.51004 -197.08974 739.62839
4435.0000 -205.13681 -197.37351 7.76330 2.49205 -197.43213 722.89192
4440.0000 -206.41243 -197.99264 8.41979 2.48465 -197.57289 754.49446
4445.0000 -205.15577 -197.28411 7.87166 2.46758 -197.89773 704.29559
4450.0000 -204.89340 -196.46765 8.42574 2.54586 -196.40816 768.25416
4455.0000 -203.95710 -195.94548 8.01161 2.55627 -196.21008 777.20806
4460.0000 -202.88922 -194.21657 8.67265 2.57194 -195.91201 760.14042
4465.0000 -205.87847 -197.22969 8.64878 2.58386 -195.68522 784.41874
4470.0000 -204.73998 -196.25966 8.48032 2.45183 -198.19734 704.95021
4475.0000 -205.36401 -197.43759 7.92641 2.49540 -197.36838 763.49320
4480.0000 -203.96689 -195.84026 8.12664 2.52834 -196.74163 777.40977
4485.0000 -204.22681 -195.48575 8.74106 2.60693 -195.24630 818.66439
4490.0000 -204.78154 -197.29205 7.48949 2.55342 -196.26435 772.82979
4495.0000 -204.30173 -195.74910 8.55263 2.57930 -195.77186 788.80543
4500.0000 -205.73149 -198.33872 7.39277 2.54295 -196.46359 768.54923
FREEZING PROCESS: loop number 19 T-loop= 704.00000000000000
main_MD> interactions number 19 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76417 1.29353 -6.22521
force_rgl> df(natom) -2.74506 -2.35632 0.55884
4505.0000 -204.91376 -198.05592 6.85783 2.42409 -198.72531 700.55245
4510.0000 -206.18077 -198.93550 7.24527 2.41491 -198.89990 691.68979
4515.0000 -206.45548 -200.14242 6.31306 2.39913 -199.20012 680.92166
4520.0000 -205.80561 -198.38302 7.42259 2.40964 -199.00013 671.33078
4525.0000 -205.36452 -197.61910 7.74542 2.50086 -197.26446 738.32192
4530.0000 -206.21568 -198.94798 7.26770 2.40792 -199.03300 659.41253
4535.0000 -204.62096 -195.64606 8.97490 2.51612 -196.97416 737.30018
4540.0000 -206.13262 -196.91219 9.22043 2.51453 -197.00429 741.46937
4545.0000 -203.70397 -196.24806 7.45590 2.50904 -197.10876 726.37910
4550.0000 -205.32870 -198.44022 6.88848 2.53635 -196.58910 745.66482
4555.0000 -205.55780 -198.93749 6.62031 2.41590 -198.88101 675.56417
4560.0000 -205.60907 -198.54064 7.06844 2.42129 -198.77856 678.46152
4565.0000 -207.07830 -200.13433 6.94397 2.36016 -199.94160 644.36866
4570.0000 -206.01165 -198.46440 7.54725 2.37653 -199.63028 651.97223
4575.0000 -205.66987 -198.42512 7.24475 2.45314 -198.17247 710.82952
4580.0000 -206.36102 -199.51337 6.84764 2.45071 -198.21871 711.17847
4585.0000 -204.72405 -198.18169 6.54236 2.46028 -198.03657 694.34967
4590.0000 -205.22817 -198.39811 6.83006 2.44181 -198.38803 671.27912
4595.0000 -206.93417 -197.98181 8.95236 2.45523 -198.13281 712.00703
4600.0000 -206.37221 -199.23863 7.13358 2.40913 -199.00982 691.12127
4605.0000 -205.79810 -197.37072 8.42738 2.46406 -197.96473 717.07121
4610.0000 -206.17583 -198.13470 8.04114 2.44955 -198.24079 709.77708
4615.0000 -205.72836 -197.27480 8.45357 2.46923 -197.86635 691.88571
4620.0000 -206.32744 -199.81036 6.51708 2.42906 -198.63059 685.48233
4625.0000 -206.61989 -200.32603 6.29386 2.36967 -199.76074 656.35164
4630.0000 -206.29948 -199.49124 6.80825 2.37375 -199.68313 643.18159
4635.0000 -204.87182 -196.75534 8.11648 2.45544 -198.12865 699.95118
4640.0000 -206.77556 -198.34977 8.42579 2.48023 -197.65707 717.38106
4645.0000 -206.65624 -198.22074 8.43550 2.45628 -198.11277 730.23496
4650.0000 -205.73636 -197.75122 7.98514 2.42274 -198.75088 708.11771
4655.0000 -206.02401 -197.35266 8.67135 2.46425 -197.96107 741.62270
4660.0000 -206.11514 -198.20131 7.91383 2.49866 -197.30636 722.84789
4665.0000 -206.41760 -200.22178 6.19582 2.39819 -199.21800 667.34829
4670.0000 -206.96836 -199.56016 7.40820 2.39326 -199.31189 660.88394
4675.0000 -207.12196 -200.77427 6.34769 2.34471 -200.23568 644.79932
4680.0000 -205.36197 -198.97407 6.38790 2.38883 -199.39616 671.80170
4685.0000 -205.70582 -199.22005 6.48577 2.42002 -198.80273 702.27166
4690.0000 -206.34336 -199.46491 6.87845 2.42146 -198.77529 704.91961
4695.0000 -207.36594 -199.91471 7.45123 2.37004 -199.75364 653.89985
4700.0000 -206.77382 -199.29017 7.48365 2.38426 -199.48307 688.77193
4705.0000 -206.15647 -197.85212 8.30435 2.44129 -198.39790 716.11322
4710.0000 -204.95206 -197.33181 7.62025 2.49344 -197.40575 743.45873
4715.0000 -204.83503 -196.10780 8.72723 2.50430 -197.19912 749.52843
4720.0000 -205.76729 -198.20760 7.55968 2.50857 -197.11787 763.37473
4725.0000 -205.51029 -197.84609 7.66420 2.48748 -197.51917 718.95445
4730.0000 -205.87596 -198.11037 7.76559 2.47383 -197.77884 721.94355
4735.0000 -205.66992 -198.48037 7.18955 2.44016 -198.41944 685.97369
4740.0000 -206.10033 -198.40824 7.69210 2.43054 -198.60258 678.15579
4745.0000 -205.66238 -198.86667 6.79571 2.42614 -198.68630 685.88945
4750.0000 -204.94664 -198.08461 6.86203 2.45589 -198.12018 693.46508
FREEZING PROCESS: loop number 20 T-loop= 679.00000000000000
main_MD> interactions number 20 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.44687 3.33625 2.72892
force_rgl> df(natom) 1.79939 0.16288 3.11724
4755.0000 -206.34545 -198.46152 7.88393 2.44276 -198.37008 689.57529
4760.0000 -207.41574 -200.88644 6.52930 2.38070 -199.55084 643.14613
4765.0000 -207.06340 -200.54126 6.52214 2.32192 -200.66932 625.50147
4770.0000 -206.66496 -199.20348 7.46148 2.35103 -200.11540 644.48895
4775.0000 -207.03754 -199.63215 7.40539 2.39670 -199.24636 676.56927
4780.0000 -206.54964 -200.23986 6.30977 2.31399 -200.82015 616.35667
4785.0000 -206.56445 -199.39724 7.16721 2.37275 -199.70217 650.01223
4790.0000 -207.16137 -200.79061 6.37076 2.35605 -200.01997 652.89733
4795.0000 -207.01101 -201.91772 5.09329 2.29243 -201.23034 604.31279
4800.0000 -207.91749 -201.65482 6.26267 2.30503 -200.99068 606.15730
4805.0000 -206.63722 -200.29986 6.33736 2.27107 -201.63690 591.18918
4810.0000 -207.71132 -200.02843 7.68289 2.34337 -200.26116 653.22864
4815.0000 -206.13051 -198.94155 7.18896 2.39244 -199.32751 679.94010
4820.0000 -206.88785 -200.79973 6.08812 2.39910 -199.20079 658.65082
4825.0000 -208.93944 -201.61219 7.32725 2.33190 -200.47947 625.84331
4830.0000 -207.71573 -201.63269 6.08303 2.28204 -201.42821 627.01516
4835.0000 -209.08421 -202.31388 6.77033 2.24154 -202.19874 615.12150
4840.0000 -208.26784 -201.49543 6.77240 2.23182 -202.38360 597.69727
4845.0000 -206.74071 -200.48386 6.25685 2.31528 -200.79567 622.98266
4850.0000 -207.82285 -200.57978 7.24307 2.32481 -200.61429 658.34062
4855.0000 -207.44598 -199.35268 8.09329 2.37655 -199.62988 649.36214
4860.0000 -206.70238 -200.88107 5.82131 2.33580 -200.40518 624.09290
4865.0000 -206.35269 -199.84994 6.50274 2.33497 -200.42094 606.82633
4870.0000 -207.77492 -201.12367 6.65126 2.29847 -201.11544 599.71477
4875.0000 -206.20745 -198.92235 7.28510 2.35341 -200.07010 651.44635
4880.0000 -207.78097 -200.36750 7.41347 2.39315 -199.31398 680.49941
4885.0000 -205.85500 -199.25405 6.60094 2.37032 -199.74844 681.01941
4890.0000 -207.74392 -200.74554 6.99839 2.35646 -200.01209 654.52512
4895.0000 -205.81816 -198.57876 7.23941 2.41311 -198.93409 720.98622
4900.0000 -204.84650 -196.97809 7.86841 2.50397 -197.20531 754.29052
4905.0000 -206.75135 -199.69556 7.05579 2.41622 -198.87498 697.08910
4910.0000 -205.95019 -199.34707 6.60312 2.42093 -198.78544 702.60206
4915.0000 -206.23695 -198.41986 7.81709 2.40164 -199.15239 689.60523
4920.0000 -206.54364 -199.61872 6.92492 2.43465 -198.52428 692.31702
4925.0000 -206.40352 -199.07166 7.33186 2.36850 -199.78298 640.65034
4930.0000 -205.38947 -197.57788 7.81159 2.40877 -199.01683 655.02259
4935.0000 -205.77106 -197.96154 7.80952 2.46064 -198.02980 716.23544
4940.0000 -205.94566 -197.56984 8.37583 2.47324 -197.79005 717.01608
4945.0000 -205.84241 -199.12275 6.71966 2.43963 -198.42952 692.49629
4950.0000 -207.01138 -199.75331 7.25807 2.39901 -199.20248 655.47274
4955.0000 -207.30328 -199.93379 7.36949 2.36397 -199.86920 651.42568
4960.0000 -207.32758 -199.62932 7.69826 2.35326 -200.07299 646.83393
4965.0000 -205.94129 -198.75108 7.19021 2.42730 -198.66423 685.84657
4970.0000 -205.34596 -197.38413 7.96183 2.46438 -197.95867 722.24925
