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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_44/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_44.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 = 44 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 44 4400
main_MD> Size of nv and nvoiz: 44 4400
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 = 44
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.16874102337615102 1.0460174458216252E-002 -0.14627769755698691 initial drift of cluster / NP1 for coalescence
init> 0.34076112859168223 0.31119308197359757 0.28341485267964450 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5201960025417508E-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) -1.43583 -0.71333 0.96617
force_rgl> df(natom) 2.11905 2.84189 -2.53188
preparo> THERMALIZATION PROCESS AT 1077.3059284920032
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -92.799968130537636 7.3305008992982170 -100.13046902983585 6.4229810089517950E-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 31
FREEZING PROCESS: loop number 1 T-loop= 1050.0000000000000
main_MD> interactions number 1 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38200 -1.15170 4.05313
force_rgl> df(natom) -1.78323 -0.46241 -0.16966
5.0000 -100.66556 -94.36619 6.29938 2.95174 -93.01137 1230.33343
10.0000 -101.60928 -93.90102 7.70826 2.85826 -94.17653 1214.34138
15.0000 -100.61887 -94.03024 6.58863 2.83433 -94.47468 1202.90629
20.0000 -102.14893 -95.22034 6.92859 2.89772 -93.68464 1185.62909
25.0000 -102.16018 -96.69293 5.46724 2.73474 -95.71596 1064.66034
30.0000 -101.69289 -94.89497 6.79792 2.75787 -95.42766 1141.42191
35.0000 -101.92072 -95.83327 6.08745 2.64872 -96.78806 1064.00437
40.0000 -102.73007 -94.94282 7.78725 2.74690 -95.56436 1144.26636
45.0000 -101.56206 -96.24810 5.31396 2.71255 -95.99250 1054.37502
50.0000 -103.07900 -97.15665 5.92235 2.63884 -96.91119 1004.67929
55.0000 -102.01893 -96.01587 6.00307 2.67466 -96.46480 1097.68303
60.0000 -104.09132 -97.56086 6.53046 2.64483 -96.83652 1052.03291
65.0000 -103.21043 -96.48683 6.72360 2.61366 -97.22500 1027.17209
70.0000 -101.20090 -93.62893 7.57196 2.78899 -95.03976 1131.74603
75.0000 -101.47544 -94.07134 7.40410 2.90147 -93.63798 1216.74668
80.0000 -101.89788 -96.50392 5.39395 2.76489 -95.34023 1123.16804
85.0000 -103.27787 -98.50510 4.77278 2.57974 -97.64779 993.41386
90.0000 -103.19066 -96.73822 6.45244 2.59986 -97.39702 1018.42661
95.0000 -103.20361 -97.03529 6.16832 2.64758 -96.80225 1075.98419
100.0000 -102.96140 -97.03915 5.92225 2.61508 -97.20732 1017.71151
105.0000 -102.60825 -97.18814 5.42011 2.61441 -97.21573 999.56331
110.0000 -101.69672 -95.09745 6.59927 2.76952 -95.28252 1142.12608
115.0000 -99.84474 -93.58017 6.26458 2.88336 -93.86364 1239.66743
120.0000 -103.18859 -96.41186 6.77673 2.82063 -94.64542 1185.00431
125.0000 -103.11926 -96.19639 6.92287 2.68886 -96.28780 1068.75996
130.0000 -102.40327 -95.65124 6.75203 2.78382 -95.10420 1158.59353
135.0000 -101.88959 -94.29201 7.59759 2.82861 -94.54606 1212.23646
140.0000 -103.30945 -98.41881 4.89063 2.61667 -97.18747 964.74359
145.0000 -101.75700 -94.86245 6.89455 2.66075 -96.63807 1051.10109
150.0000 -102.98407 -97.31004 5.67403 2.72796 -95.80047 1074.70018
155.0000 -102.15519 -97.03318 5.12202 2.62328 -97.10507 1006.65367
160.0000 -101.53822 -97.13676 4.40146 2.61602 -97.19563 1032.34703
165.0000 -101.84052 -97.10168 4.73884 2.62872 -97.03730 1002.62642
170.0000 -100.77716 -95.02600 5.75115 2.66578 -96.57547 1045.34082
175.0000 -101.49234 -95.63242 5.85992 2.82243 -94.62302 1168.36623
180.0000 -101.65779 -94.21786 7.43993 2.78133 -95.13535 1135.70577
185.0000 -103.29084 -97.06837 6.22247 2.75844 -95.42058 1177.20378
190.0000 -103.59620 -98.15774 5.43846 2.57339 -97.72695 982.22627
195.0000 -101.98440 -95.42618 6.55822 2.64832 -96.79304 1014.27764
200.0000 -101.94991 -96.76735 5.18256 2.76455 -95.34437 1134.79907
205.0000 -102.49767 -95.99088 6.50679 2.66320 -96.60756 1034.20858
210.0000 -101.36445 -95.37779 5.98666 2.73482 -95.71496 1134.37716
215.0000 -101.04691 -95.41750 5.62941 2.66140 -96.63005 1086.77794
220.0000 -103.55253 -95.18893 8.36360 2.79236 -94.99787 1144.93133
225.0000 -102.87633 -96.25161 6.62472 2.77732 -95.18522 1140.26867
230.0000 -103.96077 -98.04635 5.91442 2.57773 -97.67284 974.71187
235.0000 -102.99412 -96.58463 6.40948 2.64378 -96.84959 1054.30763
240.0000 -103.01164 -97.19034 5.82130 2.62303 -97.10824 1033.92808
245.0000 -102.59912 -96.33214 6.26699 2.59110 -97.50622 999.76286
250.0000 -104.05021 -97.21399 6.83622 2.73451 -95.71877 1109.99736
FREEZING PROCESS: loop number 2 T-loop= 1025.0000000000000
main_MD> interactions number 2 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73769 -2.23090 -1.67229
force_rgl> df(natom) -1.75176 -1.41666 -0.55600
255.0000 -103.81373 -97.97818 5.83555 2.54585 -98.07012 962.92528
260.0000 -103.66594 -98.06866 5.59728 2.54509 -98.07963 965.85628
265.0000 -103.70306 -98.58289 5.12017 2.53373 -98.22124 959.94066
270.0000 -100.99498 -95.99895 4.99602 2.62730 -97.05499 1047.68725
275.0000 -102.58963 -95.93499 6.65464 2.73308 -95.73669 1094.92009
280.0000 -102.74298 -96.05418 6.68880 2.70881 -96.03917 1105.19722
285.0000 -101.20654 -94.37617 6.83037 2.77931 -95.16044 1124.40225
290.0000 -100.93504 -95.08236 5.85268 2.82190 -94.62967 1129.32816
295.0000 -101.30862 -95.28454 6.02408 2.72165 -95.87910 1066.91690
300.0000 -102.82022 -96.96068 5.85955 2.73815 -95.67351 1060.41373
305.0000 -101.95457 -96.19990 5.75467 2.66433 -96.59355 1046.66459
310.0000 -103.19116 -97.07820 6.11295 2.63701 -96.93398 998.27437
315.0000 -103.77080 -97.02507 6.74574 2.59314 -97.48074 1019.32089
320.0000 -103.00545 -98.21061 4.79484 2.57950 -97.65081 978.70971
325.0000 -103.06302 -97.44207 5.62095 2.54603 -98.06786 964.92702
330.0000 -102.14681 -95.77819 6.36862 2.64380 -96.84932 1028.59500
335.0000 -103.22554 -96.58425 6.64128 2.67889 -96.41198 1095.62025
340.0000 -100.85180 -95.42624 5.42556 2.67377 -96.47586 1056.86011
345.0000 -102.68978 -95.99520 6.69458 2.74850 -95.54448 1070.95221
350.0000 -102.64310 -97.45133 5.19177 2.69327 -96.23281 1053.96610
355.0000 -101.25044 -95.48858 5.76186 2.67619 -96.44568 1045.12515
360.0000 -102.65842 -95.25459 7.40383 2.76927 -95.28564 1111.50020
365.0000 -103.86101 -97.68961 6.17140 2.67133 -96.50619 1060.72803
370.0000 -103.10177 -96.59430 6.50748 2.64263 -96.86393 1017.51725
375.0000 -103.43205 -97.86787 5.56418 2.57204 -97.74376 984.67789
380.0000 -102.45508 -96.31756 6.13752 2.60229 -97.36678 1006.63342
385.0000 -102.71340 -96.47172 6.24169 2.69673 -96.18974 1087.35354
390.0000 -102.37675 -96.20476 6.17199 2.73695 -95.68845 1045.33125
395.0000 -101.70377 -95.18609 6.51768 2.69367 -96.22778 1077.91105
400.0000 -101.05076 -95.82671 5.22405 2.75768 -95.43001 1107.67778
405.0000 -103.47628 -97.26696 6.20932 2.69765 -96.17818 1091.57047
410.0000 -103.59209 -98.63020 4.96189 2.62298 -97.10887 1044.43778
415.0000 -103.23753 -97.67911 5.55841 2.56577 -97.82195 949.79357
420.0000 -104.21979 -98.54920 5.67059 2.50873 -98.53284 947.17611
425.0000 -102.56371 -97.19281 5.37091 2.53759 -98.17315 953.37623
430.0000 -101.99659 -97.03280 4.96379 2.63771 -96.92527 1024.86262
435.0000 -101.86623 -95.42814 6.43809 2.66307 -96.60918 1032.20937
440.0000 -102.56971 -96.87371 5.69600 2.72227 -95.87136 1089.44530
445.0000 -101.77030 -94.74839 7.02192 2.72213 -95.87309 1074.17340
450.0000 -101.42957 -95.54633 5.88324 2.72494 -95.83812 1107.25775
455.0000 -101.94713 -96.15463 5.79250 2.75250 -95.49464 1114.39874
460.0000 -103.28406 -97.61867 5.66539 2.67978 -96.40097 1061.94534
465.0000 -104.09788 -97.89790 6.19998 2.53253 -98.23615 911.79280
470.0000 -103.02622 -97.20444 5.82179 2.62887 -97.03548 1025.69419
475.0000 -101.52604 -96.35493 5.17110 2.70003 -96.14857 1042.71146
480.0000 -102.51653 -97.50126 5.01527 2.62611 -97.06985 1031.91269
485.0000 -103.28181 -97.10599 6.17583 2.64286 -96.86102 1011.87681
490.0000 -102.29463 -94.84653 7.44810 2.72757 -95.80528 1103.63886
495.0000 -104.14297 -97.90510 6.23787 2.62832 -97.04231 1051.36623
500.0000 -102.01905 -97.17712 4.84193 2.60871 -97.28667 961.73124
FREEZING PROCESS: loop number 3 T-loop= 1000.0000000000000
main_MD> interactions number 3 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25865 -1.52747 1.60908
force_rgl> df(natom) 0.53156 -0.59977 -2.12877
505.0000 -103.62003 -97.71258 5.90745 2.60117 -97.38068 1004.38411
510.0000 -103.15476 -97.46010 5.69466 2.60251 -97.36399 1014.92101
515.0000 -102.06610 -96.36492 5.70118 2.58321 -97.60451 1014.98381
520.0000 -102.41857 -96.88000 5.53856 2.67997 -96.39853 1048.71857
525.0000 -104.14984 -98.93986 5.20999 2.54309 -98.10450 984.04708
530.0000 -104.21617 -99.31101 4.90516 2.45644 -99.18451 887.07884
535.0000 -103.32133 -97.88688 5.43444 2.51482 -98.45684 996.29919
540.0000 -103.23173 -99.48860 3.74312 2.45598 -99.19025 870.09227
545.0000 -102.75165 -98.13883 4.61281 2.56001 -97.89370 984.60355
550.0000 -102.97682 -97.17933 5.79749 2.53033 -98.26361 971.96301
555.0000 -103.04915 -96.78994 6.25920 2.63625 -96.94343 1049.76484
560.0000 -103.32521 -98.67760 4.64760 2.55864 -97.91080 988.68888
565.0000 -102.88370 -98.04157 4.84213 2.54747 -98.05000 973.95529
570.0000 -104.10095 -99.32573 4.77522 2.48227 -98.86252 916.30611
575.0000 -102.33884 -97.13830 5.20054 2.53816 -98.16594 971.84178
580.0000 -102.61405 -96.08551 6.52854 2.65200 -96.74715 1048.96528