4975.0000 -205.02981 -197.40255 7.62726 2.46899 -197.87082 734.58191
4980.0000 -206.59666 -198.74257 7.85409 2.45424 -198.15162 737.20837
4985.0000 -206.50029 -198.38942 8.11087 2.43348 -198.54661 720.37573
4990.0000 -208.16289 -200.82431 7.33858 2.41160 -198.96290 693.32398
4995.0000 -207.07204 -200.40610 6.66594 2.31573 -200.78710 613.76483
5000.0000 -206.73517 -197.71012 9.02505 2.40192 -199.14700 667.05723
FREEZING PROCESS: loop number 21 T-loop= 654.00000000000000
main_MD> interactions number 21 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04594 1.19723 3.84560
force_rgl> df(natom) 2.16948 -1.46410 -0.42273
5005.0000 -206.18992 -198.90749 7.28243 2.41672 -198.86544 700.77042
5010.0000 -205.91038 -198.76835 7.14203 2.43010 -198.61084 708.64724
5015.0000 -206.81140 -200.18370 6.62770 2.40166 -199.15196 677.85067
5020.0000 -206.55553 -199.60579 6.94974 2.37564 -199.64715 660.87645
5025.0000 -205.75127 -199.78129 5.96998 2.37466 -199.66572 655.24336
5030.0000 -206.60630 -199.45478 7.15152 2.34044 -200.31685 635.37845
5035.0000 -206.40570 -198.90447 7.50124 2.38828 -199.40671 696.35930
5040.0000 -206.11728 -199.40189 6.71539 2.41336 -198.92947 681.23258
5045.0000 -207.77289 -200.70826 7.06463 2.34418 -200.24576 644.53148
5050.0000 -208.02460 -201.21197 6.81263 2.31359 -200.82774 603.48420
5055.0000 -207.86588 -201.69568 6.17020 2.30564 -200.97905 617.91521
5060.0000 -207.45404 -200.14870 7.30534 2.30666 -200.95958 610.33369
5065.0000 -206.07804 -200.09788 5.98017 2.34922 -200.14988 644.48075
5070.0000 -207.95641 -202.19413 5.76228 2.29769 -201.13037 597.94870
5075.0000 -207.32831 -200.52630 6.80201 2.25763 -201.89250 567.89195
5080.0000 -206.74747 -200.45160 6.29587 2.36511 -199.84755 655.89967
5085.0000 -207.18017 -200.03112 7.14906 2.37083 -199.73871 655.24711
5090.0000 -207.72227 -202.44060 5.28167 2.26304 -201.78967 618.77049
5095.0000 -208.72420 -202.50630 6.21790 2.25962 -201.85470 602.24199
5100.0000 -207.10831 -200.65293 6.45538 2.26856 -201.68463 605.36724
5105.0000 -207.65190 -200.68335 6.96855 2.31423 -200.81557 613.14547
5110.0000 -205.54437 -198.47818 7.06619 2.37917 -199.57998 659.66594
5115.0000 -207.48522 -200.33670 7.14851 2.37102 -199.73496 674.72983
5120.0000 -207.00714 -199.62751 7.37963 2.34746 -200.18329 609.54112
5125.0000 -206.57057 -199.91172 6.65884 2.35992 -199.94620 608.97001
5130.0000 -205.41000 -197.48272 7.92728 2.44565 -198.31499 709.32484
5135.0000 -206.19279 -198.28878 7.90400 2.47885 -197.68331 733.64604
5140.0000 -205.32176 -197.88556 7.43620 2.41691 -198.86177 671.92716
5145.0000 -205.57138 -197.34077 8.23061 2.47171 -197.81912 720.87435
5150.0000 -205.09467 -197.34124 7.75342 2.48053 -197.65131 735.13360
5155.0000 -205.27852 -198.27918 6.99934 2.44629 -198.30276 697.77138
5160.0000 -206.15173 -199.40771 6.74402 2.41522 -198.89396 683.09154
5165.0000 -207.17520 -199.79884 7.37636 2.39334 -199.31039 656.80333
5170.0000 -207.02608 -199.78092 7.24515 2.37092 -199.73688 664.39039
5175.0000 -207.41179 -200.57787 6.83392 2.34534 -200.22372 643.45691
5180.0000 -205.03649 -198.70362 6.33288 2.36831 -199.78665 671.88133
5185.0000 -207.89360 -200.22527 7.66833 2.39286 -199.31944 670.74755
5190.0000 -208.77489 -200.94432 7.83058 2.33103 -200.49599 639.40477
5195.0000 -205.78729 -199.22333 6.56396 2.34648 -200.20204 634.37925
5200.0000 -205.93417 -199.74707 6.18710 2.36197 -199.90721 628.47307
5205.0000 -205.94980 -199.10693 6.84288 2.39180 -199.33960 666.02000
5210.0000 -206.98602 -198.47187 8.51416 2.46615 -197.92491 705.98698
5215.0000 -207.29516 -199.98528 7.30988 2.40308 -199.12508 684.07685
5220.0000 -207.67295 -201.01944 6.65351 2.31007 -200.89472 636.54448
5225.0000 -207.10531 -200.82104 6.28427 2.30843 -200.92607 620.75538
5230.0000 -207.17697 -200.22395 6.95302 2.31663 -200.76988 635.61544
5235.0000 -206.80692 -199.44976 7.35716 2.37466 -199.66579 658.96880
5240.0000 -207.07070 -200.05821 7.01249 2.36876 -199.77800 652.33354
5245.0000 -206.28354 -199.34670 6.93684 2.36151 -199.91599 651.60088
5250.0000 -207.53657 -201.05357 6.48299 2.34613 -200.20872 640.03393
FREEZING PROCESS: loop number 22 T-loop= 629.00000000000000
main_MD> interactions number 22 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.02989 1.73580 -1.31964
force_rgl> df(natom) -0.32778 -2.54718 1.17566
5255.0000 -207.69147 -200.47042 7.22105 2.32095 -200.68781 616.86721
5260.0000 -206.19764 -201.00407 5.19357 2.30634 -200.96574 610.30052
5265.0000 -208.90754 -202.38819 6.51935 2.25197 -202.00037 568.39735
5270.0000 -208.20731 -201.73655 6.47076 2.25909 -201.86487 598.45389
5275.0000 -209.35153 -201.90079 7.45074 2.29394 -201.20177 617.22989
5280.0000 -207.49459 -201.14301 6.35158 2.29074 -201.26255 651.51403
5285.0000 -207.31589 -201.61902 5.69687 2.30664 -200.96009 621.81425
5290.0000 -208.46005 -201.91695 6.54310 2.20939 -202.81053 570.57004
5295.0000 -208.73256 -202.56039 6.17217 2.21758 -202.65465 606.18445
5300.0000 -208.00019 -202.15080 5.84939 2.23808 -202.26450 583.69342
5305.0000 -206.58676 -199.82373 6.76303 2.29877 -201.10975 611.71496
5310.0000 -207.38060 -200.61416 6.76644 2.33079 -200.50044 639.29745
5315.0000 -207.65937 -200.81282 6.84656 2.30999 -200.89631 611.87275
5320.0000 -207.38072 -200.65399 6.72673 2.28230 -201.42311 597.80505
5325.0000 -208.53967 -200.66350 7.87617 2.32268 -200.65483 632.91388
5330.0000 -208.90327 -201.50062 7.40265 2.26747 -201.70538 593.12307
5335.0000 -207.47087 -201.38959 6.08128 2.32338 -200.64142 636.35638
5340.0000 -207.52067 -200.94517 6.57551 2.28591 -201.35440 599.13117
5345.0000 -208.21249 -201.68247 6.53002 2.30896 -200.91587 590.38199
5350.0000 -206.04490 -199.46852 6.57638 2.32833 -200.54724 623.03294
5355.0000 -206.66772 -198.93443 7.73329 2.38186 -199.52874 646.20912
5360.0000 -206.69168 -200.08012 6.61156 2.38877 -199.39727 647.07393
5365.0000 -205.41753 -198.60043 6.81710 2.39028 -199.36865 660.61409
5370.0000 -206.65897 -199.79839 6.86058 2.41068 -198.98048 670.63641
5375.0000 -207.65873 -200.33545 7.32327 2.33960 -200.33281 618.17068
5380.0000 -205.99760 -198.52761 7.46999 2.36547 -199.84069 662.82068
5385.0000 -206.80237 -199.51296 7.28941 2.39884 -199.20560 670.34781
5390.0000 -207.48198 -200.64559 6.83638 2.37160 -199.72408 650.78844
5395.0000 -207.25589 -199.40343 7.85246 2.37297 -199.69791 651.40122
5400.0000 -205.78543 -198.39809 7.38734 2.42130 -198.77840 665.38612
5405.0000 -205.87014 -198.99267 6.87747 2.40304 -199.12572 660.56117
5410.0000 -208.58669 -201.97063 6.61606 2.33298 -200.45882 629.40909
5415.0000 -207.71441 -201.90133 5.81308 2.26755 -201.70374 589.29844
5420.0000 -206.34249 -199.13712 7.20537 2.36971 -199.76003 656.37113
5425.0000 -207.47511 -200.52561 6.94950 2.36256 -199.89600 639.27294
5430.0000 -206.48846 -200.48662 6.00184 2.30051 -201.07662 610.40173
5435.0000 -205.68565 -198.83043 6.85522 2.37836 -199.59538 668.86571
5440.0000 -207.54486 -200.50377 7.04109 2.39358 -199.30569 668.85574
5445.0000 -206.20794 -199.76345 6.44449 2.35086 -200.11856 639.24024
5450.0000 -207.70440 -201.27729 6.42710 2.33002 -200.51523 635.91825
5455.0000 -207.42225 -201.14435 6.27790 2.29263 -201.22657 608.31343
5460.0000 -208.07957 -201.29901 6.78056 2.31159 -200.86579 627.79081
5465.0000 -207.42516 -200.87320 6.55195 2.29564 -201.16938 631.09667
5470.0000 -207.70013 -200.37173 7.32840 2.32379 -200.63375 638.54813
5475.0000 -208.85287 -203.68098 5.17189 2.26442 -201.76337 595.51414
5480.0000 -208.09081 -202.90007 5.19074 2.22347 -202.54251 568.95625
5485.0000 -209.52299 -202.29080 7.23219 2.21852 -202.63671 588.61011
5490.0000 -208.37902 -201.47324 6.90579 2.25759 -201.89344 635.47803
5495.0000 -207.27079 -201.42723 5.84357 2.27131 -201.63231 615.20637
5500.0000 -206.91160 -200.60692 6.30468 2.32798 -200.55408 618.59833
FREEZING PROCESS: loop number 23 T-loop= 604.00000000000000
main_MD> interactions number 23 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63077 -1.00915 -1.17107
force_rgl> df(natom) 0.54320 2.80455 -1.39700