585.0000 -101.58686 -95.77495 5.81192 2.70229 -96.12042 1074.00646
590.0000 -103.52197 -98.24544 5.27652 2.55546 -97.95044 993.02417
595.0000 -102.27093 -95.19907 7.07186 2.67246 -96.49212 1084.52609
600.0000 -101.96259 -97.12547 4.83712 2.72574 -95.82806 1085.47970
605.0000 -103.73305 -97.36971 6.36334 2.60502 -97.33276 982.68103
610.0000 -103.54474 -96.94308 6.60165 2.59237 -97.49040 1038.64464
615.0000 -104.29020 -99.46443 4.82577 2.55575 -97.94677 996.75218
620.0000 -103.37661 -97.86032 5.51630 2.46054 -99.13346 906.16620
625.0000 -102.00837 -95.46999 6.53838 2.62657 -97.06406 1022.48387
630.0000 -102.80959 -96.89647 5.91312 2.71577 -95.95234 1111.28875
635.0000 -101.94669 -95.99088 5.95581 2.67318 -96.48326 1030.10746
640.0000 -103.27515 -96.85305 6.42210 2.68983 -96.27568 1063.68926
645.0000 -104.01695 -98.30374 5.71322 2.55296 -97.98152 986.92289
650.0000 -102.27122 -96.75212 5.51910 2.59932 -97.40376 982.08296
655.0000 -103.29259 -97.23449 6.05810 2.64955 -96.77771 1065.13385
660.0000 -101.91748 -96.32314 5.59434 2.60154 -97.37605 998.10913
665.0000 -101.57445 -94.67786 6.89659 2.73857 -95.66820 1075.82903
670.0000 -102.79996 -95.43182 7.36813 2.79821 -94.92486 1199.22871
675.0000 -102.19641 -95.74432 6.45209 2.66537 -96.58049 1038.46713
680.0000 -102.88208 -95.54457 7.33751 2.75624 -95.44802 1169.88100
685.0000 -103.03972 -97.14178 5.89794 2.71311 -95.98551 1139.22794
690.0000 -102.09783 -97.19448 4.90335 2.61385 -97.22260 1009.25802
695.0000 -103.90092 -98.62376 5.27716 2.59326 -97.47925 1005.14682
700.0000 -102.49206 -96.89239 5.59967 2.54821 -98.04080 932.59626
705.0000 -102.47009 -96.90692 5.56317 2.62125 -97.13044 976.12448
710.0000 -102.88238 -96.01744 6.86494 2.62290 -97.10990 1064.69225
715.0000 -102.03569 -95.90302 6.13267 2.69523 -96.20843 1075.34601
720.0000 -103.59306 -97.62441 5.96865 2.63892 -96.91016 1010.96952
725.0000 -102.56994 -96.13197 6.43798 2.65193 -96.74801 1013.50103
730.0000 -102.05152 -95.78340 6.26813 2.75143 -95.50793 1130.93162
735.0000 -102.00110 -96.06282 5.93828 2.66665 -96.56464 1078.64347
740.0000 -103.08969 -95.65500 7.43469 2.76961 -95.28140 1144.36245
745.0000 -102.44406 -96.20653 6.23753 2.66338 -96.60534 1081.81651
750.0000 -102.77677 -97.20041 5.57636 2.60830 -97.29186 1035.10206
FREEZING PROCESS: loop number 4 T-loop= 975.00000000000000
main_MD> interactions number 4 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73673 3.00417 -2.65686
force_rgl> df(natom) 0.55037 0.20024 -0.97531
755.0000 -102.60457 -96.11020 6.49437 2.69432 -96.21971 1060.14301
760.0000 -103.28220 -97.46229 5.81991 2.69566 -96.20300 1030.50847
765.0000 -104.35175 -99.72598 4.62578 2.47804 -98.91535 877.24860
770.0000 -104.09403 -98.83447 5.25956 2.43699 -99.42692 875.12651
775.0000 -102.86712 -97.02893 5.83819 2.56942 -97.77640 934.25096
780.0000 -103.12153 -98.25456 4.86698 2.56419 -97.84155 969.27458
785.0000 -103.30191 -98.14642 5.15549 2.60600 -97.32046 1006.99810
790.0000 -102.94113 -97.45073 5.49039 2.57827 -97.66609 1001.81091
795.0000 -103.52123 -98.31842 5.20281 2.50025 -98.63845 903.61393
800.0000 -104.18759 -97.23409 6.95351 2.59232 -97.49098 1006.76863
805.0000 -103.11206 -98.78827 4.32379 2.45797 -99.16550 897.01193
810.0000 -103.58246 -98.12449 5.45797 2.49567 -98.69554 898.68381
815.0000 -104.46387 -97.70583 6.75804 2.54813 -98.04170 974.94414
820.0000 -103.14575 -97.69382 5.45192 2.57088 -97.75814 977.64225
825.0000 -103.99317 -99.01855 4.97463 2.48518 -98.82634 942.46537
830.0000 -103.69722 -97.82175 5.87547 2.52672 -98.30858 937.47369
835.0000 -102.10060 -96.83671 5.26388 2.61911 -97.15704 1034.95022
840.0000 -104.01420 -98.00111 6.01309 2.61151 -97.25186 1041.17153
845.0000 -102.84078 -96.48087 6.35990 2.59913 -97.40607 1030.72945
850.0000 -104.21934 -98.73148 5.48785 2.60266 -97.36208 1027.35195
855.0000 -103.55903 -98.69537 4.86365 2.47802 -98.91555 882.12010
860.0000 -104.72368 -99.85169 4.87199 2.44018 -99.38711 874.09828
865.0000 -104.77767 -100.07786 4.69980 2.35994 -100.38720 818.19067
870.0000 -102.96256 -98.52838 4.43417 2.46485 -99.07968 927.86175
875.0000 -104.50421 -99.43000 5.07421 2.50668 -98.55834 935.29591
880.0000 -103.21188 -97.07590 6.13598 2.47506 -98.95246 893.21280
885.0000 -102.45608 -96.89795 5.55812 2.56829 -97.79046 997.64041
890.0000 -102.90851 -96.85765 6.05087 2.60851 -97.28926 1034.20326
895.0000 -101.71660 -95.45123 6.26538 2.71825 -95.92150 1094.11175
900.0000 -101.17767 -94.89969 6.27799 2.80018 -94.90031 1186.64260
905.0000 -101.24206 -95.49816 5.74390 2.76295 -95.36442 1091.56644
910.0000 -102.57301 -95.53092 7.04209 2.77929 -95.16072 1146.16420
915.0000 -103.15641 -97.39159 5.76482 2.76711 -95.31257 1092.08241
920.0000 -103.84905 -98.61659 5.23246 2.58530 -97.57846 978.36040
925.0000 -103.64763 -97.92964 5.71799 2.51862 -98.40953 934.16166
930.0000 -103.23241 -97.68146 5.55095 2.59444 -97.46453 967.81819
935.0000 -105.11040 -99.64860 5.46180 2.49769 -98.67044 918.53896
940.0000 -104.03937 -98.92121 5.11816 2.47553 -98.94654 889.61192
945.0000 -102.96470 -98.06210 4.90260 2.53536 -98.20093 931.66795
950.0000 -104.45587 -99.64491 4.81097 2.48335 -98.84908 882.33345
955.0000 -104.13836 -98.64885 5.48951 2.41183 -99.74045 867.95069
960.0000 -102.13694 -96.96612 5.17082 2.55754 -97.92441 966.25979
965.0000 -103.43326 -97.22714 6.20612 2.59487 -97.45921 991.28484
970.0000 -103.78937 -99.58234 4.20704 2.52527 -98.32669 942.17747
975.0000 -103.37664 -98.35008 5.02656 2.49070 -98.75750 911.53318
980.0000 -103.12383 -97.72313 5.40071 2.53249 -98.23667 940.53444
985.0000 -103.47317 -98.16660 5.30657 2.52396 -98.34295 904.69077
990.0000 -104.41244 -99.57524 4.83720 2.52158 -98.37269 918.66698
995.0000 -103.62388 -97.99387 5.63000 2.53243 -98.23738 946.19308
1000.0000 -102.96765 -97.96999 4.99766 2.52376 -98.34547 945.05019
FREEZING PROCESS: loop number 5 T-loop= 950.00000000000000
main_MD> interactions number 5 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.18007 -9.06999 -3.29541
force_rgl> df(natom) 5.40529 -2.90879 -5.67497
1005.0000 -103.10582 -97.84078 5.26504 2.54583 -98.07037 957.56329
1010.0000 -103.28731 -98.17856 5.10876 2.53544 -98.19993 969.87096
1015.0000 -103.23826 -97.16477 6.07349 2.53230 -98.23909 932.58572
1020.0000 -102.66841 -97.33634 5.33208 2.54294 -98.10646 954.55366
1025.0000 -101.71833 -96.04834 5.67000 2.58382 -97.59696 935.24414
1030.0000 -102.61163 -97.41670 5.19492 2.64231 -96.86791 983.54711
1035.0000 -102.58262 -97.04784 5.53478 2.61992 -97.14694 1009.87873
1040.0000 -102.09768 -96.03987 6.05781 2.67997 -96.39859 1057.31264
1045.0000 -102.71776 -96.86788 5.84988 2.69144 -96.25568 1059.22469
1050.0000 -102.91251 -97.28161 5.63090 2.68043 -96.39288 1065.65053
1055.0000 -104.09876 -98.64706 5.45170 2.51010 -98.51573 926.55359
1060.0000 -102.50156 -97.16524 5.33631 2.59944 -97.40222 996.00710
1065.0000 -104.03166 -98.42551 5.60615 2.54958 -98.02373 957.24485
1070.0000 -104.29154 -98.10132 6.19022 2.52839 -98.28773 964.50171
1075.0000 -102.59830 -98.32818 4.27012 2.52583 -98.31972 973.38817
1080.0000 -102.66438 -97.49185 5.17253 2.58585 -97.57158 994.74420
1085.0000 -104.60079 -97.90072 6.70007 2.59451 -97.46371 977.13513
1090.0000 -102.88386 -96.99631 5.88755 2.56541 -97.82635 991.07081
1095.0000 -104.98957 -98.45023 6.53934 2.54212 -98.11659 966.62302
1100.0000 -104.37319 -98.32436 6.04883 2.46521 -99.07522 908.75940
1105.0000 -104.21758 -98.86086 5.35672 2.46978 -99.01819 911.24987
1110.0000 -102.44298 -96.64409 5.79889 2.57193 -97.74514 979.79013
1115.0000 -104.50237 -97.96472 6.53765 2.62604 -97.07074 1005.25168
1120.0000 -104.20390 -98.67887 5.52503 2.55271 -97.98469 934.33187
1125.0000 -102.65712 -97.34024 5.31688 2.55720 -97.92867 992.10714
1130.0000 -103.38388 -97.98936 5.39453 2.61400 -97.22083 1012.06952
1135.0000 -103.10908 -98.45679 4.65229 2.52375 -98.34559 942.04250
1140.0000 -104.69642 -100.67244 4.02398 2.46619 -99.06293 886.63926
1145.0000 -104.67542 -99.10815 5.56726 2.40285 -99.85246 865.09144
1150.0000 -105.26606 -99.59350 5.67255 2.42641 -99.55872 901.51561
1155.0000 -104.15320 -98.93907 5.21413 2.36341 -100.34393 834.10491
1160.0000 -103.18334 -98.34736 4.83597 2.47271 -98.98178 901.45550
1165.0000 -103.91032 -98.49482 5.41550 2.47869 -98.90719 927.90058
1170.0000 -104.23151 -97.61774 6.61377 2.56903 -97.78123 950.37416
1175.0000 -102.11240 -96.86295 5.24945 2.59618 -97.44282 975.68194
1180.0000 -103.68734 -98.21804 5.46930 2.55976 -97.89684 995.22272
1185.0000 -103.92778 -97.53272 6.39506 2.52641 -98.31248 969.97072
1190.0000 -103.44449 -96.98519 6.45930 2.60659 -97.31311 1043.67462
1195.0000 -103.27696 -98.63520 4.64177 2.58404 -97.59416 990.67957
1200.0000 -102.31664 -96.91445 5.40219 2.59424 -97.46706 990.69491
1205.0000 -102.14599 -96.59149 5.55450 2.63787 -96.92328 1017.48922
1210.0000 -104.11382 -97.45150 6.66232 2.62236 -97.11659 1006.64333
1215.0000 -102.62881 -95.94587 6.68294 2.60946 -97.27731 961.73000
1220.0000 -104.29665 -99.26208 5.03457 2.53978 -98.14577 946.39789
1225.0000 -104.37848 -98.71588 5.66260 2.48624 -98.81315 933.64890
1230.0000 -102.82767 -96.98839 5.83928 2.54506 -98.08003 915.05215
1235.0000 -103.30846 -97.69368 5.61478 2.58574 -97.57305 964.54699
1240.0000 -103.79621 -98.14085 5.65536 2.54229 -98.11452 920.76242
1245.0000 -103.54186 -96.72516 6.81670 2.64665 -96.81385 1044.75919
1250.0000 -103.16216 -97.84667 5.31549 2.57443 -97.71389 928.17199
FREEZING PROCESS: loop number 6 T-loop= 925.00000000000000
main_MD> interactions number 6 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62780 -4.09277 -7.86218
force_rgl> df(natom) -2.58624 1.60869 -1.15353
1255.0000 -102.90209 -97.28631 5.61579 2.54004 -98.14259 922.03668
1260.0000 -104.59731 -98.76363 5.83368 2.54271 -98.10923 955.61516
1265.0000 -104.83789 -99.72432 5.11357 2.39061 -100.00492 846.71424
1270.0000 -103.51791 -98.32914 5.18877 2.46750 -99.04661 884.23312
1275.0000 -104.31844 -98.32077 5.99767 2.56601 -97.81885 985.68594
1280.0000 -102.17136 -98.17435 3.99701 2.56689 -97.80798 969.10085
1285.0000 -103.50811 -97.53062 5.97749 2.64121 -96.88165 1004.41502
1290.0000 -104.86234 -98.51628 6.34606 2.58634 -97.56546 1021.18310
1295.0000 -105.11023 -99.69696 5.41327 2.44403 -99.33917 919.80242
1300.0000 -103.40772 -98.49734 4.91038 2.50539 -98.57447 912.67276
1305.0000 -103.98993 -98.08905 5.90088 2.50673 -98.55770 923.33485
1310.0000 -103.47315 -98.55554 4.91761 2.54255 -98.11132 936.47420
1315.0000 -103.62257 -98.55981 5.06276 2.54501 -98.08061 973.02297
1320.0000 -103.86568 -97.89764 5.96803 2.50765 -98.54632 925.49374
1325.0000 -104.12862 -99.23047 4.89815 2.52646 -98.31177 900.17514
1330.0000 -104.20294 -99.45814 4.74479 2.45495 -99.20302 846.91936
1335.0000 -103.33980 -98.51855 4.82125 2.53077 -98.25808 913.97921
1340.0000 -103.74637 -96.53503 7.21133 2.57889 -97.65833 967.07944
1345.0000 -104.56455 -99.12875 5.43580 2.55566 -97.94787 945.52163
1350.0000 -103.69133 -98.23140 5.45993 2.48464 -98.83300 919.12526
1355.0000 -104.17793 -99.34053 4.83740 2.47700 -98.92826 908.10448
1360.0000 -104.61709 -99.04158 5.57551 2.48330 -98.84978 909.95092
1365.0000 -103.63194 -99.18893 4.44301 2.45053 -99.25812 921.48984
1370.0000 -103.32183 -97.66135 5.66048 2.53040 -98.26277 937.50426
1375.0000 -104.32755 -99.00418 5.32337 2.52058 -98.38505 920.93998
1380.0000 -103.13900 -98.47820 4.66081 2.50544 -98.57384 932.69583
1385.0000 -103.90348 -97.96962 5.93387 2.53358 -98.22304 918.79857
1390.0000 -103.80126 -98.86873 4.93253 2.47891 -98.90450 923.37822
1395.0000 -102.87459 -98.37527 4.49932 2.50380 -98.59422 927.85370
1400.0000 -102.27849 -97.15623 5.12226 2.61593 -97.19674 1022.37923
1405.0000 -103.58327 -98.12528 5.45799 2.60326 -97.35467 1013.71516
1410.0000 -104.63384 -99.01296 5.62088 2.51709 -98.42857 924.94860
1415.0000 -103.67026 -97.90280 5.76746 2.55709 -97.93005 972.95261
1420.0000 -104.34954 -97.65057 6.69897 2.56004 -97.89329 972.37235
1425.0000 -105.59216 -100.82324 4.76892 2.34061 -100.62816 786.50183
1430.0000 -104.34855 -100.29894 4.04961 2.36745 -100.29362 853.50278
1435.0000 -103.18977 -98.30325 4.88652 2.46692 -99.05385 883.56625
1440.0000 -104.71218 -99.75635 4.95582 2.45777 -99.16794 879.98014
1445.0000 -103.84500 -97.90652 5.93848 2.52616 -98.31557 963.16758
1450.0000 -104.86391 -98.37327 6.49065 2.51037 -98.51232 930.17740
1455.0000 -103.05729 -97.29872 5.75857 2.54366 -98.09741 976.21490
1460.0000 -102.96150 -97.20922 5.75227 2.59561 -97.45001 990.34801
1465.0000 -103.01291 -97.67519 5.33771 2.59813 -97.41856 986.80335
1470.0000 -103.28804 -97.30101 5.98703 2.56052 -97.88729 922.78869
1475.0000 -102.24519 -97.10800 5.13719 2.59285 -97.48443 980.72677
1480.0000 -103.02847 -97.48160 5.54687 2.60113 -97.38117 997.81850
1485.0000 -103.11384 -96.98212 6.13171 2.55233 -97.98943 929.18030
1490.0000 -103.42419 -98.34092 5.08327 2.59689 -97.43405 979.49993
1495.0000 -103.76821 -99.14100 4.62721 2.50391 -98.59291 931.69132
1500.0000 -104.65252 -98.92860 5.72392 2.41716 -99.67406 844.49208
FREEZING PROCESS: loop number 7 T-loop= 900.00000000000000
main_MD> interactions number 7 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47260 4.32210 4.70858
force_rgl> df(natom) 2.25636 -1.59523 -0.19643
1505.0000 -105.00426 -99.91586 5.08840 2.41514 -99.69926 871.43502
1510.0000 -105.18249 -100.83769 4.34480 2.40082 -99.87776 825.09719
1515.0000 -102.24479 -96.35415 5.89064 2.52246 -98.36163 913.71387
1520.0000 -103.82902 -97.67328 6.15574 2.65606 -96.69659 990.99253
1525.0000 -103.84629 -98.78605 5.06024 2.51815 -98.41538 910.82283
1530.0000 -103.26867 -97.30055 5.96813 2.57625 -97.69123 978.15261
1535.0000 -104.11810 -98.06693 6.05118 2.58488 -97.58368 992.22702
1540.0000 -104.62020 -99.53564 5.08455 2.47033 -99.01140 897.03119
1545.0000 -105.12153 -99.23050 5.89103 2.45634 -99.18581 889.89559
1550.0000 -104.73079 -97.92562 6.80517 2.51764 -98.42174 947.21977
1555.0000 -102.38842 -95.50806 6.88036 2.60987 -97.27220 986.90316
1560.0000 -101.76007 -96.23371 5.52636 2.74226 -95.62229 1155.03519
1565.0000 -105.35991 -99.68708 5.67283 2.53877 -98.15846 976.73509
1570.0000 -104.72394 -99.37930 5.34464 2.36676 -100.30221 861.14077
1575.0000 -103.29201 -99.06919 4.22282 2.44691 -99.30328 876.41786
1580.0000 -103.93545 -98.55079 5.38466 2.47870 -98.90702 921.39695
1585.0000 -104.55976 -99.96214 4.59762 2.45457 -99.20780 898.99469
1590.0000 -103.92611 -98.16110 5.76501 2.45483 -99.20460 881.10226
1595.0000 -103.02977 -96.58370 6.44607 2.62517 -97.08156 1054.42544
1600.0000 -103.75355 -98.20947 5.54408 2.59315 -97.48063 1005.30132
1605.0000 -103.84511 -98.84035 5.00476 2.49190 -98.74257 936.73939
1610.0000 -103.91092 -98.91681 4.99412 2.46362 -99.09508 889.30034
1615.0000 -105.30172 -100.54106 4.76066 2.44869 -99.28114 876.33572
1620.0000 -104.83799 -99.87213 4.96586 2.36163 -100.36615 816.98104
1625.0000 -104.40612 -99.33934 5.06678 2.43015 -99.51217 871.14440
1630.0000 -104.34744 -99.10899 5.23845 2.44109 -99.37585 830.14156
1635.0000 -103.93387 -99.79700 4.13687 2.45250 -99.23356 878.97509
1640.0000 -102.86920 -98.43949 4.42972 2.49069 -98.75768 894.82967
1645.0000 -104.17017 -99.61035 4.55982 2.49004 -98.76578 910.59705
1650.0000 -104.64407 -99.11929 5.52478 2.50223 -98.61386 900.74442
1655.0000 -102.49681 -96.76232 5.73449 2.55662 -97.93598 944.40566
1660.0000 -102.88967 -98.50857 4.38109 2.57361 -97.72417 967.07071
1665.0000 -104.72355 -99.51090 5.21265 2.52436 -98.33799 930.34206
1670.0000 -104.94178 -99.66129 5.28048 2.40236 -99.85852 884.21553
1675.0000 -104.02037 -98.33710 5.68327 2.46960 -99.02046 915.65190
1680.0000 -103.42555 -98.16210 5.26345 2.46395 -99.09093 887.16936
1685.0000 -103.84326 -98.61218 5.23108 2.52341 -98.34987 947.66054
1690.0000 -103.80570 -98.62648 5.17921 2.49559 -98.69657 939.28776
1695.0000 -104.16221 -99.27192 4.89030 2.44159 -99.36964 873.06884
1700.0000 -102.32417 -98.42295 3.90122 2.53934 -98.15135 939.70747
1705.0000 -103.97133 -99.93180 4.03953 2.43467 -99.45579 894.10659
1710.0000 -105.82846 -99.58882 6.23965 2.41898 -99.65139 856.90056
1715.0000 -103.99902 -98.05175 5.94728 2.49492 -98.70492 939.50431
1720.0000 -102.73709 -97.95156 4.78552 2.56023 -97.89091 946.84853
1725.0000 -102.95383 -97.44576 5.50807 2.52767 -98.29679 937.91638
1730.0000 -104.63181 -100.03784 4.59397 2.51435 -98.46274 928.94588
1735.0000 -102.80343 -97.11435 5.68908 2.50466 -98.58355 877.90089
1740.0000 -103.81128 -99.40377 4.40751 2.55017 -98.01633 1009.72356
1745.0000 -104.18495 -99.36933 4.81563 2.47791 -98.91695 937.76131
1750.0000 -105.09309 -100.52951 4.56359 2.41986 -99.64037 885.28039
FREEZING PROCESS: loop number 8 T-loop= 875.00000000000000
main_MD> interactions number 8 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31916 -1.50258 1.45595
force_rgl> df(natom) 0.17819 -1.28261 -0.83731
1755.0000 -104.47030 -99.47947 4.99083 2.37575 -100.19013 857.76086
1760.0000 -103.81710 -99.56178 4.25533 2.44856 -99.28274 910.29491
1765.0000 -104.27647 -99.85739 4.41908 2.42456 -99.58185 871.55410
1770.0000 -105.51594 -100.99623 4.51971 2.35579 -100.43893 789.95444
1775.0000 -104.41917 -98.96573 5.45344 2.42326 -99.59810 869.09968
1780.0000 -105.25743 -99.30230 5.95513 2.48860 -98.78364 910.16527
1785.0000 -105.17406 -99.76188 5.41218 2.41990 -99.63995 873.18884
1790.0000 -104.00806 -100.04295 3.96511 2.42069 -99.63004 894.50749
1795.0000 -104.91912 -100.75400 4.16512 2.34339 -100.59349 791.05795
1800.0000 -104.61724 -100.39977 4.21747 2.34117 -100.62119 816.24282
1805.0000 -105.13843 -99.88151 5.25692 2.35006 -100.51031 801.26905
1810.0000 -104.15689 -99.54855 4.60834 2.42217 -99.61157 863.11864
1815.0000 -103.87275 -98.07864 5.79411 2.47681 -98.93061 881.21634
1820.0000 -103.42278 -98.26642 5.15637 2.51900 -98.40485 970.69118
1825.0000 -104.30149 -100.16666 4.13483 2.44420 -99.33704 908.07556
1830.0000 -104.69592 -99.38965 5.30628 2.42758 -99.54422 885.78109
1835.0000 -104.96145 -99.58648 5.37497 2.41779 -99.66617 869.43584
1840.0000 -104.29029 -98.51962 5.77067 2.47553 -98.94652 925.60248
1845.0000 -104.73519 -100.64857 4.08662 2.40533 -99.82152 857.92839
1850.0000 -104.52384 -100.22022 4.30362 2.36079 -100.37668 798.34145
1855.0000 -104.64191 -99.60691 5.03499 2.37929 -100.14608 830.81151
1860.0000 -103.20122 -98.88296 4.31826 2.47140 -98.99805 897.02802
1865.0000 -104.41078 -97.49604 6.91473 2.51469 -98.45845 937.36502
1870.0000 -105.44272 -100.58031 4.86242 2.48444 -98.83555 971.57529
1875.0000 -105.36699 -100.16095 5.20604 2.37826 -100.15884 831.19285
1880.0000 -105.75449 -101.79019 3.96430 2.34214 -100.60910 796.26444
1885.0000 -104.36181 -99.90359 4.45822 2.37011 -100.26046 822.66891
1890.0000 -105.10885 -100.06657 5.04228 2.37368 -100.21601 843.66067
1895.0000 -105.10167 -100.67616 4.42551 2.39068 -100.00408 851.49247
1900.0000 -103.91887 -98.50069 5.41818 2.40259 -99.85564 865.89186
1905.0000 -103.70898 -98.40552 5.30346 2.48925 -98.77554 886.76710
1910.0000 -105.16648 -99.92196 5.24451 2.43645 -99.43370 910.50644