5505.0000 -207.59127 -200.44922 7.14205 2.34431 -200.24334 654.58512
5510.0000 -207.61213 -201.07635 6.53578 2.30180 -201.05218 606.72292
5515.0000 -208.51849 -200.62381 7.89467 2.32521 -200.60671 628.75257
5520.0000 -207.70017 -199.72220 7.97798 2.36646 -199.82174 655.86871
5525.0000 -205.90200 -199.10568 6.79632 2.39560 -199.26725 664.10100
5530.0000 -207.38007 -199.95193 7.42814 2.38906 -199.39173 660.29278
5535.0000 -208.55096 -202.69396 5.85700 2.27347 -201.59114 604.88749
5540.0000 -208.55660 -202.96244 5.59416 2.22564 -202.50123 584.80389
5545.0000 -208.44972 -200.89729 7.55243 2.25507 -201.94125 586.77560
5550.0000 -208.37982 -203.05084 5.32899 2.24356 -202.16023 594.40274
5555.0000 -208.91527 -202.53281 6.38246 2.25573 -201.92874 618.94388
5560.0000 -208.06782 -202.13186 5.93596 2.24897 -202.05729 600.59385
5565.0000 -207.79082 -202.09131 5.69951 2.27964 -201.47376 590.24103
5570.0000 -208.51523 -201.91631 6.59892 2.25918 -201.86316 589.57836
5575.0000 -208.78253 -201.85999 6.92253 2.25561 -201.93106 592.73972
5580.0000 -207.02087 -201.62556 5.39530 2.28973 -201.28176 606.54815
5585.0000 -208.45098 -201.51833 6.93265 2.28398 -201.39129 596.41721
5590.0000 -208.00375 -201.81616 6.18759 2.26880 -201.67996 600.14795
5595.0000 -207.24787 -200.95631 6.29156 2.31497 -200.80151 622.04206
5600.0000 -207.67974 -200.26628 7.41347 2.34713 -200.18951 610.46895
5605.0000 -207.45851 -200.12546 7.33305 2.38247 -199.51715 640.68905
5610.0000 -205.39776 -198.00797 7.38979 2.41749 -198.85085 657.59454
5615.0000 -206.26528 -198.76153 7.50375 2.41597 -198.87969 656.35819
5620.0000 -206.64498 -199.37596 7.26901 2.38370 -199.49384 655.86468
5625.0000 -207.36436 -201.05613 6.30823 2.31559 -200.78971 602.36876
5630.0000 -207.27614 -201.04346 6.23268 2.30981 -200.89963 599.18182
5635.0000 -206.95988 -200.09431 6.86557 2.33120 -200.49271 614.41196
5640.0000 -206.50386 -198.02387 8.47999 2.37719 -199.61767 668.53419
5645.0000 -206.67408 -199.72747 6.94660 2.42395 -198.72789 707.72669
5650.0000 -207.65611 -200.36061 7.29550 2.38158 -199.53418 651.57817
5655.0000 -208.20404 -201.89826 6.30577 2.30096 -201.06820 583.78380
5660.0000 -207.21110 -200.34324 6.86786 2.33222 -200.47328 632.42763
5665.0000 -207.56377 -200.68304 6.88073 2.35476 -200.04439 623.40751
5670.0000 -207.59937 -200.79576 6.80361 2.32272 -200.65400 625.37767
5675.0000 -207.18958 -200.34927 6.84031 2.32302 -200.64837 614.12520
5680.0000 -206.47679 -200.72912 5.74766 2.36210 -199.90467 662.00715
5685.0000 -208.46587 -201.51459 6.95128 2.33522 -200.41621 632.34131
5690.0000 -208.33705 -202.05009 6.28695 2.27916 -201.48287 597.74628
5695.0000 -208.87325 -202.77012 6.10314 2.26625 -201.72855 583.11873
5700.0000 -208.51610 -201.86168 6.65443 2.22924 -202.43275 554.91301
5705.0000 -207.64945 -201.51607 6.13337 2.27134 -201.63174 580.22992
5710.0000 -207.18573 -200.26512 6.92061 2.28742 -201.32566 598.58235
5715.0000 -207.77769 -201.81811 5.95957 2.28258 -201.41788 588.61717
5720.0000 -209.26840 -201.91915 7.34925 2.28133 -201.44169 594.07951
5725.0000 -207.51953 -201.06710 6.45243 2.23030 -202.41261 579.16318
5730.0000 -207.79331 -201.15570 6.63761 2.27393 -201.58242 578.95642
5735.0000 -206.87182 -200.91619 5.95562 2.28437 -201.38381 601.38484
5740.0000 -208.00826 -201.78574 6.22252 2.27336 -201.59319 576.38148
5745.0000 -206.94787 -200.21170 6.73617 2.30521 -200.98719 610.88415
5750.0000 -206.02729 -199.68368 6.34361 2.33678 -200.38654 619.52838
FREEZING PROCESS: loop number 24 T-loop= 579.00000000000000
main_MD> interactions number 24 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26511 -4.08815 1.46271
force_rgl> df(natom) 0.53094 3.21047 -3.87614
5755.0000 -207.93426 -202.18659 5.74767 2.32001 -200.70571 611.39873
5760.0000 -208.82227 -202.28934 6.53293 2.20558 -202.88292 573.09836
5765.0000 -209.43032 -203.08955 6.34076 2.22984 -202.42131 601.01170
5770.0000 -208.54933 -203.07242 5.47691 2.18223 -203.32722 563.87983
5775.0000 -208.56952 -202.02498 6.54454 2.20955 -202.80747 537.10603
5780.0000 -208.68827 -203.41581 5.27246 2.24306 -202.16984 573.87201
5785.0000 -207.20125 -202.01129 5.18995 2.23715 -202.28228 547.34893
5790.0000 -208.42389 -200.95561 7.46828 2.29500 -201.18146 598.90687
5795.0000 -207.56929 -201.06817 6.50112 2.32088 -200.68907 633.56237
5800.0000 -208.38707 -201.02240 7.36467 2.29077 -201.26199 598.46737
5805.0000 -206.41844 -200.31794 6.10050 2.36927 -199.76833 625.53701
5810.0000 -207.23193 -200.49558 6.73635 2.35305 -200.07694 611.43005
5815.0000 -208.01293 -200.89922 7.11372 2.30665 -200.95992 608.00112
5820.0000 -208.66847 -201.56674 7.10172 2.28999 -201.27687 605.45657
5825.0000 -208.88198 -201.65281 7.22917 2.26109 -201.82678 605.80929
5830.0000 -208.56227 -202.80163 5.76064 2.25834 -201.87911 607.00113
5835.0000 -209.80851 -203.68145 6.12707 2.17337 -203.49578 552.64353
5840.0000 -208.47263 -203.05447 5.41816 2.17674 -203.43175 540.49391
5845.0000 -208.63841 -202.54526 6.09315 2.21279 -202.74579 537.02955
5850.0000 -208.56273 -202.70479 5.85793 2.21728 -202.66026 573.38024
5855.0000 -209.74596 -203.49850 6.24746 2.19781 -203.03082 587.20010
5860.0000 -209.47029 -203.01508 6.45521 2.18931 -203.19251 572.78051
5865.0000 -208.04576 -202.32599 5.71977 2.21641 -202.67692 570.55581
5870.0000 -207.07953 -200.17365 6.90588 2.28330 -201.40410 592.60225
5875.0000 -206.97638 -201.16572 5.81066 2.29614 -201.15975 592.80159
5880.0000 -207.77319 -202.02441 5.74878 2.28104 -201.44714 581.97260
5885.0000 -208.14701 -202.20812 5.93890 2.26434 -201.76496 583.99383
5890.0000 -208.15825 -202.08542 6.07283 2.27637 -201.53599 580.23827
5895.0000 -207.60482 -202.23640 5.36842 2.23858 -202.25501 560.98887
5900.0000 -209.01944 -202.50038 6.51906 2.26484 -201.75546 593.41337
5905.0000 -210.08138 -203.50947 6.57191 2.17155 -203.53053 506.64038
5910.0000 -208.75605 -203.58927 5.16678 2.17603 -203.44526 527.70286
5915.0000 -209.53596 -203.11722 6.41874 2.17130 -203.53525 528.71391
5920.0000 -208.28036 -202.78612 5.49424 2.20153 -202.95998 573.08812
5925.0000 -209.81340 -204.11680 5.69660 2.16934 -203.57246 551.08804
5930.0000 -208.63467 -201.89377 6.74090 2.16211 -203.71002 538.44236
5935.0000 -208.30847 -202.00244 6.30603 2.25768 -201.89158 574.74017
5940.0000 -209.18408 -204.03348 5.15060 2.20880 -202.82164 545.90547
5945.0000 -209.62423 -203.65949 5.96474 2.16671 -203.62250 534.28145
5950.0000 -209.19721 -202.27941 6.91780 2.20854 -202.82659 588.60898
5955.0000 -209.63118 -203.75392 5.87726 2.21139 -202.77252 592.63954
5960.0000 -209.26884 -203.18224 6.08660 2.18256 -203.32101 564.83472
5965.0000 -209.82958 -204.35259 5.47699 2.17400 -203.48379 545.50680
5970.0000 -209.44140 -203.28073 6.16067 2.17387 -203.48635 542.17147
5975.0000 -210.26707 -203.13634 7.13074 2.20085 -202.97298 573.21013
5980.0000 -208.80832 -201.77748 7.03085 2.19031 -203.17348 556.96911
5985.0000 -208.90406 -201.42917 7.47489 2.23289 -202.36335 596.40168
5990.0000 -208.99284 -202.21363 6.77922 2.24379 -202.15587 588.33688
5995.0000 -208.77404 -202.08927 6.68477 2.23276 -202.36587 580.92394
6000.0000 -210.38494 -204.06097 6.32397 2.18527 -203.26943 580.12016
FREEZING PROCESS: loop number 25 T-loop= 554.00000000000000
main_MD> interactions number 25 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.88317 -2.21213 0.68024
force_rgl> df(natom) -0.13278 -0.78800 1.38821
6005.0000 -210.86292 -205.48751 5.37541 2.14125 -204.10696 542.67702
6010.0000 -210.44825 -204.39865 6.04960 2.11114 -204.67990 527.24896
6015.0000 -211.44898 -205.90440 5.54458 2.08369 -205.20217 510.83201
6020.0000 -212.02965 -207.13486 4.89479 2.05013 -205.84084 490.78723
6025.0000 -210.83010 -205.76466 5.06543 2.02790 -206.26377 471.30555
6030.0000 -209.34151 -203.79386 5.54765 2.11074 -204.68764 543.60135
6035.0000 -209.03614 -203.43366 5.60247 2.17786 -203.41037 542.03853
6040.0000 -209.77848 -203.73879 6.03969 2.18131 -203.34478 555.72612
6045.0000 -208.84155 -203.55313 5.28842 2.18789 -203.21959 540.82474