1915.0000 -105.37906 -100.57475 4.80431 2.35916 -100.39688 809.60394
1920.0000 -104.82730 -100.36429 4.46301 2.35071 -100.50219 829.02941
1925.0000 -104.71997 -99.76292 4.95706 2.43439 -99.45937 880.84320
1930.0000 -102.83802 -97.95458 4.88344 2.43770 -99.41811 883.36726
1935.0000 -104.68751 -99.35508 5.33243 2.50829 -98.53824 968.51765
1940.0000 -103.92273 -99.15759 4.76514 2.44958 -99.27002 911.60042
1945.0000 -104.57072 -99.49088 5.07984 2.47412 -98.96419 890.94333
1950.0000 -105.60265 -99.65009 5.95256 2.38601 -100.06226 821.02002
1955.0000 -103.24678 -97.88933 5.35745 2.51087 -98.50606 904.14239
1960.0000 -103.80393 -98.50275 5.30118 2.51014 -98.51520 927.45136
1965.0000 -104.31036 -98.73533 5.57502 2.48795 -98.79179 911.06813
1970.0000 -104.85522 -100.31614 4.53909 2.45890 -99.15388 894.25322
1975.0000 -103.03638 -99.00050 4.03588 2.47268 -98.98215 913.31166
1980.0000 -104.80885 -99.43838 5.37047 2.43649 -99.43309 877.74615
1985.0000 -104.08494 -99.95215 4.13279 2.42295 -99.60185 873.79526
1990.0000 -104.82537 -100.70441 4.12096 2.40652 -99.80670 829.27898
1995.0000 -105.49472 -101.77422 3.72050 2.26839 -101.52826 759.12427
2000.0000 -105.23393 -101.56772 3.66622 2.27349 -101.46464 725.87233
FREEZING PROCESS: loop number 9 T-loop= 850.00000000000000
main_MD> interactions number 9 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73582 -0.09247 -1.09753
force_rgl> df(natom) -4.54446 -5.88985 1.68664
2005.0000 -104.82558 -100.45375 4.37184 2.34008 -100.63469 811.60414
2010.0000 -103.75326 -98.37777 5.37549 2.45479 -99.20507 874.38681
2015.0000 -103.50543 -98.02610 5.47932 2.54090 -98.13189 961.40733
2020.0000 -103.82594 -98.99941 4.82653 2.49262 -98.73354 897.63365
2025.0000 -105.10804 -99.98642 5.12162 2.42665 -99.55582 843.90568
2030.0000 -105.85922 -100.66914 5.19008 2.37702 -100.17441 867.81689
2035.0000 -105.08168 -100.16993 4.91175 2.35367 -100.46531 826.94998
2040.0000 -105.77093 -101.79389 3.97704 2.32490 -100.82391 813.08475
2045.0000 -104.73473 -100.72023 4.01450 2.29710 -101.17041 731.97403
2050.0000 -104.57666 -99.93546 4.64119 2.39342 -99.96993 844.06302
2055.0000 -105.06719 -99.87667 5.19052 2.34650 -100.55467 800.69256
2060.0000 -104.88657 -99.19388 5.69269 2.40436 -99.83361 865.00451
2065.0000 -104.83007 -100.10215 4.72792 2.40972 -99.76679 879.47956
2070.0000 -104.95284 -100.00576 4.94708 2.40286 -99.85226 860.83005
2075.0000 -105.92142 -101.23189 4.68953 2.32966 -100.76464 787.40565
2080.0000 -104.60724 -99.66360 4.94365 2.34385 -100.58779 812.71711
2085.0000 -104.33142 -98.65162 5.67980 2.44895 -99.27786 911.99542
2090.0000 -104.92343 -100.42037 4.50305 2.37508 -100.19854 829.95764
2095.0000 -104.25775 -99.87238 4.38537 2.34756 -100.54154 792.23560
2100.0000 -104.55365 -99.37075 5.18290 2.41889 -99.65256 883.24451
2105.0000 -104.58890 -99.08298 5.50592 2.41197 -99.73872 845.58656
2110.0000 -105.25583 -99.89162 5.36422 2.44794 -99.29046 834.70567
2115.0000 -105.62418 -99.79317 5.83100 2.35152 -100.49221 831.26678
2120.0000 -103.70306 -98.76719 4.93587 2.45364 -99.21943 897.42486
2125.0000 -104.19089 -98.37362 5.81726 2.50991 -98.51815 886.54764
2130.0000 -103.71247 -99.50703 4.20544 2.40271 -99.85419 864.58261
2135.0000 -104.39723 -99.61359 4.78363 2.41292 -99.72695 830.02412
2140.0000 -105.14817 -100.27065 4.87752 2.38626 -100.05920 835.47408
2145.0000 -104.93982 -100.23348 4.70634 2.35545 -100.44313 801.92026
2150.0000 -105.60630 -100.24528 5.36101 2.40912 -99.77425 891.37013
2155.0000 -104.93400 -100.00069 4.93331 2.37350 -100.21819 831.49230
2160.0000 -106.18389 -101.46094 4.72296 2.31669 -100.92630 769.35061
2165.0000 -105.23820 -100.40972 4.82848 2.34392 -100.58684 789.94627
2170.0000 -105.04766 -100.01310 5.03456 2.41719 -99.67364 865.10584
2175.0000 -104.93891 -101.36904 3.56987 2.32821 -100.78271 758.92624
2180.0000 -104.49957 -100.16527 4.33430 2.39466 -99.95447 847.81319
2185.0000 -104.04625 -98.77317 5.27308 2.42212 -99.61228 837.91463
2190.0000 -105.60295 -99.96085 5.64210 2.50058 -98.63433 896.19900
2195.0000 -104.33988 -99.72200 4.61788 2.41289 -99.72730 848.48987
2200.0000 -104.60643 -98.96211 5.64432 2.41757 -99.66901 863.02532
2205.0000 -104.65080 -100.23306 4.41775 2.38970 -100.01635 880.50168
2210.0000 -106.07099 -101.55312 4.51786 2.33496 -100.69854 793.55332
2215.0000 -105.35431 -101.09427 4.26004 2.34003 -100.63534 824.92966
2220.0000 -106.05278 -101.56206 4.49072 2.31382 -100.96199 787.61307
2225.0000 -105.87162 -100.24280 5.62882 2.36728 -100.29578 832.52298
2230.0000 -104.53372 -99.38460 5.14912 2.35365 -100.46562 845.44008
2235.0000 -104.51695 -98.55761 5.95934 2.44541 -99.32193 896.81199
2240.0000 -104.45823 -99.33225 5.12598 2.46883 -99.03003 926.55046
2245.0000 -103.17361 -98.53078 4.64283 2.45356 -99.22038 908.26152
2250.0000 -104.40508 -99.75200 4.65308 2.43825 -99.41117 868.73115
FREEZING PROCESS: loop number 10 T-loop= 825.00000000000000
main_MD> interactions number 10 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57011 -0.67780 3.53203
force_rgl> df(natom) 4.78667 1.31157 0.28008
2255.0000 -105.52562 -100.98915 4.53647 2.34370 -100.58968 792.62271
2260.0000 -105.36282 -100.82790 4.53492 2.32048 -100.87902 789.15373
2265.0000 -104.79598 -100.32726 4.46872 2.40342 -99.84537 825.54575
2270.0000 -104.77137 -100.20972 4.56164 2.34695 -100.54912 793.14948
2275.0000 -103.12705 -99.07164 4.05541 2.42526 -99.57316 823.22862
2280.0000 -104.72002 -99.86237 4.85764 2.40026 -99.88466 835.40033
2285.0000 -105.30917 -99.86944 5.43973 2.40904 -99.77522 832.69074
2290.0000 -105.16275 -101.31878 3.84396 2.34031 -100.63191 781.30671
2295.0000 -103.52890 -99.13820 4.39070 2.34212 -100.60929 773.31602
2300.0000 -103.25516 -98.50261 4.75256 2.48663 -98.80828 870.17623
2305.0000 -104.16779 -98.65268 5.51511 2.46483 -99.07999 863.98241
2310.0000 -103.06316 -98.57047 4.49270 2.50193 -98.61750 911.54706
2315.0000 -103.27068 -98.97836 4.29232 2.55275 -97.98415 956.30554
2320.0000 -103.97032 -99.63027 4.34005 2.43119 -99.49917 871.47536
2325.0000 -104.34591 -99.83490 4.51101 2.39110 -99.99887 824.42374
2330.0000 -104.59141 -100.74455 3.84686 2.39253 -99.98106 814.59405
2335.0000 -103.84875 -99.33678 4.51198 2.39694 -99.92606 840.61733
2340.0000 -104.21621 -100.10195 4.11425 2.43660 -99.43172 852.44274
2345.0000 -105.17674 -101.01643 4.16031 2.35335 -100.46941 819.73892
2350.0000 -106.92030 -102.04337 4.87693 2.25360 -101.71257 746.65970
2355.0000 -105.62976 -100.35277 5.27699 2.28106 -101.37038 801.57127
2360.0000 -104.59682 -100.65367 3.94316 2.30009 -101.13321 770.18053
2365.0000 -105.02959 -100.02896 5.00063 2.40120 -99.87301 875.06413
2370.0000 -103.23618 -98.44433 4.79184 2.45978 -99.14283 871.53528
2375.0000 -104.55537 -99.32984 5.22553 2.44021 -99.38673 868.47226
2380.0000 -103.72539 -98.85698 4.86841 2.44652 -99.30811 899.43290
2385.0000 -104.87096 -99.55066 5.32030 2.44829 -99.28610 863.34552
2390.0000 -104.67979 -100.87624 3.80355 2.41337 -99.72128 843.88651
2395.0000 -104.95303 -100.07165 4.88139 2.29679 -101.17432 775.59285
2400.0000 -103.46360 -98.34767 5.11593 2.49645 -98.68585 922.90066
2405.0000 -104.40674 -99.50953 4.89721 2.48501 -98.82842 913.38948
2410.0000 -105.71137 -101.87321 3.83816 2.31716 -100.92036 782.61224
2415.0000 -105.43919 -101.14661 4.29258 2.21565 -102.18555 734.10990
2420.0000 -105.54100 -101.00582 4.53518 2.33340 -100.71796 788.10077
2425.0000 -104.93339 -100.25711 4.67629 2.40432 -99.83411 860.68340
2430.0000 -105.11733 -100.64680 4.47053 2.35037 -100.50649 795.80979
2435.0000 -104.86278 -100.42222 4.44056 2.33758 -100.66584 814.52427
2440.0000 -106.57825 -101.70624 4.87201 2.27240 -101.47831 767.05702
2445.0000 -105.15437 -99.65626 5.49812 2.30418 -101.08218 786.67435
2450.0000 -104.71883 -99.68782 5.03101 2.37699 -100.17467 826.76614
2455.0000 -104.60104 -100.21095 4.39009 2.40650 -99.80689 851.30065
2460.0000 -104.35003 -99.69722 4.65281 2.38076 -100.12772 784.18012
2465.0000 -104.92730 -100.02038 4.90692 2.42956 -99.51955 893.88559
2470.0000 -104.49464 -99.82442 4.67023 2.40545 -99.82000 854.47268
2475.0000 -106.43503 -101.28004 5.15499 2.37131 -100.24555 857.64298
2480.0000 -105.57482 -100.65952 4.91529 2.32595 -100.81086 777.50711
2485.0000 -105.28464 -101.04941 4.23523 2.32395 -100.83575 763.21304
2490.0000 -106.03457 -100.70594 5.32864 2.33286 -100.72469 824.41574
2495.0000 -104.54425 -99.98472 4.55953 2.36265 -100.35347 846.69364
2500.0000 -104.48082 -100.04912 4.43170 2.43873 -99.40519 882.25950
FREEZING PROCESS: loop number 11 T-loop= 800.00000000000000
main_MD> interactions number 11 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.73014 -5.87469 -4.73704
force_rgl> df(natom) 0.78993 -2.66954 -2.18917
2505.0000 -105.75509 -101.37557 4.37952 2.35554 -100.44204 802.76584
2510.0000 -105.22001 -100.57717 4.64284 2.32409 -100.83406 800.33263
2515.0000 -104.65334 -100.85871 3.79463 2.32485 -100.82454 785.67302
2520.0000 -105.70185 -100.55377 5.14808 2.33091 -100.74908 780.92576
2525.0000 -105.84817 -101.08612 4.76205 2.34790 -100.53731 804.57140
2530.0000 -105.03618 -101.31352 3.72266 2.29860 -101.15167 781.11752
2535.0000 -104.73811 -100.33569 4.40242 2.32443 -100.82984 784.72325
2540.0000 -104.12875 -98.75333 5.37542 2.45738 -99.17278 915.91194
2545.0000 -105.29536 -100.44078 4.85459 2.45161 -99.24465 917.22563
2550.0000 -104.93364 -100.78629 4.14736 2.31555 -100.94051 783.48859
2555.0000 -103.97215 -100.20501 3.76715 2.32217 -100.85794 747.77713