6050.0000 -208.43445 -202.73223 5.70222 2.21273 -202.74683 564.73222
6055.0000 -208.59798 -202.48976 6.10822 2.21252 -202.75093 584.22496
6060.0000 -207.87513 -201.77916 6.09596 2.25089 -202.02083 624.06781
6065.0000 -206.80624 -201.14891 5.65733 2.28923 -201.29130 623.16304
6070.0000 -208.32094 -201.44064 6.88030 2.28513 -201.36942 596.50378
6075.0000 -207.04816 -200.62330 6.42486 2.30561 -200.97971 623.93008
6080.0000 -208.50407 -201.97595 6.52812 2.26490 -201.75432 603.73655
6085.0000 -207.19283 -201.85675 5.33609 2.26938 -201.66898 586.83141
6090.0000 -209.51266 -204.08371 5.42895 2.22109 -202.58781 561.60136
6095.0000 -209.51656 -203.43735 6.07922 2.16714 -203.61435 514.08454
6100.0000 -210.29541 -203.69621 6.59920 2.16954 -203.56875 543.43089
6105.0000 -210.31859 -204.85099 5.46760 2.15053 -203.93053 550.25325
6110.0000 -210.49254 -204.71041 5.78213 2.11252 -204.65377 527.05309
6115.0000 -210.06960 -204.65339 5.41621 2.08772 -205.12551 525.15562
6120.0000 -209.62340 -203.58090 6.04249 2.14558 -204.02468 568.06342
6125.0000 -209.47900 -202.74693 6.73207 2.18016 -203.36663 589.89577
6130.0000 -208.88887 -202.14912 6.73975 2.21068 -202.78593 592.91421
6135.0000 -209.16994 -203.01856 6.15138 2.20053 -202.97902 545.26768
6140.0000 -207.91693 -202.69561 5.22132 2.18871 -203.20388 528.14347
6145.0000 -208.20531 -202.05580 6.14951 2.22287 -202.55407 547.40815
6150.0000 -209.39955 -203.70508 5.69446 2.18570 -203.26133 536.38385
6155.0000 -208.81019 -202.70648 6.10371 2.20042 -202.98111 563.14782
6160.0000 -209.51318 -203.63611 5.87707 2.21026 -202.79400 561.83753
6165.0000 -209.56459 -203.40937 6.15522 2.20970 -202.80463 560.64229
6170.0000 -209.01073 -203.15261 5.85812 2.17945 -203.38017 540.73355
6175.0000 -208.26144 -201.69191 6.56953 2.21709 -202.66404 576.18773
6180.0000 -209.82426 -202.70923 7.11504 2.26067 -201.83471 605.64240
6185.0000 -210.05734 -203.98068 6.07666 2.20979 -202.80278 586.35916
6190.0000 -209.77407 -203.79667 5.97740 2.14865 -203.96622 545.74260
6195.0000 -208.98197 -203.04766 5.93431 2.15993 -203.75163 545.31873
6200.0000 -208.20811 -201.84496 6.36315 2.21992 -202.61008 556.78961
6205.0000 -209.00081 -202.46107 6.53975 2.25614 -201.92095 574.66425
6210.0000 -208.76326 -203.19414 5.56912 2.22853 -202.44625 569.06297
6215.0000 -210.06055 -204.06555 5.99501 2.14142 -204.10374 513.63332
6220.0000 -209.36808 -203.95472 5.41335 2.13154 -204.29171 513.07633
6225.0000 -209.56494 -204.12391 5.44102 2.13854 -204.15859 523.71365
6230.0000 -209.89672 -204.40234 5.49438 2.14583 -204.01988 527.70106
6235.0000 -209.61452 -203.85097 5.76356 2.15054 -203.93029 521.05507
6240.0000 -208.65145 -202.72802 5.92344 2.21677 -202.67004 564.66893
6245.0000 -208.98240 -203.17759 5.80481 2.21109 -202.77812 548.92469
6250.0000 -208.38125 -202.77996 5.60129 2.20619 -202.87138 566.89697
FREEZING PROCESS: loop number 26 T-loop= 529.00000000000000
main_MD> interactions number 26 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85961 -2.59793 -0.23890
force_rgl> df(natom) 1.99838 1.39316 -1.28290
6255.0000 -209.63542 -204.68612 4.94929 2.14191 -204.09446 533.93814
6260.0000 -209.10151 -203.81142 5.29009 2.14682 -204.00094 538.50849
6265.0000 -210.48369 -204.83180 5.65189 2.14843 -203.97049 546.73171
6270.0000 -209.13779 -203.99770 5.14009 2.10085 -204.87570 496.90689
6275.0000 -209.56585 -203.71900 5.84685 2.14926 -203.95452 516.14344
6280.0000 -209.68961 -204.19990 5.48971 2.17013 -203.55742 529.48093
6285.0000 -208.60195 -203.46831 5.13363 2.15147 -203.91263 520.20883
6290.0000 -208.99875 -203.01940 5.97935 2.18739 -203.22912 548.98092
6295.0000 -210.65803 -204.99248 5.66556 2.12022 -204.50717 521.51679
6300.0000 -210.15927 -205.06105 5.09822 2.08611 -205.15614 479.84989
6305.0000 -209.17595 -203.80348 5.37247 2.12648 -204.38806 502.69404
6310.0000 -209.80269 -204.33402 5.46867 2.13623 -204.20262 523.49385
6315.0000 -210.31459 -204.75755 5.55705 2.11570 -204.59326 521.59668
6320.0000 -210.41870 -204.41496 6.00373 2.10947 -204.71177 516.88542
6325.0000 -210.15071 -203.99566 6.15504 2.12403 -204.43475 519.20170
6330.0000 -210.15809 -204.90343 5.25466 2.10377 -204.82023 493.06118
6335.0000 -209.85711 -203.83873 6.01837 2.11706 -204.56736 507.96309
6340.0000 -210.67358 -205.29353 5.38005 2.13367 -204.25127 522.99233
6345.0000 -210.50150 -204.34130 6.16020 2.10851 -204.72991 521.09145
6350.0000 -210.51495 -205.19318 5.32176 2.10011 -204.88990 513.18801
6355.0000 -211.26193 -204.47489 6.78704 2.10379 -204.81978 536.15170
6360.0000 -210.77403 -204.08979 6.68424 2.11428 -204.62023 535.54573
6365.0000 -209.54788 -204.42798 5.11990 2.12071 -204.49787 531.30066
6370.0000 -210.43000 -205.08848 5.34152 2.11779 -204.55333 521.91328
6375.0000 -210.60454 -204.43176 6.17278 2.11051 -204.69200 517.33004
6380.0000 -209.48470 -204.43244 5.05226 2.10790 -204.74156 507.93108
6385.0000 -210.18722 -204.96189 5.22533 2.13411 -204.24290 531.57887
6390.0000 -209.87761 -204.79587 5.08174 2.10732 -204.75259 499.87951
6395.0000 -209.63608 -204.51900 5.11707 2.12349 -204.44498 495.27998
6400.0000 -209.98706 -203.71459 6.27247 2.15320 -203.87967 502.19154
6405.0000 -209.97016 -205.33398 4.63618 2.14564 -204.02349 513.52873
6410.0000 -210.23101 -205.18764 5.04338 2.08104 -205.25266 470.19488
6415.0000 -209.76485 -204.14193 5.62292 2.08807 -205.11893 488.72480
6420.0000 -208.60759 -203.22953 5.37806 2.16858 -203.58701 560.92098
6425.0000 -209.94618 -203.95841 5.98777 2.16150 -203.72168 546.43718
6430.0000 -209.62130 -203.97461 5.64669 2.13480 -204.22974 523.41096
6435.0000 -209.82651 -204.18710 5.63942 2.16434 -203.66772 541.27067
6440.0000 -208.48854 -202.66641 5.82213 2.18938 -203.19122 557.33401
6445.0000 -208.75033 -202.90802 5.84231 2.21172 -202.76622 550.05871
6450.0000 -209.09710 -202.92541 6.17169 2.20571 -202.88053 567.98231
6455.0000 -209.30098 -203.06386 6.23712 2.16513 -203.65264 545.78565
6460.0000 -209.19790 -203.33765 5.86024 2.19545 -203.07581 565.81588
6465.0000 -208.48781 -202.83650 5.65131 2.18776 -203.22197 546.29556
6470.0000 -210.51103 -205.34929 5.16174 2.13808 -204.16728 502.69906
6475.0000 -210.19871 -204.78956 5.40915 2.09774 -204.93482 470.33016
6480.0000 -209.29948 -204.39282 4.90666 2.11698 -204.56890 508.64671
6485.0000 -208.70774 -203.02003 5.68770 2.17847 -203.39874 540.21400
6490.0000 -209.08583 -203.85065 5.23517 2.18077 -203.35500 537.01873
6495.0000 -210.05366 -204.90655 5.14711 2.14173 -204.09788 515.27773
6500.0000 -210.21679 -204.25662 5.96017 2.10472 -204.80211 490.36148
FREEZING PROCESS: loop number 27 T-loop= 504.00000000000000
main_MD> interactions number 27 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26201 0.09942 -1.85630
force_rgl> df(natom) 0.27304 -2.42289 -1.68070
6505.0000 -209.91613 -204.53990 5.37624 2.13100 -204.30211 523.94017
6510.0000 -209.49575 -203.89042 5.60533 2.13566 -204.21338 517.09450
6515.0000 -210.19474 -204.65891 5.53584 2.09620 -204.96423 503.33137
6520.0000 -210.31714 -204.50602 5.81112 2.11646 -204.57879 525.17027
6525.0000 -209.45779 -204.14945 5.30835 2.13256 -204.27234 544.47757
6530.0000 -210.15792 -204.43183 5.72609 2.09293 -205.02642 512.19397
6535.0000 -210.44833 -204.33158 6.11675 2.12414 -204.43263 542.15824
6540.0000 -209.66608 -203.66368 6.00240 2.16574 -203.64098 555.19561
6545.0000 -210.09270 -204.81488 5.27782 2.10777 -204.74409 519.99895
6550.0000 -210.38679 -205.21361 5.17318 2.10778 -204.74387 501.67648
6555.0000 -209.54681 -205.01009 4.53672 2.08992 -205.08377 494.87841
6560.0000 -211.32319 -205.89283 5.43036 2.06867 -205.48803 493.85731
6565.0000 -210.48188 -205.93165 4.55023 2.05639 -205.72163 473.85922
6570.0000 -210.63201 -204.46316 6.16885 2.09033 -205.07594 505.53745
6575.0000 -209.39458 -204.06867 5.32591 2.13375 -204.24970 538.02169
6580.0000 -210.71614 -205.69147 5.02467 2.11322 -204.64033 528.51027
6585.0000 -210.30279 -204.95497 5.34782 2.06485 -205.56076 485.51757
6590.0000 -211.14658 -205.43296 5.71362 2.04971 -205.84885 473.54570
6595.0000 -210.59130 -205.34224 5.24906 2.07362 -205.39382 485.03900
6600.0000 -209.39944 -203.57164 5.82780 2.15447 -203.85546 545.72587
6605.0000 -209.79160 -204.26664 5.52496 2.15126 -203.91651 516.37175
6610.0000 -210.66942 -205.72030 4.94912 2.10714 -204.75602 497.07595
6615.0000 -209.48854 -203.99794 5.49060 2.11002 -204.70128 500.83361
6620.0000 -209.60428 -204.52167 5.08260 2.14697 -203.99824 528.49013
6625.0000 -209.31311 -203.52656 5.78655 2.15219 -203.89883 533.89046
6630.0000 -208.51111 -202.78125 5.72986 2.18973 -203.18448 544.78055
6635.0000 -208.03226 -202.12510 5.90716 2.25361 -201.96902 594.80127
6640.0000 -209.20835 -204.18491 5.02343 2.21081 -202.78341 540.80723
6645.0000 -209.46147 -204.82240 4.63907 2.13056 -204.31038 479.41935
6650.0000 -209.61204 -205.17865 4.43339 2.08975 -205.08686 450.60195
6655.0000 -210.05545 -204.28476 5.77069 2.13760 -204.17643 497.28968
6660.0000 -210.22753 -204.65415 5.57338 2.10629 -204.77226 485.30782
6665.0000 -210.42811 -204.87491 5.55319 2.11735 -204.56176 520.24834
6670.0000 -210.68270 -204.91907 5.76363 2.11349 -204.63522 510.52205
6675.0000 -210.08098 -205.41190 4.66908 2.09870 -204.91673 508.34384
6680.0000 -210.83031 -206.24453 4.58578 2.06109 -205.63235 483.46202
6685.0000 -210.17876 -204.75959 5.41917 2.07898 -205.29196 499.66698
6690.0000 -209.83890 -203.59448 6.24442 2.16588 -203.63841 534.24212
6695.0000 -209.22740 -204.29464 4.93276 2.13079 -204.30598 498.91058
6700.0000 -208.07401 -202.75486 5.31915 2.12714 -204.37553 490.43586
6705.0000 -208.66426 -203.81514 4.84912 2.20242 -202.94307 550.07118
6710.0000 -210.56567 -204.89507 5.67059 2.13808 -204.16733 507.19937
6715.0000 -209.56965 -204.21515 5.35450 2.12751 -204.36845 515.87117
6720.0000 -209.62123 -204.37669 5.24454 2.11684 -204.57146 497.26968
6725.0000 -209.10591 -203.38364 5.72228 2.15077 -203.92586 505.91652
6730.0000 -209.54808 -205.35472 4.19337 2.10862 -204.72780 510.16555
6735.0000 -210.74071 -205.54991 5.19080 2.07975 -205.27726 505.38179
6740.0000 -210.96681 -205.58265 5.38416 2.07363 -205.39374 506.18980
6745.0000 -210.93545 -205.47353 5.46192 2.07788 -205.31283 515.15790
6750.0000 -210.82807 -204.85764 5.97044 2.08704 -205.13842 491.11447
FREEZING PROCESS: loop number 28 T-loop= 479.00000000000000
main_MD> interactions number 28 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61475 -0.97893 -0.46267
force_rgl> df(natom) 3.09774 1.07783 -0.66753
6755.0000 -211.34648 -206.20463 5.14185 2.05851 -205.68128 471.62394
6760.0000 -210.78983 -205.81748 4.97235 2.04275 -205.98133 463.34847
6765.0000 -210.38460 -205.79391 4.59069 2.05662 -205.71731 481.79412
6770.0000 -209.56921 -203.97801 5.59120 2.11291 -204.64631 516.60151
6775.0000 -210.51306 -205.98369 4.52937 2.10117 -204.86965 510.27719
6780.0000 -211.05216 -206.07706 4.97510 2.01788 -206.45449 452.63011
6785.0000 -211.56695 -206.20256 5.36439 2.03240 -206.17812 462.21349
6790.0000 -210.10232 -205.76903 4.33330 2.05267 -205.79251 468.48748
6795.0000 -210.54017 -205.36900 5.17116 2.05156 -205.81363 459.83311
6800.0000 -210.46613 -205.60891 4.85721 2.06194 -205.61611 470.09019
6805.0000 -210.81498 -205.26401 5.55097 2.09481 -204.99069 513.45663
6810.0000 -210.43903 -205.14886 5.29017 2.05443 -205.75903 480.25447
6815.0000 -210.47206 -205.38398 5.08809 2.06209 -205.61328 501.18524
6820.0000 -210.88950 -205.31069 5.57881 2.07731 -205.32359 505.45260
6825.0000 -211.69081 -206.40644 5.28436 2.04625 -205.91462 482.56565
6830.0000 -211.48231 -206.68595 4.79636 2.02831 -206.25604 470.43163
6835.0000 -211.55413 -206.66811 4.88602 2.00898 -206.62382 456.86533
6840.0000 -211.35558 -205.90877 5.44681 2.04264 -205.98329 473.00827
6845.0000 -211.18987 -205.85157 5.33829 2.05568 -205.73527 497.60886
6850.0000 -210.92325 -206.01677 4.90648 2.04153 -206.00438 484.33697
6855.0000 -212.34204 -206.94100 5.40104 2.01525 -206.50458 459.30955
6860.0000 -211.58424 -206.79486 4.78938 2.02092 -206.39657 473.98433
6865.0000 -210.83820 -205.43660 5.40160 2.03845 -206.06302 486.16400
6870.0000 -211.55246 -206.93218 4.62028 2.02913 -206.24044 472.49089
6875.0000 -211.53302 -207.37684 4.15619 1.99460 -206.89749 440.24048
6880.0000 -211.63635 -207.18398 4.45237 2.00144 -206.76734 449.52466
6885.0000 -210.54508 -205.55617 4.98891 2.02517 -206.31585 478.23111
6890.0000 -212.28610 -206.67765 5.60845 1.99594 -206.87185 463.30997
6895.0000 -211.41919 -206.48490 4.93428 2.01890 -206.43513 472.72497
6900.0000 -211.06697 -207.07628 3.99069 1.99121 -206.96201 453.82323
6905.0000 -211.90105 -207.28882 4.61223 2.02691 -206.28269 479.41671
6910.0000 -212.02665 -207.03936 4.98729 1.97841 -207.20556 443.45969
6915.0000 -211.04447 -205.72018 5.32429 2.02202 -206.37577 481.59049
6920.0000 -211.61257 -207.40118 4.21139 2.00297 -206.73812 458.49167
6925.0000 -211.91455 -206.06841 5.84613 2.00285 -206.74049 466.05512
6930.0000 -211.75786 -206.69545 5.06241 2.01996 -206.41487 471.48536
6935.0000 -211.08281 -205.73107 5.35174 2.00910 -206.62147 467.05834
6940.0000 -211.02592 -205.76126 5.26466 2.06256 -205.60426 501.83295
6945.0000 -211.03930 -206.36334 4.67596 2.05395 -205.76808 496.99074
6950.0000 -212.67812 -207.64950 5.02862 1.98831 -207.01717 465.11289
6955.0000 -211.64849 -207.42856 4.21993 1.97115 -207.34361 446.38133
6960.0000 -211.17705 -206.05790 5.11915 1.99684 -206.85474 466.04587
6965.0000 -211.16149 -206.57770 4.58379 2.00757 -206.65069 459.16185
6970.0000 -211.05513 -206.15789 4.89723 2.04573 -205.92449 494.42505
6975.0000 -211.16651 -206.72843 4.43809 2.01121 -206.58135 457.94810
6980.0000 -211.41720 -205.97244 5.44476 2.01659 -206.47892 458.15676
6985.0000 -211.46760 -206.50808 4.95952 2.00423 -206.71428 449.34995
6990.0000 -212.19249 -206.83572 5.35677 2.01205 -206.56541 479.20017
6995.0000 -211.32193 -205.91899 5.40294 2.01408 -206.52683 484.23323
7000.0000 -210.97057 -206.65760 4.31297 2.03316 -206.16371 499.72026
FREEZING PROCESS: loop number 29 T-loop= 454.00000000000000
main_MD> interactions number 29 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.24131 -0.87773 0.77204
force_rgl> df(natom) -0.08543 -2.33175 0.88144
7005.0000 -211.03221 -205.91871 5.11350 2.03611 -206.10760 503.18797
7010.0000 -211.28972 -206.25362 5.03610 2.04469 -205.94434 496.38640
7015.0000 -210.81683 -205.29980 5.51702 2.04765 -205.88809 482.65323
7020.0000 -210.97446 -206.48401 4.49045 2.05376 -205.77169 490.25391
7025.0000 -211.34997 -206.64337 4.70660 2.01321 -206.54331 454.00773
7030.0000 -210.84287 -206.00207 4.84080 1.99923 -206.80930 442.63984
7035.0000 -211.94279 -206.47805 5.46474 2.00383 -206.72183 447.13999
7040.0000 -212.36272 -206.85866 5.50406 1.99634 -206.86424 448.53676
7045.0000 -211.58571 -206.71088 4.87483 1.99993 -206.79610 454.04456
7050.0000 -211.62405 -206.89175 4.73231 1.97888 -207.19648 432.31472
7055.0000 -211.64147 -206.75515 4.88632 1.98691 -207.04368 435.78305
7060.0000 -211.95652 -206.90164 5.05489 1.99421 -206.90479 439.36882
7065.0000 -211.22840 -206.15840 5.07001 2.03666 -206.09718 486.65063
7070.0000 -212.05996 -206.70474 5.35522 2.03285 -206.16956 484.25540
7075.0000 -210.97032 -206.92303 4.04729 1.96703 -207.42194 435.87952
7080.0000 -212.41262 -207.39565 5.01697 2.00759 -206.65029 465.31667
7085.0000 -211.41848 -206.62557 4.79292 1.98692 -207.04358 446.47925
7090.0000 -211.77779 -206.23523 5.54256 2.02276 -206.36158 478.39832
7095.0000 -211.69282 -205.95060 5.74222 2.05920 -205.66822 492.24634
7100.0000 -211.07009 -205.20372 5.86637 2.07989 -205.27454 516.86382
7105.0000 -210.50972 -204.95458 5.55513 2.07407 -205.38534 484.71961
7110.0000 -210.12524 -205.90190 4.22333 2.09624 -204.96342 503.22328
7115.0000 -210.28210 -205.23528 5.04682 2.06131 -205.62814 473.12514
7120.0000 -211.64525 -205.98955 5.65570 2.04420 -205.95362 493.28289
7125.0000 -211.36010 -206.66375 4.69635 2.02068 -206.40118 462.06698
7130.0000 -212.51984 -206.87698 5.64286 1.99165 -206.95360 449.15839