2560.0000 -106.02669 -100.38878 5.63791 2.33458 -100.70328 781.86479
2565.0000 -105.30274 -100.65162 4.65112 2.30580 -101.06204 790.33716
2570.0000 -106.70827 -101.87591 4.83236 2.27239 -101.47844 733.97884
2575.0000 -105.20489 -101.76655 3.43834 2.27731 -101.41712 784.59134
2580.0000 -104.75432 -99.34234 5.41198 2.33303 -100.72260 796.24743
2585.0000 -105.70193 -100.85558 4.84635 2.38316 -100.09787 829.35882
2590.0000 -105.09073 -99.76077 5.32995 2.36892 -100.27532 846.99889
2595.0000 -106.38644 -101.49250 4.89393 2.34164 -100.61530 804.37884
2600.0000 -105.83874 -101.13409 4.70465 2.34454 -100.57919 818.14082
2605.0000 -104.86238 -100.40447 4.45791 2.32733 -100.79371 796.29211
2610.0000 -106.60439 -102.41105 4.19334 2.27039 -101.50331 775.17069
2615.0000 -106.11149 -102.26264 3.84884 2.18893 -102.51857 702.15250
2620.0000 -106.01670 -101.45359 4.56310 2.22816 -102.02967 725.03059
2625.0000 -106.35642 -102.37773 3.97870 2.16685 -102.79381 698.97908
2630.0000 -106.20075 -102.33863 3.86212 2.22199 -102.10651 706.19481
2635.0000 -105.42053 -101.10107 4.31946 2.26839 -101.52826 747.35505
2640.0000 -106.50885 -101.16260 5.34625 2.27278 -101.47354 763.85914
2645.0000 -105.69425 -100.80198 4.89227 2.27524 -101.44292 772.16086
2650.0000 -104.80686 -100.84271 3.96415 2.29227 -101.23058 802.03983
2655.0000 -104.17942 -99.64662 4.53280 2.34207 -100.60992 802.38405
2660.0000 -104.60667 -100.07608 4.53059 2.37197 -100.23727 780.52888
2665.0000 -105.60940 -101.06957 4.53982 2.30328 -101.09337 772.00046
2670.0000 -104.91587 -100.41411 4.50177 2.35985 -100.38829 826.07458
2675.0000 -105.31453 -100.66467 4.64987 2.34109 -100.62212 810.98248
2680.0000 -104.61244 -100.66004 3.95240 2.32946 -100.76706 776.44762
2685.0000 -106.42078 -101.52702 4.89376 2.30494 -101.07275 798.19428
2690.0000 -105.28765 -100.55238 4.73527 2.26355 -101.58862 736.64223
2695.0000 -105.53117 -100.50598 5.02519 2.36510 -100.32291 850.06350
2700.0000 -105.07664 -100.69630 4.38033 2.35125 -100.49555 821.28688
2705.0000 -106.24299 -102.00790 4.23509 2.26551 -101.56416 762.52378
2710.0000 -104.99032 -100.60391 4.38641 2.29172 -101.23750 770.25420
2715.0000 -106.48696 -100.71291 5.77405 2.30454 -101.07775 791.43355
2720.0000 -105.57021 -100.86580 4.70442 2.32286 -100.84931 780.11569
2725.0000 -104.73169 -100.61155 4.12014 2.37793 -100.16298 815.99492
2730.0000 -106.12712 -100.45003 5.67709 2.30101 -101.12167 767.83309
2735.0000 -105.68983 -101.61543 4.07440 2.36884 -100.27624 829.90992
2740.0000 -105.56500 -101.39098 4.17403 2.21277 -102.22144 665.66188
2745.0000 -105.50819 -100.98947 4.51872 2.32132 -100.86862 789.02649
2750.0000 -106.08944 -101.86605 4.22338 2.23544 -101.93893 718.45515
FREEZING PROCESS: loop number 12 T-loop= 775.00000000000000
main_MD> interactions number 12 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76475 0.15508 1.19636
force_rgl> df(natom) 0.56800 -0.32484 0.40633
2755.0000 -106.03766 -101.85900 4.17866 2.26441 -101.57785 730.62313
2760.0000 -106.33108 -102.32712 4.00396 2.22347 -102.08810 730.34896
2765.0000 -105.55269 -101.95373 3.59896 2.25372 -101.71105 748.67156
2770.0000 -105.09879 -101.17977 3.91902 2.30785 -101.03640 771.99137
2775.0000 -106.59608 -102.05402 4.54205 2.26035 -101.62848 745.53937
2780.0000 -105.97611 -101.34261 4.63351 2.24318 -101.84248 726.46948
2785.0000 -104.55923 -99.65597 4.90325 2.32656 -100.80326 792.15214
2790.0000 -104.29368 -100.64360 3.65008 2.42458 -99.58158 830.18314
2795.0000 -104.63030 -100.52802 4.10228 2.34177 -100.61369 795.52557
2800.0000 -105.20124 -100.96037 4.24087 2.36838 -100.28207 788.34384
2805.0000 -105.67024 -101.30960 4.36064 2.30622 -101.05670 790.68409
2810.0000 -105.56609 -100.71731 4.84877 2.28834 -101.27955 737.19296
2815.0000 -105.03872 -100.56119 4.47752 2.37573 -100.19040 798.50805
2820.0000 -105.70670 -100.70294 5.00376 2.40147 -99.86959 865.93601
2825.0000 -103.55947 -100.19033 3.36914 2.36237 -100.35697 789.41960
2830.0000 -104.93168 -99.40520 5.52648 2.46387 -99.09192 893.52779
2835.0000 -104.85089 -99.14928 5.70161 2.41599 -99.68862 845.10158
2840.0000 -104.84942 -100.07835 4.77107 2.43363 -99.46878 881.74873
2845.0000 -104.51876 -100.32850 4.19026 2.37441 -100.20690 814.54354
2850.0000 -105.31201 -101.60077 3.71124 2.28589 -101.31011 751.58593
2855.0000 -105.52189 -101.16988 4.35201 2.32156 -100.86562 801.49860
2860.0000 -105.92371 -101.75162 4.17209 2.23788 -101.90855 722.72078
2865.0000 -106.30437 -101.72666 4.57771 2.26615 -101.55621 738.62944
2870.0000 -105.86147 -101.69619 4.16528 2.22324 -102.09098 708.62729
2875.0000 -105.46058 -101.54726 3.91332 2.29984 -101.13625 748.94914
2880.0000 -105.05293 -100.91294 4.13999 2.28492 -101.32218 725.27517
2885.0000 -104.89549 -100.08520 4.81030 2.31600 -100.93480 775.14786
2890.0000 -104.99160 -99.77305 5.21855 2.35489 -100.45018 807.11368
2895.0000 -105.06114 -100.99928 4.06186 2.38682 -100.05215 857.41556
2900.0000 -105.95522 -101.57723 4.37799 2.29751 -101.16528 779.87061
2905.0000 -105.89911 -101.74846 4.15065 2.27566 -101.43769 755.69259
2910.0000 -104.97025 -99.69413 5.27612 2.29799 -101.15939 766.58599
2915.0000 -106.32760 -101.31986 5.00774 2.36065 -100.37841 826.00139
2920.0000 -105.17978 -101.38118 3.79861 2.27348 -101.46481 755.17227
2925.0000 -105.67229 -101.33296 4.33933 2.28941 -101.26623 779.89738
2930.0000 -105.96076 -101.78111 4.17965 2.28991 -101.26005 733.46630
2935.0000 -105.03174 -101.13549 3.89625 2.29183 -101.23613 760.54742
2940.0000 -106.36531 -101.52947 4.83584 2.24259 -101.84977 710.52359
2945.0000 -105.60022 -102.19066 3.40956 2.24608 -101.80632 696.74365
2950.0000 -105.25942 -101.60313 3.65629 2.27211 -101.48193 726.77538
2955.0000 -106.33363 -102.01047 4.32316 2.25172 -101.73596 742.53430
2960.0000 -106.72227 -101.93560 4.78668 2.20634 -102.30156 698.93454
2965.0000 -105.45218 -101.22208 4.23010 2.26163 -101.61249 735.23108
2970.0000 -104.89547 -100.69161 4.20386 2.34350 -100.59217 798.85043
2975.0000 -105.63379 -100.82399 4.80981 2.33566 -100.68977 777.02813
2980.0000 -106.40990 -101.05634 5.35356 2.29178 -101.23670 781.87370
2985.0000 -104.79320 -100.19543 4.59777 2.29936 -101.14222 773.73649
2990.0000 -104.16182 -99.86210 4.29972 2.38878 -100.02772 850.02982
2995.0000 -104.89923 -99.51680 5.38243 2.38223 -100.10945 826.17111
3000.0000 -104.43303 -100.08060 4.35243 2.40196 -99.86353 852.73707
FREEZING PROCESS: loop number 13 T-loop= 750.00000000000000
main_MD> interactions number 13 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88511 -1.50140 -1.26825
force_rgl> df(natom) -9.27037 -3.60903 -4.86455
3005.0000 -105.73560 -101.72709 4.00851 2.32687 -100.79933 751.84117
3010.0000 -106.07437 -101.36446 4.70991 2.30359 -101.08955 795.84939
3015.0000 -106.35333 -102.39473 3.95860 2.22093 -102.11979 710.81709
3020.0000 -107.14436 -102.76866 4.37570 2.16124 -102.86372 666.32860
3025.0000 -106.50410 -102.22013 4.28396 2.24094 -101.87038 772.10116
3030.0000 -104.53490 -100.35261 4.18229 2.29384 -101.21100 787.78493
3035.0000 -105.07445 -100.58504 4.48941 2.40053 -99.88137 852.38381
3040.0000 -105.21547 -101.04694 4.16853 2.31159 -100.98980 792.79055
3045.0000 -105.05568 -100.60701 4.44866 2.37113 -100.24773 801.06060
3050.0000 -105.70839 -101.50962 4.19876 2.34608 -100.55997 764.01049
3055.0000 -105.61498 -100.89108 4.72391 2.31679 -100.92502 794.16118
3060.0000 -105.25936 -101.44541 3.81396 2.29664 -101.17620 791.96704
3065.0000 -106.01169 -101.53859 4.47309 2.27018 -101.50592 767.76398
3070.0000 -105.77394 -101.86808 3.90586 2.22215 -102.10455 720.66804
3075.0000 -106.14767 -102.11889 4.02877 2.24891 -101.77103 733.19049
3080.0000 -106.47964 -102.52474 3.95491 2.17063 -102.74667 666.02547
3085.0000 -106.30061 -102.11690 4.18371 2.18845 -102.52451 691.24798
3090.0000 -105.49458 -101.41118 4.08340 2.23247 -101.97595 719.66940
3095.0000 -104.94444 -101.07696 3.86748 2.28523 -101.31832 769.56502
3100.0000 -105.55012 -101.11441 4.43571 2.28870 -101.27511 738.68436
3105.0000 -105.70049 -100.72311 4.97738 2.34382 -100.58815 771.30177
3110.0000 -105.37373 -101.66660 3.70713 2.31740 -100.91736 781.82279
3115.0000 -106.65969 -102.28764 4.37206 2.20560 -102.31087 671.83729
3120.0000 -104.98741 -100.57287 4.41454 2.30080 -101.12430 764.39304
3125.0000 -105.27998 -101.24758 4.03240 2.31025 -101.00658 779.31306
3130.0000 -105.29255 -101.14626 4.14629 2.24736 -101.79033 709.24962
3135.0000 -105.36139 -100.79990 4.56149 2.27111 -101.49430 749.07981
3140.0000 -104.38001 -100.65498 3.72502 2.34654 -100.55428 776.86950
3145.0000 -104.87245 -99.96353 4.90892 2.33523 -100.69525 796.60192
3150.0000 -104.01675 -99.57766 4.43909 2.34334 -100.59412 789.99880
3155.0000 -104.83469 -99.90688 4.92781 2.44921 -99.27464 874.43482
3160.0000 -105.98027 -101.58199 4.39828 2.33138 -100.74311 796.25306
3165.0000 -104.93175 -101.34261 3.58914 2.29301 -101.22142 761.58216
3170.0000 -104.67779 -100.55484 4.12296 2.32241 -100.85492 767.79730
3175.0000 -105.58977 -100.70155 4.88821 2.34566 -100.56522 793.60729
3180.0000 -104.91812 -100.88837 4.02975 2.29968 -101.13824 740.33846
3185.0000 -105.64998 -100.86112 4.78886 2.29718 -101.16946 773.79904
3190.0000 -105.28050 -100.56204 4.71846 2.29969 -101.13809 766.38328
3195.0000 -106.77236 -102.43472 4.33764 2.24782 -101.78463 736.77898
3200.0000 -105.45303 -101.36885 4.08418 2.22603 -102.05619 704.60986
3205.0000 -105.44656 -100.77236 4.67421 2.36276 -100.35209 828.42323
3210.0000 -104.68726 -100.75133 3.93593 2.32023 -100.88215 785.03197