7135.0000 -212.43376 -207.38522 5.04854 1.98533 -207.07389 460.33250
7140.0000 -211.74589 -206.86880 4.87709 1.98741 -207.03416 463.68398
7145.0000 -212.53266 -207.65592 4.87673 1.99335 -206.92123 471.93939
7150.0000 -212.48545 -207.46356 5.02189 1.96521 -207.45662 452.68352
7155.0000 -211.79757 -205.89458 5.90299 1.97303 -207.30784 446.07334
7160.0000 -211.55824 -206.28867 5.26957 2.06349 -205.58657 521.12724
7165.0000 -212.26427 -207.37038 4.89390 1.99481 -206.89349 466.49173
7170.0000 -211.92034 -207.38516 4.53518 1.94885 -207.76802 437.67806
7175.0000 -212.35634 -207.56715 4.78919 1.97575 -207.25616 449.21310
7180.0000 -213.05399 -208.63806 4.41594 1.93735 -207.98673 430.57697
7185.0000 -212.18541 -207.94489 4.24052 1.93326 -208.06459 427.18480
7190.0000 -213.11412 -209.46420 3.64992 1.91135 -208.48143 405.06284
7195.0000 -212.60792 -207.88522 4.72270 1.91015 -208.50423 407.39070
7200.0000 -211.66235 -207.43757 4.22478 1.96946 -207.37576 445.51145
7205.0000 -212.17223 -207.34421 4.82802 1.98041 -207.16744 449.23150
7210.0000 -212.06654 -207.57677 4.48977 1.97315 -207.30561 438.37649
7215.0000 -212.27797 -207.24680 5.03117 1.96426 -207.47477 426.82556
7220.0000 -211.79047 -207.15997 4.63050 1.96764 -207.41042 428.00193
7225.0000 -211.92160 -207.08335 4.83824 1.99933 -206.80748 471.07956
7230.0000 -212.35149 -207.37406 4.97744 1.99351 -206.91813 466.48424
7235.0000 -212.24468 -208.42063 3.82405 1.93695 -207.99442 425.58212
7240.0000 -212.00385 -206.51856 5.48529 1.98342 -207.11007 456.12387
7245.0000 -212.87880 -207.67415 5.20465 2.00161 -206.76404 481.26205
7250.0000 -212.09236 -207.76609 4.32627 1.94407 -207.85897 425.68558
FREEZING PROCESS: loop number 30 T-loop= 429.00000000000000
main_MD> interactions number 30 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27639 0.19389 0.00260
force_rgl> df(natom) 0.25501 -0.04424 4.23568
7255.0000 -213.09984 -207.75719 5.34265 1.95590 -207.63374 432.26464
7260.0000 -212.11672 -207.29553 4.82119 1.94377 -207.86466 426.47098
7265.0000 -212.89819 -208.22539 4.67281 1.93959 -207.94411 421.06001
7270.0000 -211.79658 -207.11709 4.67949 1.94679 -207.80719 435.11128
7275.0000 -211.55687 -207.41941 4.13747 1.97137 -207.33952 423.89889
7280.0000 -212.17560 -207.70025 4.47535 1.97872 -207.19953 423.02508
7285.0000 -212.12929 -207.95589 4.17340 1.93994 -207.93749 407.16192
7290.0000 -212.16124 -207.26176 4.89948 1.95280 -207.69282 423.06916
7295.0000 -211.61533 -206.50527 5.11006 2.00096 -206.77641 448.61986
7300.0000 -212.02886 -207.48070 4.54816 1.97953 -207.18422 437.64021
7305.0000 -211.79149 -207.18500 4.60649 1.98741 -207.03418 448.35067
7310.0000 -211.83736 -206.74544 5.09191 2.00062 -206.78283 476.07538
7315.0000 -212.81162 -208.14073 4.67088 1.96886 -207.38716 443.14194
7320.0000 -211.80212 -207.28062 4.52150 1.96453 -207.46963 439.60735
7325.0000 -212.02383 -207.88808 4.13575 1.94617 -207.81889 430.81478
7330.0000 -212.82690 -208.25427 4.57263 1.93229 -208.08309 410.82638
7335.0000 -212.64222 -207.90466 4.73756 1.93158 -208.09663 411.01135
7340.0000 -211.49467 -206.91307 4.58160 1.95589 -207.63398 422.87435
7345.0000 -212.05105 -207.26437 4.78668 1.97608 -207.24989 449.61096
7350.0000 -211.71668 -206.82892 4.88775 1.99978 -206.79878 456.19613
7355.0000 -212.51585 -207.16594 5.34990 2.00704 -206.66072 471.31859
7360.0000 -212.15051 -207.20426 4.94625 1.96490 -207.46250 437.93715
7365.0000 -212.17358 -207.29242 4.88116 1.96649 -207.43226 432.83215
7370.0000 -211.61944 -207.00950 4.60994 1.97328 -207.30305 437.87221
7375.0000 -211.87322 -207.44893 4.42430 1.97657 -207.24046 431.46941
7380.0000 -211.42651 -207.05801 4.36850 1.95869 -207.58077 430.00060
7385.0000 -212.38984 -207.76660 4.62325 1.98512 -207.07789 456.47380
7390.0000 -212.40314 -207.69837 4.70477 1.95152 -207.71705 435.93720
7395.0000 -212.22650 -207.74608 4.48042 1.92954 -208.13531 415.03212
7400.0000 -212.73695 -208.30858 4.42838 1.92625 -208.19796 402.28145
7405.0000 -212.47215 -209.02746 3.44468 1.89510 -208.79067 380.83864
7410.0000 -212.35376 -208.15801 4.19576 1.91779 -208.35886 401.94619
7415.0000 -212.77743 -208.26742 4.51001 1.93765 -207.98098 414.79415
7420.0000 -213.03279 -208.14762 4.88517 1.95119 -207.72345 421.47001
7425.0000 -212.90172 -207.92753 4.97419 1.93899 -207.95560 425.27477
7430.0000 -212.21320 -207.70343 4.50977 1.95174 -207.71289 443.29889
7435.0000 -212.42769 -207.46149 4.96620 1.94716 -207.80001 426.40415
7440.0000 -213.01583 -207.49824 5.51759 1.97118 -207.34307 452.64626
7445.0000 -211.52286 -207.21134 4.31151 1.98443 -207.09094 455.78456
7450.0000 -212.58349 -207.98312 4.60036 1.95789 -207.59601 428.86532
7455.0000 -212.27146 -206.75279 5.51867 1.96746 -207.41385 433.73653
7460.0000 -211.88345 -206.32414 5.55930 1.98755 -207.03161 442.25178
7465.0000 -211.75513 -206.29938 5.45575 1.98309 -207.11636 444.97113
7470.0000 -212.27831 -207.51807 4.76025 2.00279 -206.74155 463.42492
7475.0000 -211.86377 -207.69727 4.16650 1.95881 -207.57846 422.62725
7480.0000 -212.59632 -207.97623 4.62009 1.95864 -207.58166 426.13069
7485.0000 -211.98351 -207.44319 4.54033 1.96785 -207.40639 434.06310
7490.0000 -212.05218 -207.63590 4.41628 1.94821 -207.78008 422.30543
7495.0000 -212.35750 -207.75075 4.60675 1.94029 -207.93090 428.90267
7500.0000 -212.06801 -207.43139 4.63662 1.95906 -207.57368 439.00609
FREEZING PROCESS: loop number 31 T-loop= 404.00000000000000
main_MD> interactions number 31 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.02135 0.28256 0.40586
force_rgl> df(natom) -2.27087 -2.84197 -1.17827
7505.0000 -212.60082 -208.39431 4.20651 1.92664 -208.19053 411.30549
7510.0000 -212.67943 -208.52765 4.15179 1.89858 -208.72440 395.80334
7515.0000 -212.83770 -208.40258 4.43512 1.93348 -208.06036 424.62293
7520.0000 -212.97767 -208.92421 4.05346 1.92305 -208.25879 412.71024
7525.0000 -212.88238 -208.68203 4.20035 1.90203 -208.65877 393.22070
7530.0000 -213.05371 -208.21757 4.83614 1.90700 -208.56433 404.81043
7535.0000 -212.79075 -207.51564 5.27510 1.95755 -207.60248 435.20923
7540.0000 -212.49728 -207.64878 4.84850 1.96585 -207.44454 438.98224
7545.0000 -212.29849 -207.49581 4.80268 1.95778 -207.59803 430.14031
7550.0000 -212.88492 -207.93770 4.94722 1.94413 -207.85770 421.22398
7555.0000 -212.21162 -207.25112 4.96050 1.95043 -207.73796 429.59745
7560.0000 -212.28954 -208.34451 3.94503 1.93909 -207.95368 418.80283
7565.0000 -212.59331 -207.81634 4.77696 1.92511 -208.21969 414.69666
7570.0000 -213.11926 -208.50256 4.61671 1.91761 -208.36238 410.18948
7575.0000 -213.07057 -209.05401 4.01657 1.89476 -208.79714 388.92887
7580.0000 -213.03115 -208.77642 4.25473 1.87173 -209.23535 371.62688
7585.0000 -213.95703 -209.56044 4.39659 1.86329 -209.39589 366.00990
7590.0000 -213.13315 -209.41630 3.71685 1.86763 -209.31344 367.37955
7595.0000 -212.31709 -208.54492 3.77217 1.88934 -208.90034 384.40139
7600.0000 -213.06534 -208.73796 4.32738 1.92046 -208.30822 408.88068
7605.0000 -212.24489 -208.41952 3.82537 1.90651 -208.57365 398.90220
7610.0000 -213.21795 -208.75525 4.46270 1.91689 -208.37600 403.02542
7615.0000 -213.43184 -209.47840 3.95344 1.89766 -208.74193 396.62868
7620.0000 -213.46481 -209.30048 4.16433 1.88106 -209.05778 379.87240
7625.0000 -212.33836 -208.44346 3.89490 1.90684 -208.56728 402.37317
7630.0000 -212.30588 -208.00577 4.30011 1.93292 -208.07109 416.47237
7635.0000 -212.69854 -208.63285 4.06569 1.93032 -208.12056 415.44199
7640.0000 -212.62292 -208.18261 4.44031 1.93705 -207.99244 415.56409
7645.0000 -213.04444 -208.25420 4.79023 1.92697 -208.18435 409.03859
7650.0000 -213.45002 -208.95111 4.49891 1.93335 -208.06290 418.26430
7655.0000 -212.38789 -208.32820 4.05969 1.90186 -208.66206 388.84666
7660.0000 -213.10138 -208.44159 4.65978 1.91384 -208.43416 397.62288
7665.0000 -212.84135 -209.14214 3.69921 1.91085 -208.49097 395.52395
7670.0000 -213.60317 -209.50831 4.09486 1.87697 -209.13563 371.09009
7675.0000 -213.04569 -209.01521 4.03049 1.85890 -209.47951 354.30883