3215.0000 -105.61703 -101.40018 4.21685 2.31104 -100.99666 777.82479
3220.0000 -106.67972 -102.65243 4.02729 2.23945 -101.88894 718.64102
3225.0000 -105.73659 -101.59898 4.13760 2.23357 -101.96224 705.61383
3230.0000 -105.22454 -100.37117 4.85337 2.26638 -101.55334 737.14016
3235.0000 -105.76178 -100.95593 4.80585 2.34666 -100.55268 816.54279
3240.0000 -107.47721 -102.52112 4.95610 2.26451 -101.57655 724.43359
3245.0000 -107.07824 -103.41631 3.66193 2.15946 -102.88586 677.57049
3250.0000 -105.86019 -102.02495 3.83523 2.22717 -102.04199 718.86653
FREEZING PROCESS: loop number 14 T-loop= 725.00000000000000
main_MD> interactions number 14 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.06628 1.27012 -1.49754
force_rgl> df(natom) -3.05041 4.63737 -3.65415
3255.0000 -105.80804 -101.49847 4.30957 2.23599 -101.93209 699.96555
3260.0000 -105.31572 -101.34917 3.96656 2.31232 -100.98067 762.48936
3265.0000 -104.96325 -100.92285 4.04040 2.25365 -101.71197 720.11060
3270.0000 -106.06145 -102.33281 3.72864 2.25377 -101.71045 726.62298
3275.0000 -106.22279 -101.75253 4.47026 2.21026 -102.25271 695.23815
3280.0000 -106.53624 -102.52241 4.01384 2.22681 -102.04651 719.39322
3285.0000 -106.20353 -103.31036 2.89317 2.18802 -102.52993 705.42269
3290.0000 -106.31991 -102.50241 3.81750 2.15589 -102.93043 647.03450
3295.0000 -106.48722 -101.93280 4.55442 2.23876 -101.89759 726.40661
3300.0000 -106.65961 -102.67505 3.98457 2.22076 -102.12187 703.61157
3305.0000 -106.38473 -103.52968 2.85504 2.13261 -103.22051 623.06026
3310.0000 -107.56546 -103.02460 4.54087 2.12750 -103.28422 647.07678
3315.0000 -106.42660 -102.98222 3.44439 2.08642 -103.79615 639.86768
3320.0000 -105.56650 -101.60625 3.96025 2.28107 -101.37026 742.86058
3325.0000 -104.87274 -100.69530 4.17744 2.28289 -101.34754 708.80556
3330.0000 -104.84307 -101.24263 3.60044 2.31635 -100.93053 805.51530
3335.0000 -105.94249 -100.69219 5.25029 2.30652 -101.05307 784.81724
3340.0000 -105.10384 -99.82065 5.28319 2.33172 -100.73894 804.11528
3345.0000 -106.66878 -101.74976 4.91902 2.31404 -100.95928 791.35642
3350.0000 -105.77225 -101.89747 3.87478 2.24475 -101.82291 752.17535
3355.0000 -106.01149 -102.06342 3.94807 2.24248 -101.85121 691.03661
3360.0000 -106.55560 -102.64106 3.91454 2.18222 -102.60225 664.57758
3365.0000 -106.01779 -101.59019 4.42760 2.24056 -101.87512 739.13975
3370.0000 -105.57596 -101.23511 4.34084 2.31025 -101.00657 781.04780
3375.0000 -105.76544 -101.22012 4.54532 2.28605 -101.30811 721.10435
3380.0000 -105.48224 -101.95945 3.52279 2.27593 -101.43423 750.84122
3385.0000 -106.70442 -102.77750 3.92692 2.19988 -102.38214 684.40672
3390.0000 -107.36936 -103.64879 3.72057 2.15482 -102.94369 687.70272
3395.0000 -105.96054 -102.75860 3.20195 2.13704 -103.16530 638.32012
3400.0000 -106.21799 -103.06231 3.15568 2.19071 -102.49642 690.03656
3405.0000 -106.79146 -102.99233 3.79913 2.13731 -103.16193 659.50683
3410.0000 -106.95090 -103.21335 3.73755 2.14314 -103.08934 654.85567
3415.0000 -105.19242 -100.84815 4.34427 2.20303 -102.34280 704.47880
3420.0000 -105.19038 -101.25630 3.93407 2.31584 -100.93686 804.01965
3425.0000 -105.34415 -99.76173 5.58242 2.32377 -100.83805 802.57200
3430.0000 -106.23866 -101.17620 5.06246 2.33321 -100.72042 801.80876
3435.0000 -106.53476 -101.96716 4.56760 2.30337 -101.09233 779.01553
3440.0000 -105.36612 -100.74919 4.61694 2.31407 -100.95892 798.38964
3445.0000 -104.64000 -99.98306 4.65693 2.41021 -99.76066 825.78356
3450.0000 -105.14739 -99.38630 5.76109 2.39601 -99.93770 819.21807
3455.0000 -105.31692 -100.00100 5.31593 2.41409 -99.71231 849.24717
3460.0000 -105.25737 -101.06432 4.19305 2.32352 -100.84112 769.31327
3465.0000 -105.78667 -101.94944 3.83723 2.25542 -101.68991 739.20546
3470.0000 -105.59207 -101.46204 4.13004 2.30142 -101.11656 737.77409
3475.0000 -106.51479 -101.75015 4.76464 2.17844 -102.64930 637.95176
3480.0000 -105.44143 -101.80524 3.63619 2.22933 -102.01507 735.34452
3485.0000 -106.86673 -102.01407 4.85265 2.24469 -101.82366 736.22326
3490.0000 -105.91472 -102.70282 3.21190 2.14816 -103.02672 638.61609
3495.0000 -107.57055 -103.02807 4.54248 2.18134 -102.61320 686.64334
3500.0000 -105.93840 -101.81900 4.11940 2.18068 -102.62134 692.06653
FREEZING PROCESS: loop number 15 T-loop= 700.00000000000000
main_MD> interactions number 15 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12043 1.68439 1.10359
force_rgl> df(natom) 1.36734 2.84012 -0.83204
3505.0000 -106.79677 -103.41694 3.37983 2.16456 -102.82230 657.41620
3510.0000 -107.36573 -103.21343 4.15230 2.11717 -103.41291 596.50791
3515.0000 -106.14423 -102.05769 4.08654 2.15574 -102.93218 683.15661
3520.0000 -105.43061 -101.02540 4.40521 2.24996 -101.75790 731.16233
3525.0000 -106.35264 -101.88001 4.47263 2.25199 -101.73259 751.57754
3530.0000 -107.51915 -103.10458 4.41457 2.26565 -101.56245 742.97635
3535.0000 -105.82602 -101.52305 4.30298 2.21288 -102.22004 698.30428
3540.0000 -105.71922 -101.80339 3.91583 2.25828 -101.65421 708.47779
3545.0000 -105.97563 -101.69693 4.27871 2.27155 -101.48887 781.89850
3550.0000 -105.76002 -101.22321 4.53681 2.22825 -102.02850 722.10387
3555.0000 -106.18265 -102.00264 4.18001 2.28704 -101.29578 781.69168
3560.0000 -106.85876 -103.34002 3.51873 2.14381 -103.08096 692.36394
3565.0000 -105.91374 -102.09638 3.81736 2.22013 -102.12969 691.82100
3570.0000 -106.85735 -102.42662 4.43074 2.19703 -102.41766 676.09795
3575.0000 -107.10165 -103.33722 3.76443 2.16103 -102.86626 632.83364
3580.0000 -105.69568 -102.11150 3.58418 2.14128 -103.11247 657.91716
3585.0000 -107.29052 -103.10180 4.18872 2.18826 -102.52698 667.63589
3590.0000 -107.41118 -103.72112 3.69006 2.13038 -103.24832 663.19129
3595.0000 -107.19219 -103.61633 3.57586 2.13264 -103.22020 641.60289
3600.0000 -106.34091 -102.68360 3.65730 2.14217 -103.10142 657.92189
3605.0000 -106.88479 -103.65226 3.23253 2.16541 -102.81170 681.29768
3610.0000 -106.36987 -102.95061 3.41927 2.13362 -103.20793 637.83384
3615.0000 -106.91126 -103.05069 3.86057 2.16760 -102.78448 678.95531
3620.0000 -106.06281 -101.90691 4.15589 2.18102 -102.61711 673.88710
3625.0000 -106.28292 -102.63511 3.64781 2.22495 -102.06969 711.44845
3630.0000 -106.13922 -102.59094 3.54828 2.18671 -102.54629 691.53067
3635.0000 -107.00298 -103.26694 3.73604 2.16647 -102.79845 675.44148
3640.0000 -107.75084 -102.76269 4.98815 2.11644 -103.42208 627.28411
3645.0000 -107.11875 -103.54013 3.57862 2.16990 -102.75578 688.37076
3650.0000 -107.39187 -103.30849 4.08338 2.09534 -103.68504 607.12888
3655.0000 -106.05361 -102.83832 3.21529 2.18354 -102.58572 671.31121
3660.0000 -106.25125 -101.86725 4.38401 2.18745 -102.53701 661.11630
3665.0000 -105.67045 -101.47941 4.19104 2.22616 -102.05462 675.50879
3670.0000 -106.95893 -103.08925 3.86968 2.21099 -102.24368 687.53239
3675.0000 -106.04498 -102.80269 3.24229 2.17108 -102.74107 672.84283
3680.0000 -107.08796 -102.72309 4.36487 2.14854 -103.02203 657.14984
3685.0000 -105.20619 -100.89827 4.30792 2.22723 -102.04117 719.07312
3690.0000 -106.52229 -103.11385 3.40844 2.23916 -101.89257 732.14833
3695.0000 -105.70094 -100.98405 4.71690 2.22071 -102.12248 706.15987
3700.0000 -106.49077 -103.23528 3.25549 2.20677 -102.29624 706.14722
3705.0000 -107.26399 -102.92181 4.34217 2.15594 -102.92980 672.38316
3710.0000 -105.42242 -100.69605 4.72637 2.21913 -102.14218 723.24422
3715.0000 -105.53293 -101.70291 3.83002 2.27148 -101.48969 760.44311
3720.0000 -106.36045 -102.16303 4.19742 2.22475 -102.07220 700.95315
3725.0000 -107.17588 -103.13891 4.03697 2.16764 -102.78392 685.92349
3730.0000 -106.71379 -102.71176 4.00203 2.13243 -103.22272 627.36768
3735.0000 -105.88351 -101.19328 4.69023 2.24464 -101.82421 721.27437
3740.0000 -105.81128 -102.34701 3.46427 2.21633 -102.17708 689.31608
3745.0000 -106.97884 -103.20608 3.77276 2.17376 -102.70765 665.75481
3750.0000 -106.99473 -103.59081 3.40392 2.14819 -103.02629 661.85338
FREEZING PROCESS: loop number 16 T-loop= 675.00000000000000
main_MD> interactions number 16 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84328 -4.07757 1.27434
force_rgl> df(natom) 0.35155 -1.00197 2.21199
3755.0000 -106.38689 -102.53989 3.84701 2.14969 -103.00760 651.46543
3760.0000 -106.55366 -102.94171 3.61195 2.15866 -102.89581 661.76006
3765.0000 -106.42201 -102.49785 3.92416 2.16836 -102.77491 678.73651
3770.0000 -106.44890 -102.30366 4.14523 2.15341 -102.96127 676.84873
3775.0000 -106.07731 -102.49533 3.58198 2.18235 -102.60059 687.29472
3780.0000 -105.92995 -102.46626 3.46369 2.19889 -102.39445 659.50762
3785.0000 -106.30477 -102.06937 4.23540 2.20366 -102.33493 673.64227
3790.0000 -106.06332 -101.46976 4.59356 2.20299 -102.34337 707.56682
3795.0000 -106.57283 -102.05079 4.52204 2.22886 -102.02097 740.22201
3800.0000 -105.91105 -102.08396 3.82709 2.25030 -101.75372 721.08928
3805.0000 -105.75370 -101.44824 4.30546 2.25047 -101.75161 703.09205
3810.0000 -106.55142 -103.24785 3.30358 2.21200 -102.23101 714.07832
3815.0000 -106.63532 -103.27623 3.35910 2.12540 -103.31041 665.02845
3820.0000 -106.80675 -103.50169 3.30506 2.14339 -103.08620 656.17746
3825.0000 -108.01429 -104.93152 3.08278 2.05537 -104.18316 593.12959
3830.0000 -106.57090 -102.63870 3.93219 2.07743 -103.90820 600.43865
3835.0000 -106.10602 -101.74306 4.36296 2.22541 -102.06386 710.14312
3840.0000 -105.22872 -101.12548 4.10324 2.26948 -101.51460 757.18672
3845.0000 -107.48501 -104.32612 3.15889 2.16773 -102.78279 658.70891