7680.0000 -212.96741 -208.60390 4.36351 1.88986 -208.89047 377.67684
7685.0000 -212.17794 -208.13992 4.03801 1.91335 -208.44343 396.60517
7690.0000 -213.03259 -208.92598 4.10661 1.91000 -208.50715 391.18644
7695.0000 -212.99871 -208.73657 4.26214 1.88048 -209.06886 378.99010
7700.0000 -212.72145 -207.98252 4.73892 1.92549 -208.21252 417.02704
7705.0000 -212.21447 -208.02738 4.18709 1.93323 -208.06513 417.05366
7710.0000 -212.15225 -208.35028 3.80198 1.91791 -208.35659 404.04337
7715.0000 -212.76431 -208.13031 4.63400 1.92571 -208.20821 411.34101
7720.0000 -212.62953 -207.97240 4.65713 1.94128 -207.91195 421.61251
7725.0000 -212.38047 -208.30578 4.07469 1.93958 -207.94435 414.50502
7730.0000 -213.05431 -208.60093 4.45338 1.91892 -208.33752 411.37673
7735.0000 -212.74549 -208.60424 4.14124 1.92420 -208.23706 408.03767
7740.0000 -213.61845 -209.21279 4.40567 1.89806 -208.73439 386.14452
7745.0000 -212.58027 -208.86063 3.71964 1.89980 -208.70134 387.46169
7750.0000 -213.07830 -208.88617 4.19214 1.92303 -208.25924 401.28578
FREEZING PROCESS: loop number 32 T-loop= 379.00000000000000
main_MD> interactions number 32 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80558 -2.76483 0.93813
force_rgl> df(natom) 1.62950 -1.17941 1.23810
7755.0000 -213.85989 -209.74850 4.11138 1.85655 -209.52428 358.36166
7760.0000 -213.54962 -209.53834 4.01129 1.84061 -209.82748 346.84689
7765.0000 -213.25277 -209.35648 3.89628 1.87499 -209.17327 376.99696
7770.0000 -213.12453 -209.42743 3.69710 1.86620 -209.34064 367.13818
7775.0000 -213.33263 -209.06703 4.26560 1.87961 -209.08546 375.21862
7780.0000 -213.01890 -209.57110 3.44779 1.88150 -209.04948 379.54500
7785.0000 -213.70781 -209.40097 4.30684 1.84132 -209.81402 347.81111
7790.0000 -213.19329 -208.88030 4.31299 1.87646 -209.14535 376.02227
7795.0000 -213.34147 -209.00712 4.33435 1.86768 -209.31250 369.78539
7800.0000 -213.47713 -209.15650 4.32063 1.89784 -208.73853 394.48629
7805.0000 -213.18966 -208.68073 4.50892 1.87522 -209.16896 374.66997
7810.0000 -213.48564 -209.44561 4.04003 1.87789 -209.11812 376.18903
7815.0000 -213.22796 -209.22322 4.00474 1.87631 -209.14814 371.84485
7820.0000 -212.91863 -209.38096 3.53767 1.88405 -209.00102 389.02676
7825.0000 -212.89861 -208.85869 4.03992 1.88421 -208.99791 388.24961
7830.0000 -213.15325 -208.86283 4.29042 1.93159 -208.09629 420.84884
7835.0000 -213.40338 -209.90728 3.49609 1.88474 -208.98782 385.03125
7840.0000 -212.52408 -209.04691 3.47718 1.84655 -209.71454 351.15356
7845.0000 -212.24812 -208.81140 3.43673 1.88472 -208.98815 371.93655
7850.0000 -212.61545 -208.89846 3.71699 1.90809 -208.54342 392.58452
7855.0000 -212.92204 -209.58903 3.33301 1.89920 -208.71270 395.49313
7860.0000 -213.50731 -209.68267 3.82464 1.85642 -209.52676 361.79691
7865.0000 -212.84388 -209.10309 3.74079 1.85116 -209.62677 349.31376
7870.0000 -212.97083 -209.04687 3.92396 1.88217 -209.03677 379.14761
7875.0000 -212.56892 -208.81947 3.74945 1.89335 -208.82394 384.75156
7880.0000 -212.65885 -208.25590 4.40295 1.90304 -208.63955 393.11962
7885.0000 -212.07717 -207.66192 4.41525 1.93237 -208.08158 416.49337
7890.0000 -212.96242 -208.26719 4.69523 1.92961 -208.13413 415.43767
7895.0000 -212.92133 -208.58780 4.33353 1.92662 -208.19089 418.23315
7900.0000 -213.70042 -209.71590 3.98453 1.87592 -209.15562 376.58840
7905.0000 -212.81290 -209.00321 3.80970 1.88240 -209.03240 384.25222
7910.0000 -212.87488 -208.88278 3.99210 1.89680 -208.75836 391.89095
7915.0000 -213.46824 -209.05735 4.41089 1.88214 -209.03720 377.19529
7920.0000 -213.03075 -209.55037 3.48037 1.86127 -209.43440 362.27350
7925.0000 -213.06406 -209.07003 3.99404 1.85916 -209.47447 363.34155
7930.0000 -213.11492 -208.51912 4.59581 1.90967 -208.51343 394.55590
7935.0000 -212.61879 -208.51717 4.10162 1.89842 -208.72755 392.55965
7940.0000 -213.28326 -209.10436 4.17891 1.89392 -208.81318 389.75532
7945.0000 -212.98657 -208.75754 4.22903 1.88101 -209.05879 378.01656
7950.0000 -212.44028 -207.73359 4.70669 1.91406 -208.42989 402.49107
7955.0000 -212.45665 -208.30040 4.15625 1.92067 -208.30405 409.58305
7960.0000 -213.24500 -208.93004 4.31496 1.87908 -209.09549 373.16249
7965.0000 -212.57139 -208.74697 3.82441 1.88799 -208.92592 376.32977
7970.0000 -212.41586 -208.12532 4.29054 1.90869 -208.53215 385.27791
7975.0000 -213.57399 -209.42100 4.15300 1.91068 -208.49419 400.02674
7980.0000 -213.19601 -209.45363 3.74239 1.87045 -209.25969 369.49709
7985.0000 -213.35684 -209.37605 3.98079 1.87685 -209.13796 377.89745
7990.0000 -213.42634 -209.42587 4.00048 1.87650 -209.14451 381.12276
7995.0000 -213.10142 -209.46777 3.63365 1.84158 -209.80896 348.73061
8000.0000 -212.54118 -208.44565 4.09553 1.87709 -209.13345 372.37515
FREEZING PROCESS: loop number 33 T-loop= 354.00000000000000
main_MD> interactions number 33 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74532 -1.01559 1.16495
force_rgl> df(natom) 0.37456 1.41626 0.69276
8005.0000 -213.94911 -209.55088 4.39823 1.89487 -208.79503 393.56379
8010.0000 -213.99146 -209.67556 4.31590 1.85663 -209.52276 360.56225
8015.0000 -213.59023 -210.22481 3.36542 1.84001 -209.83899 347.61327
8020.0000 -213.63243 -209.70705 3.92538 1.82508 -210.12304 335.31492
8025.0000 -213.51581 -210.29815 3.21766 1.84049 -209.82977 348.98865
8030.0000 -212.95146 -209.23917 3.71229 1.84926 -209.66294 350.56147
8035.0000 -213.24245 -209.07511 4.16734 1.85816 -209.49356 359.51905
8040.0000 -212.52171 -208.33932 4.18239 1.89613 -208.77107 387.81592
8045.0000 -213.11891 -209.35752 3.76139 1.91201 -208.46898 401.94214
8050.0000 -212.68637 -209.19159 3.49478 1.88579 -208.96780 388.20543
8055.0000 -213.12267 -209.20189 3.92078 1.87353 -209.20104 378.44533
8060.0000 -212.92239 -209.15863 3.76376 1.88481 -208.98656 380.06866
8065.0000 -213.81238 -210.30729 3.50508 1.84899 -209.66810 352.14237
8070.0000 -213.41598 -210.23247 3.18351 1.81750 -210.26727 325.40698
8075.0000 -214.15396 -210.38751 3.76645 1.80940 -210.42136 318.79523
8080.0000 -213.52605 -209.93716 3.58889 1.82679 -210.09045 339.96943
8085.0000 -213.76443 -209.86097 3.90345 1.83862 -209.86540 346.48319
8090.0000 -213.66030 -209.66003 4.00027 1.84356 -209.77141 350.48681
8095.0000 -213.27898 -209.94434 3.33464 1.83462 -209.94150 343.00397
8100.0000 -213.91216 -210.13356 3.77860 1.85855 -209.48614 360.36465
8105.0000 -213.58053 -209.47581 4.10472 1.84418 -209.75966 343.98413
8110.0000 -213.64400 -210.10663 3.53736 1.84858 -209.67593 351.38713
8115.0000 -213.04988 -209.53652 3.51336 1.83865 -209.86484 336.90602
8120.0000 -213.76793 -209.88212 3.88581 1.84653 -209.71479 352.89480
8125.0000 -213.27705 -209.61358 3.66346 1.84436 -209.75605 354.16818
8130.0000 -213.82037 -209.70486 4.11551 1.86034 -209.45204 365.50242
8135.0000 -213.88878 -210.30502 3.58376 1.83674 -209.90115 345.28881
8140.0000 -213.71346 -209.95254 3.76091 1.82870 -210.05408 340.81137
8145.0000 -213.83473 -209.90740 3.92733 1.83788 -209.87952 345.10682
8150.0000 -214.02283 -210.44249 3.58034 1.83671 -209.90178 343.89268
8155.0000 -213.13896 -208.93597 4.20298 1.85250 -209.60129 354.29210
8160.0000 -213.53218 -209.90255 3.62963 1.88639 -208.95646 377.13161
8165.0000 -213.67457 -210.30754 3.36704 1.83453 -209.94316 341.60985
8170.0000 -213.91797 -209.98099 3.93699 1.83779 -209.88114 349.59096
8175.0000 -213.58622 -209.52007 4.06615 1.85866 -209.48408 363.76974
8180.0000 -213.54500 -209.14687 4.39813 1.85815 -209.49374 364.89476
8185.0000 -214.15352 -210.06555 4.08797 1.83976 -209.84374 349.55568
8190.0000 -213.77175 -210.36943 3.40232 1.83136 -210.00352 336.69858
8195.0000 -213.90624 -210.27174 3.63450 1.81312 -210.35062 323.94642
8200.0000 -212.79682 -208.91668 3.88015 1.84431 -209.75713 350.13514
8205.0000 -213.58388 -209.43625 4.14763 1.86779 -209.31041 371.04515
8210.0000 -213.79899 -210.65229 3.14670 1.82486 -210.12726 336.65992
8215.0000 -213.56595 -209.71653 3.84942 1.81266 -210.35936 328.26024
8220.0000 -213.10368 -209.58597 3.51771 1.83876 -209.86261 342.33343