3850.0000 -106.83614 -103.76222 3.07392 2.06947 -104.00743 543.54387
3855.0000 -107.79740 -104.27879 3.51861 2.07731 -103.90976 604.26040
3860.0000 -106.53144 -103.21992 3.31152 2.07440 -103.94604 593.77540
3865.0000 -106.35524 -102.57929 3.77594 2.16301 -102.84168 644.61114
3870.0000 -105.99051 -102.55197 3.43853 2.22529 -102.06544 684.94722
3875.0000 -105.31221 -101.19016 4.12205 2.21970 -102.13508 711.90261
3880.0000 -106.91482 -103.28282 3.63200 2.23232 -101.97776 709.19465
3885.0000 -106.15830 -101.96887 4.18943 2.19348 -102.46188 674.18613
3890.0000 -106.77256 -102.66497 4.10760 2.21215 -102.22919 723.87566
3895.0000 -106.34051 -102.44403 3.89648 2.17030 -102.75072 682.72645
3900.0000 -106.36562 -102.47114 3.89448 2.21072 -102.24696 700.79167
3905.0000 -106.16949 -101.65280 4.51669 2.24534 -101.81553 717.85315
3910.0000 -106.72688 -101.62994 5.09694 2.28770 -101.28763 761.05981
3915.0000 -105.90473 -101.81825 4.08649 2.23336 -101.96487 704.36140
3920.0000 -106.86665 -102.99207 3.87458 2.15493 -102.94231 661.38792
3925.0000 -106.44244 -102.93411 3.50833 2.16654 -102.79761 651.46466
3930.0000 -106.35331 -101.55240 4.80091 2.20376 -102.33378 690.23682
3935.0000 -107.61649 -103.07251 4.54398 2.21283 -102.22066 731.94167
3940.0000 -106.50323 -103.36164 3.14159 2.12959 -103.25821 637.41158
3945.0000 -107.15545 -102.89282 4.26263 2.15466 -102.94566 651.85619
3950.0000 -106.19075 -102.14168 4.04906 2.19891 -102.39417 696.89988
3955.0000 -106.02631 -101.82641 4.19990 2.23149 -101.98815 726.30923
3960.0000 -105.66297 -102.03892 3.62406 2.20380 -102.33319 673.32791
3965.0000 -105.82310 -101.78408 4.03902 2.23758 -101.91228 705.51078
3970.0000 -106.63176 -102.34219 4.28957 2.22643 -102.05124 727.56727
3975.0000 -106.13429 -102.69112 3.44318 2.20118 -102.36594 724.25868
3980.0000 -106.88401 -103.36674 3.51727 2.19066 -102.49696 673.18986
3985.0000 -106.56794 -102.76432 3.80362 2.13844 -103.14781 603.19975
3990.0000 -105.93133 -102.11248 3.81885 2.20755 -102.28651 678.47858
3995.0000 -105.49112 -101.44599 4.04512 2.23141 -101.98908 694.93688
4000.0000 -106.56929 -103.57379 2.99550 2.16238 -102.84950 630.42403
FREEZING PROCESS: loop number 17 T-loop= 650.00000000000000
main_MD> interactions number 17 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76099 0.79241 0.55793
force_rgl> df(natom) 0.67349 -1.54844 1.63699
4005.0000 -106.10224 -102.12060 3.98164 2.16195 -102.85488 649.57975
4010.0000 -106.62178 -102.07288 4.54890 2.22551 -102.06261 737.98746
4015.0000 -106.01310 -101.79458 4.21851 2.19758 -102.41073 699.79765
4020.0000 -106.69146 -103.36031 3.33115 2.16356 -102.83474 670.93749
4025.0000 -106.75887 -103.18434 3.57452 2.08773 -103.77983 562.72683
4030.0000 -106.61543 -103.29897 3.31646 2.13219 -103.22580 618.04208
4035.0000 -106.62631 -103.14834 3.47797 2.13840 -103.14839 645.02071
4040.0000 -104.85008 -100.90898 3.94110 2.23525 -101.94128 708.86121
4045.0000 -107.17466 -103.82062 3.35404 2.23064 -101.99876 708.92110
4050.0000 -107.13722 -104.52516 2.61206 2.07530 -103.93480 566.56997
4055.0000 -107.17016 -104.04474 3.12542 2.05393 -104.20109 583.37910
4060.0000 -107.50547 -103.24733 4.25814 2.12815 -103.27611 654.96671
4065.0000 -107.20766 -103.83285 3.37481 2.14690 -103.04238 656.00299
4070.0000 -107.85345 -105.03080 2.82266 2.02273 -104.59003 549.03535
4075.0000 -107.29690 -103.84567 3.45123 1.99102 -104.98526 535.99643
4080.0000 -107.33341 -104.13094 3.20247 2.05286 -104.21451 563.42634
4085.0000 -106.76993 -102.47516 4.29477 2.12324 -103.33732 607.07368
4090.0000 -106.04145 -102.35379 3.68766 2.17957 -102.63518 657.86590
4095.0000 -106.65715 -103.28070 3.37645 2.19360 -102.46033 676.44302
4100.0000 -107.09890 -103.75751 3.34139 2.12458 -103.32057 652.91641
4105.0000 -106.06352 -102.38769 3.67583 2.16635 -102.80006 670.90096
4110.0000 -107.56332 -103.57605 3.98727 2.13718 -103.16355 636.17882
4115.0000 -106.74251 -103.83649 2.90601 2.08806 -103.77570 600.72876
4120.0000 -106.88277 -103.09796 3.78481 2.14498 -103.06633 658.45447
4125.0000 -108.18676 -103.73913 4.44763 2.15477 -102.94427 679.35944
4130.0000 -107.35637 -104.35289 3.00348 2.06826 -104.02259 587.80296
4135.0000 -107.47144 -103.96906 3.50238 2.02865 -104.51624 539.13475
4140.0000 -107.34380 -103.20601 4.13779 2.13037 -103.24838 656.81537
4145.0000 -107.05245 -102.93111 4.12133 2.15285 -102.96829 674.14636
4150.0000 -107.73311 -103.57240 4.16072 2.08705 -103.78830 587.29305
4155.0000 -106.91660 -103.22688 3.68971 2.13234 -103.22392 647.10024
4160.0000 -105.86696 -101.59645 4.27051 2.17140 -102.73703 675.73278
4165.0000 -106.22178 -102.58917 3.63260 2.21618 -102.17891 717.84722
4170.0000 -106.34068 -103.13429 3.20639 2.20113 -102.36655 690.34543
4175.0000 -106.36948 -102.29584 4.07364 2.16085 -102.86853 655.52549
4180.0000 -105.93371 -102.52634 3.40737 2.18289 -102.59385 655.58976
4185.0000 -105.33159 -101.40591 3.92568 2.25130 -101.74125 742.55512
4190.0000 -106.25473 -102.15072 4.10401 2.22258 -102.09919 681.19103
4195.0000 -106.00925 -102.02366 3.98559 2.23179 -101.98442 702.56923
4200.0000 -106.25091 -102.23177 4.01914 2.20373 -102.33415 678.76074
4205.0000 -106.37809 -103.45941 2.91869 2.12151 -103.35886 647.82225
4210.0000 -107.41777 -104.32787 3.08991 2.09421 -103.69915 589.95379
4215.0000 -108.09125 -104.81404 3.27721 2.01183 -104.72589 546.08444
4220.0000 -107.28539 -103.92055 3.36484 2.02453 -104.56754 557.92132
4225.0000 -107.05209 -103.69331 3.35878 2.06287 -104.08976 583.57634
4230.0000 -106.72377 -102.36969 4.35408 2.15519 -102.93905 647.79875
4235.0000 -105.69208 -102.34067 3.35141 2.16269 -102.84567 665.52036
4240.0000 -106.01115 -102.47522 3.53594 2.16964 -102.75897 637.53619
4245.0000 -105.65536 -101.61029 4.04507 2.21525 -102.19054 695.11277
4250.0000 -106.34924 -101.85296 4.49629 2.25573 -101.68608 750.73517
FREEZING PROCESS: loop number 18 T-loop= 625.00000000000000
main_MD> interactions number 18 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15809 -0.18302 -1.01657
force_rgl> df(natom) -3.15010 2.22070 -1.75450
4255.0000 -107.08540 -103.38068 3.70473 2.16817 -102.77737 686.12177
4260.0000 -106.44687 -103.08783 3.35905 2.14136 -103.11152 645.99763
4265.0000 -107.05050 -103.06622 3.98428 2.15070 -102.99506 636.22142
4270.0000 -107.07038 -104.04675 3.02363 2.10279 -103.59216 607.08813
4275.0000 -107.38412 -103.86129 3.52282 2.09188 -103.72815 591.94209
4280.0000 -106.29681 -102.71207 3.58474 2.12886 -103.26729 655.66775
4285.0000 -107.55335 -103.87391 3.67944 2.11231 -103.47351 636.40115
4290.0000 -108.22574 -103.96978 4.25595 2.04098 -104.36248 579.79782
4295.0000 -107.74044 -104.67001 3.07043 2.06497 -104.06354 597.71012
4300.0000 -107.87915 -104.67177 3.20738 2.03023 -104.49651 537.87648
4305.0000 -107.86488 -104.83356 3.03132 2.02390 -104.57546 582.96760
4310.0000 -107.54623 -104.09329 3.45294 2.06423 -104.07282 590.99637
4315.0000 -107.29661 -103.62324 3.67337 2.11265 -103.46933 628.54625
4320.0000 -107.27463 -104.31189 2.96274 2.04898 -104.26276 567.65522
4325.0000 -107.60536 -104.69331 2.91205 2.01322 -104.70857 569.45914
4330.0000 -107.10196 -103.35603 3.74593 2.05805 -104.14979 592.46544
4335.0000 -107.12085 -103.77828 3.34257 2.11696 -103.41556 623.59575
4340.0000 -107.40406 -104.26219 3.14187 2.10602 -103.55189 610.04688
4345.0000 -106.91159 -103.31537 3.59622 2.08536 -103.80945 591.75090
4350.0000 -107.34317 -104.11851 3.22466 2.07302 -103.96318 588.78909
4355.0000 -107.37046 -103.84129 3.52918 2.09449 -103.69561 645.50251
4360.0000 -106.32904 -102.68315 3.64589 2.14277 -103.09393 665.97618
4365.0000 -106.37934 -102.38101 3.99833 2.17168 -102.73362 662.02378
4370.0000 -106.97647 -103.00811 3.96836 2.18614 -102.55341 666.47568
4375.0000 -107.56374 -103.24722 4.31652 2.16400 -102.82933 666.49493
4380.0000 -107.01865 -103.82836 3.19029 2.09352 -103.70769 617.30601
4385.0000 -105.92451 -102.05454 3.86998 2.16597 -102.80478 674.86374
4390.0000 -105.99312 -102.65811 3.33501 2.20448 -102.32475 696.86274
4395.0000 -106.29910 -102.49460 3.80450 2.17583 -102.68185 680.06152
4400.0000 -107.29103 -104.01156 3.27947 2.13631 -103.17441 650.53293
4405.0000 -107.71159 -104.53031 3.18128 2.04246 -104.34410 569.99521
4410.0000 -107.20294 -103.85969 3.34325 2.05701 -104.16278 557.80021
4415.0000 -107.40786 -103.56321 3.84465 2.09533 -103.68510 586.92084
4420.0000 -106.40341 -102.77512 3.62829 2.16189 -102.85553 650.60004
4425.0000 -105.97891 -102.45400 3.52491 2.15841 -102.89902 649.42116
4430.0000 -106.14465 -102.60163 3.54302 2.23194 -101.98257 734.19351
4435.0000 -107.73010 -104.88734 2.84276 2.08619 -103.79905 589.93403
4440.0000 -106.71754 -103.75175 2.96578 2.02850 -104.51813 536.11154
4445.0000 -106.66973 -104.05940 2.61033 2.13120 -103.23808 610.18195
4450.0000 -107.62833 -104.15245 3.47588 2.03793 -104.40059 568.47753
4455.0000 -106.62349 -103.38881 3.23468 2.11289 -103.46633 633.61706
4460.0000 -106.45162 -102.98883 3.46279 2.13951 -103.13454 606.13327
4465.0000 -106.60643 -103.20906 3.39736 2.16835 -102.77507 656.39618
4470.0000 -107.55023 -103.85347 3.69676 2.09958 -103.63219 619.94295
4475.0000 -107.51724 -103.99755 3.51970 2.07597 -103.92642 600.50193
4480.0000 -107.35060 -103.94618 3.40442 2.08454 -103.81965 619.23956
4485.0000 -106.42316 -103.21638 3.20678 2.11972 -103.38117 618.16515
4490.0000 -106.59192 -102.81786 3.77405 2.18938 -102.51294 656.70897
4495.0000 -106.89085 -103.08866 3.80218 2.13396 -103.20369 635.46912
4500.0000 -106.20217 -101.72858 4.47359 2.16418 -102.82704 660.67939