8225.0000 -213.43265 -209.66042 3.77223 1.84301 -209.78189 349.35216
8230.0000 -212.74994 -209.33991 3.41004 1.85537 -209.54668 363.33164
8235.0000 -213.63866 -210.05577 3.58289 1.83817 -209.87400 348.18349
8240.0000 -214.05063 -210.06118 3.98944 1.83949 -209.84874 347.18586
8245.0000 -213.45616 -209.35727 4.09889 1.83518 -209.93078 338.77692
8250.0000 -212.99952 -209.03358 3.96594 1.86144 -209.43107 356.76702
FREEZING PROCESS: loop number 34 T-loop= 329.00000000000000
main_MD> interactions number 34 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.87619 -4.02238 -1.00736
force_rgl> df(natom) -2.63439 0.24094 -0.50539
8255.0000 -213.34040 -209.83887 3.50153 1.85765 -209.50331 361.72263
8260.0000 -213.67384 -210.33196 3.34188 1.83935 -209.85150 342.45670
8265.0000 -213.29042 -209.78245 3.50797 1.81806 -210.25655 323.65581
8270.0000 -212.84064 -209.32640 3.51425 1.86730 -209.31957 359.35632
8275.0000 -212.97418 -209.34135 3.63284 1.84933 -209.66156 336.34105
8280.0000 -213.64224 -209.90335 3.73888 1.84303 -209.78146 332.31907
8285.0000 -214.27836 -210.95844 3.31992 1.81146 -210.38211 318.41929
8290.0000 -213.81479 -210.44646 3.36834 1.80001 -210.60006 310.37497
8295.0000 -213.80866 -210.58339 3.22528 1.80491 -210.50685 318.77613
8300.0000 -213.27273 -209.37228 3.90045 1.83114 -210.00770 342.68737
8305.0000 -213.81602 -209.99173 3.82428 1.84902 -209.66750 355.06523
8310.0000 -213.78204 -209.92368 3.85836 1.81461 -210.32230 328.64374
8315.0000 -214.70259 -210.89617 3.80642 1.80319 -210.53954 320.05956
8320.0000 -214.01160 -210.53004 3.48155 1.78848 -210.81950 308.01998
8325.0000 -213.78467 -210.44301 3.34166 1.80519 -210.50153 319.17470
8330.0000 -213.64564 -209.89596 3.74968 1.83941 -209.85024 337.91364
8335.0000 -213.76938 -210.74991 3.01947 1.81218 -210.36849 315.25932
8340.0000 -213.45743 -210.12479 3.33264 1.80692 -210.46851 318.06061
8345.0000 -213.49800 -209.19894 4.29906 1.84642 -209.71689 351.81735
8350.0000 -213.63011 -210.29216 3.33795 1.83694 -209.89735 330.66875
8355.0000 -213.83066 -210.22071 3.60995 1.83197 -209.99199 340.40541
8360.0000 -214.16710 -210.52129 3.64581 1.80461 -210.51249 312.63367
8365.0000 -214.38844 -211.02692 3.36152 1.79355 -210.72303 310.64383
8370.0000 -213.53080 -210.16444 3.36636 1.80896 -210.42978 319.68410
8375.0000 -213.26593 -210.08332 3.18261 1.81798 -210.25803 328.35963
8380.0000 -213.15957 -209.41694 3.74263 1.85820 -209.49280 358.45538
8385.0000 -213.81577 -210.39286 3.42291 1.83413 -209.95084 340.01336
8390.0000 -214.09644 -210.64505 3.45139 1.79437 -210.70743 309.36530
8395.0000 -214.26808 -210.69671 3.57136 1.79125 -210.76663 306.52546
8400.0000 -213.93355 -210.53015 3.40340 1.80397 -210.52470 315.55117
8405.0000 -213.94729 -210.79822 3.14907 1.80095 -210.58207 312.02012
8410.0000 -214.07972 -210.63123 3.44849 1.80298 -210.54344 316.20905
8415.0000 -213.94462 -210.75671 3.18791 1.79645 -210.66768 309.27548
8420.0000 -214.05045 -211.04100 3.00945 1.78487 -210.88807 299.23509
8425.0000 -214.46349 -210.93810 3.52538 1.80513 -210.50258 314.67875
8430.0000 -214.07979 -210.53731 3.54249 1.78498 -210.88596 301.50150
8435.0000 -213.64589 -210.63748 3.00841 1.79610 -210.67441 304.21224
8440.0000 -214.30120 -210.78190 3.51930 1.78422 -210.90048 299.03533
8445.0000 -213.38216 -209.63074 3.75141 1.83126 -210.00534 338.64507
8450.0000 -213.19320 -209.30796 3.88524 1.85058 -209.63785 355.49725
8455.0000 -213.42775 -209.79959 3.62817 1.85501 -209.55352 354.17341
8460.0000 -214.03211 -210.84073 3.19138 1.80588 -210.48841 316.29811
8465.0000 -213.23447 -210.60292 2.63156 1.79662 -210.66450 306.73483
8470.0000 -213.69283 -210.19165 3.50118 1.82011 -210.21758 328.41673
8475.0000 -213.83810 -210.67498 3.16312 1.80401 -210.52383 314.43631
8480.0000 -213.79246 -210.52685 3.26562 1.82119 -210.19693 328.49022
8485.0000 -213.80964 -210.17154 3.63810 1.80242 -210.55422 315.92264
8490.0000 -213.85290 -210.07231 3.78060 1.83592 -209.91670 345.19921
8495.0000 -214.16277 -210.32775 3.83502 1.82718 -210.08308 330.35931
8500.0000 -213.57768 -209.71213 3.86555 1.83508 -209.93275 342.01773
FREEZING PROCESS: loop number 35 T-loop= 304.00000000000000
main_MD> interactions number 35 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98964 0.08537 0.19756
force_rgl> df(natom) 2.90708 1.16874 1.27950
8505.0000 -213.81886 -210.16592 3.65294 1.82305 -210.16164 328.78736
8510.0000 -213.69853 -210.55456 3.14396 1.82076 -210.20518 328.56019
8515.0000 -214.20217 -210.83863 3.36353 1.78621 -210.86269 300.66089
8520.0000 -214.22430 -211.20092 3.02338 1.77140 -211.14444 284.56534
8525.0000 -213.22187 -209.43392 3.78795 1.81797 -210.25834 325.72194
8530.0000 -213.75499 -210.08509 3.66990 1.83155 -209.99982 339.68851
8535.0000 -213.81942 -210.30806 3.51136 1.83426 -209.94825 336.67521
8540.0000 -214.05013 -210.54647 3.50366 1.81719 -210.27315 327.33861
8545.0000 -214.00254 -210.59388 3.40866 1.77873 -211.00490 296.31551
8550.0000 -213.51676 -210.32181 3.19495 1.80592 -210.48762 315.90842
8555.0000 -213.72121 -210.11409 3.60713 1.80509 -210.50337 318.70435
8560.0000 -214.30890 -210.65673 3.65217 1.81335 -210.34611 323.46464
8565.0000 -214.03173 -210.61223 3.41950 1.78124 -210.95713 298.46098
8570.0000 -213.70007 -210.13802 3.56205 1.82241 -210.17386 334.22988
8575.0000 -214.19469 -210.51843 3.67626 1.82364 -210.15042 333.07531
8580.0000 -213.73786 -210.53213 3.20573 1.78706 -210.84646 300.95179
8585.0000 -213.90596 -210.38510 3.52086 1.80574 -210.49104 313.47976
8590.0000 -213.49848 -209.99179 3.50669 1.82000 -210.21958 324.51104
8595.0000 -214.18182 -210.94402 3.23780 1.81215 -210.36901 321.84146
8600.0000 -214.00525 -210.87070 3.13456 1.79765 -210.64494 310.68740
8605.0000 -213.70166 -210.48349 3.21817 1.79160 -210.76008 307.84503
8610.0000 -214.19550 -211.18159 3.01390 1.78646 -210.85777 302.61120
8615.0000 -214.67830 -211.78688 2.89142 1.75318 -211.49105 269.47107
8620.0000 -213.95439 -210.91545 3.03895 1.76987 -211.17347 287.78536
8625.0000 -214.36908 -210.72714 3.64194 1.78683 -210.85074 298.52091
8630.0000 -214.15322 -210.75824 3.39498 1.78374 -210.90959 296.87253
8635.0000 -214.02264 -210.49109 3.53155 1.80354 -210.53288 313.94558
8640.0000 -214.08509 -211.11491 2.97018 1.79682 -210.66073 305.66121
8645.0000 -214.32087 -210.87715 3.44372 1.78343 -210.91546 294.53987
8650.0000 -214.06519 -211.25643 2.80876 1.77568 -211.06305 288.78964
8655.0000 -213.88310 -210.98109 2.90200 1.75502 -211.45610 271.72194
8660.0000 -214.13317 -211.32541 2.80777 1.76639 -211.23967 281.58870
8665.0000 -214.38061 -210.82043 3.56018 1.76095 -211.34322 274.98544
8670.0000 -213.80547 -210.70038 3.10509 1.78007 -210.97949 293.50122
8675.0000 -213.70390 -210.39507 3.30883 1.79824 -210.63369 304.56650
8680.0000 -214.11028 -210.46243 3.64785 1.81986 -210.22227 327.24520
8685.0000 -213.86914 -210.40520 3.46394 1.79359 -210.72218 306.94862
8690.0000 -213.67656 -210.78566 2.89090 1.80471 -210.51059 317.53520
8695.0000 -213.18936 -209.91998 3.26938 1.81170 -210.37765 319.63312
8700.0000 -213.67172 -209.92525 3.74646 1.84249 -209.79175 347.84270
8705.0000 -213.91232 -209.98982 3.92250 1.83798 -209.87751 338.59261
8710.0000 -214.12221 -211.02174 3.10047 1.79973 -210.60537 312.61142
8715.0000 -214.38581 -211.22875 3.15706 1.76196 -211.32393 279.44558
8720.0000 -213.91989 -210.85162 3.06827 1.76422 -211.28097 280.45236
8725.0000 -214.48849 -211.37367 3.11482 1.76974 -211.17592 287.57975
8730.0000 -214.02000 -210.77229 3.24771 1.76250 -211.31368 282.39730
8735.0000 -214.03916 -210.52962 3.50954 1.80142 -210.57314 315.00109
8740.0000 -214.21312 -210.46287 3.75025 1.78202 -210.94233 298.33439
8745.0000 -214.43794 -210.93491 3.50303 1.79656 -210.66559 309.58640
8750.0000 -214.02842 -210.81798 3.21044 1.78973 -210.79563 303.85577
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 22.8621981 [s].
main_MD> Deallocating global variables
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