FREEZING PROCESS: loop number 19 T-loop= 600.00000000000000
main_MD> interactions number 19 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74326 -2.87460 -0.39050
force_rgl> df(natom) 0.14980 1.36712 6.02575
4505.0000 -107.56817 -104.78943 2.77874 2.15009 -103.00268 634.84367
4510.0000 -106.63753 -103.25767 3.37986 2.05697 -104.16321 545.17502
4515.0000 -106.76287 -103.20934 3.55353 2.17701 -102.66715 686.19167
4520.0000 -107.47150 -102.89765 4.57384 2.14017 -103.12632 681.43096
4525.0000 -107.25274 -103.32097 3.93177 2.13277 -103.21853 657.87953
4530.0000 -105.75110 -102.85803 2.89306 2.12564 -103.30733 621.36209
4535.0000 -107.86818 -104.91673 2.95145 2.03395 -104.45011 551.57394
4540.0000 -107.29232 -103.54634 3.74598 2.01315 -104.70941 553.91809
4545.0000 -106.56916 -102.82881 3.74034 2.12724 -103.28738 654.78604
4550.0000 -106.95983 -103.59650 3.36333 2.14992 -103.00483 643.95899
4555.0000 -106.87856 -103.60755 3.27100 2.07161 -103.98079 602.81265
4560.0000 -107.47595 -103.80987 3.66607 2.04731 -104.28370 578.05400
4565.0000 -107.81432 -104.26563 3.54869 2.06593 -104.05154 597.75975
4570.0000 -107.12253 -103.91573 3.20681 2.05830 -104.14670 563.51637
4575.0000 -106.70589 -102.93688 3.76900 2.15464 -102.94594 631.65225
4580.0000 -107.23493 -103.71173 3.52320 2.11544 -103.43448 612.83928
4585.0000 -107.38525 -103.84162 3.54362 2.01634 -104.66961 539.62908
4590.0000 -107.40036 -104.06258 3.33778 2.09850 -103.64563 606.14067
4595.0000 -107.75985 -104.25284 3.50701 2.05645 -104.16971 574.66593
4600.0000 -108.03918 -104.26694 3.77224 2.06667 -104.04236 625.77575
4605.0000 -107.17949 -103.36891 3.81059 2.09714 -103.66263 635.18491
4610.0000 -106.41339 -102.25811 4.15528 2.14803 -103.02839 654.77440
4615.0000 -106.66497 -103.52614 3.13883 2.15655 -102.92213 631.25391
4620.0000 -107.34413 -103.82948 3.51465 2.08106 -103.86299 571.54679
4625.0000 -107.39331 -104.22912 3.16419 2.06242 -104.09534 583.43814
4630.0000 -107.25613 -104.05398 3.20215 2.06629 -104.04711 576.54905
4635.0000 -107.29174 -104.29996 2.99177 2.09176 -103.72970 620.23075
4640.0000 -107.82721 -105.17019 2.65701 2.00537 -104.80635 527.18429
4645.0000 -107.86913 -104.36710 3.50203 2.00659 -104.79116 525.89601
4650.0000 -106.47937 -103.32660 3.15277 2.10123 -103.61166 627.69030
4655.0000 -107.08760 -103.52358 3.56402 2.11039 -103.49750 600.73226
4660.0000 -107.65127 -104.05479 3.59648 2.07542 -103.93331 590.09876
4665.0000 -107.26281 -103.39523 3.86758 2.13222 -103.22540 634.44215
4670.0000 -107.69585 -104.70121 2.99464 2.05467 -104.19187 584.53156
4675.0000 -107.28033 -104.14885 3.13148 2.07412 -103.94949 604.51287
4680.0000 -108.00080 -103.71559 4.28520 2.06305 -104.08752 602.96820
4685.0000 -107.17263 -104.37109 2.80154 2.07614 -103.92426 581.14880
4690.0000 -106.80577 -103.85449 2.95129 2.08084 -103.86576 575.86959
4695.0000 -106.46196 -103.11981 3.34215 2.15464 -102.94598 659.86947
4700.0000 -107.14044 -102.95758 4.18286 2.15686 -102.91822 633.53769
4705.0000 -107.59323 -104.03992 3.55331 2.11790 -103.40386 623.56118
4710.0000 -107.53732 -104.15379 3.38354 2.06812 -104.02427 592.58082
4715.0000 -107.09759 -103.96248 3.13512 2.04548 -104.30650 562.78256
4720.0000 -107.46847 -104.03367 3.43479 2.07073 -103.99177 593.63584
4725.0000 -106.62295 -102.98825 3.63470 2.08401 -103.82628 580.94082
4730.0000 -107.26349 -102.71767 4.54583 2.11210 -103.47611 635.37112
4735.0000 -107.59327 -104.13337 3.45990 2.10115 -103.61259 623.33751
4740.0000 -107.76660 -103.93828 3.82832 2.06922 -104.01058 609.18521
4745.0000 -107.39879 -104.67553 2.72326 2.06300 -104.08808 574.76890
4750.0000 -107.79171 -104.61858 3.17313 2.07379 -103.95357 598.01049
FREEZING PROCESS: loop number 20 T-loop= 575.00000000000000
main_MD> interactions number 20 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.08978 1.98427 -1.46716
force_rgl> df(natom) 0.45419 -1.39173 -0.65629
4755.0000 -107.29888 -104.30607 2.99281 2.02879 -104.51443 540.63342
4760.0000 -106.95678 -104.17857 2.77822 2.08407 -103.82544 568.20614
4765.0000 -106.93590 -103.84710 3.08880 2.02898 -104.51215 533.99337
4770.0000 -107.15497 -104.13926 3.01571 2.06522 -104.06048 557.90894
4775.0000 -107.11889 -104.27076 2.84812 2.05992 -104.12643 559.14104
4780.0000 -107.72007 -104.13752 3.58256 2.06244 -104.09508 564.49908
4785.0000 -107.92862 -104.64731 3.28131 2.02122 -104.60880 545.65991
4790.0000 -106.98908 -103.31520 3.67389 2.07134 -103.98415 598.22938
4795.0000 -107.57542 -104.15341 3.42201 2.12522 -103.31267 650.96895
4800.0000 -107.92156 -104.08217 3.83939 2.03347 -104.45612 552.60832
4805.0000 -107.43039 -103.68290 3.74748 2.10839 -103.52242 610.75441
4810.0000 -107.24803 -103.04956 4.19847 2.13864 -103.14540 657.72853
4815.0000 -107.64152 -104.25503 3.38649 2.07076 -103.99143 592.64517
4820.0000 -108.31122 -104.99303 3.31820 2.00813 -104.77199 540.13037
4825.0000 -107.51523 -104.80966 2.70556 2.02415 -104.57224 566.25565
4830.0000 -106.90696 -103.91400 2.99296 2.02578 -104.55202 563.41263
4835.0000 -107.70832 -104.06857 3.63976 2.03289 -104.46336 560.23344
4840.0000 -106.39113 -102.78643 3.60470 2.13386 -103.20498 642.91988
4845.0000 -106.98779 -103.73001 3.25778 2.12846 -103.27219 657.88763
4850.0000 -107.68925 -104.70409 2.98515 2.08538 -103.80922 599.63034
4855.0000 -107.73075 -104.73196 2.99879 2.02920 -104.50934 573.78748
4860.0000 -107.11979 -104.21349 2.90631 2.02223 -104.59624 563.85669
4865.0000 -107.48058 -104.70679 2.77379 2.04420 -104.32235 565.70543
4870.0000 -108.12148 -104.88362 3.23786 2.00373 -104.82683 540.62770
4875.0000 -107.03472 -103.75562 3.27910 2.03828 -104.39619 568.35724
4880.0000 -106.98744 -104.03978 2.94766 2.06822 -104.02307 588.30918
4885.0000 -108.11659 -105.02546 3.09113 2.03378 -104.45225 587.39818
4890.0000 -107.97815 -104.60042 3.37773 1.99611 -104.92172 549.55600
4895.0000 -107.57048 -103.96018 3.61030 2.05347 -104.20684 580.27721
4900.0000 -106.77200 -103.82102 2.95099 2.06947 -104.00741 584.55502
4905.0000 -107.24238 -103.59094 3.65144 2.09964 -103.63147 606.21547
4910.0000 -107.98089 -105.26463 2.71625 2.01520 -104.68381 541.40195
4915.0000 -108.33211 -105.09307 3.23903 2.00263 -104.84050 544.76935
4920.0000 -107.57633 -104.41081 3.16552 2.00845 -104.76795 545.32643
4925.0000 -107.75127 -104.56955 3.18172 2.03683 -104.41427 570.93386
4930.0000 -108.26691 -105.03205 3.23486 2.00067 -104.86498 530.79004
4935.0000 -107.27679 -104.27514 3.00166 2.00177 -104.85120 528.29113
4940.0000 -106.97797 -103.68720 3.29077 2.06637 -104.04613 592.78955
4945.0000 -107.16670 -103.66555 3.50116 2.10667 -103.54377 632.95177
4950.0000 -105.98736 -102.84689 3.14047 2.14130 -103.11217 631.40658
4955.0000 -107.11852 -103.17896 3.93956 2.15224 -102.97583 626.75950
4960.0000 -107.01760 -103.46635 3.55126 2.12806 -103.27717 649.22642
4965.0000 -108.21866 -105.64724 2.57142 2.02042 -104.61880 572.47095
4970.0000 -107.23646 -104.42568 2.81078 1.99690 -104.91189 550.05010
4975.0000 -106.67771 -103.59548 3.08222 2.08026 -103.87297 617.27996
4980.0000 -107.43338 -104.74279 2.69059 2.06767 -104.02993 606.51933
4985.0000 -107.50400 -104.51160 2.99240 2.02842 -104.51906 563.48040
4990.0000 -108.11901 -104.58044 3.53858 2.04200 -104.34977 576.43086
4995.0000 -108.09585 -104.71193 3.38391 2.00793 -104.77443 531.44077
5000.0000 -107.55260 -104.20592 3.34667 2.00480 -104.81341 531.86502
FREEZING PROCESS: loop number 21 T-loop= 550.00000000000000
main_MD> interactions number 21 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.68488 -1.83668 -0.19309
force_rgl> df(natom) 0.31866 1.94655 -0.66734
5005.0000 -107.81978 -104.68187 3.13791 2.02632 -104.54531 569.20173
5010.0000 -108.05067 -104.35932 3.69135 2.01240 -104.71868 547.73953
5015.0000 -107.41994 -104.43697 2.98297 2.03834 -104.39548 577.50864
5020.0000 -108.44254 -105.48316 2.95938 1.99336 -104.95603 539.69435
5025.0000 -107.85373 -104.60366 3.25007 1.98415 -105.07082 531.39494
5030.0000 -107.56185 -104.58474 2.97711 1.97576 -105.17542 524.20494
5035.0000 -108.25380 -104.75865 3.49515 2.01970 -104.62772 560.11825
5040.0000 -108.11969 -104.75983 3.35986 1.99488 -104.93715 514.63141
5045.0000 -107.54253 -104.41955 3.12298 2.04485 -104.31427 546.39328
5050.0000 -107.76433 -104.76399 3.00034 2.01636 -104.66935 548.75218
5055.0000 -107.83716 -104.80490 3.03227 2.00605 -104.79782 534.86798
5060.0000 -107.49466 -104.04070 3.45396 2.03121 -104.48425 535.74654
5065.0000 -107.95081 -104.66975 3.28106 2.03683 -104.41422 529.61885
5070.0000 -107.23789 -104.50109 2.73680 2.02880 -104.51430 543.31770
5075.0000 -107.88658 -104.89146 2.99512 2.03569 -104.42840 568.12965
5080.0000 -106.96255 -103.57078 3.39177 2.04498 -104.31274 563.00157
5085.0000 -108.23362 -105.10531 3.12831 2.02502 -104.56139 571.77877
5090.0000 -107.71954 -104.91432 2.80522 1.99015 -104.99603 538.74035
5095.0000 -108.34899 -105.67476 2.67423 1.92968 -105.74975 493.03859
5100.0000 -107.87224 -105.06026 2.81199 1.97130 -105.23101 550.88656
5105.0000 -108.21910 -104.97087 3.24823 1.98504 -105.05969 570.72239
5110.0000 -108.87823 -105.35916 3.51907 1.97062 -105.23948 538.45129
5115.0000 -106.93598 -103.67714 3.25884 2.03696 -104.41258 558.39898
5120.0000 -106.88599 -103.51771 3.36829 2.09011 -103.75022 584.38561
5125.0000 -107.06749 -103.81584 3.25166 2.12520 -103.31287 615.65533
5130.0000 -107.16322 -104.39633 2.76689 2.07656 -103.91904 593.57285
5135.0000 -106.89242 -103.87785 3.01458 2.04049 -104.36864 535.90866
5140.0000 -107.96827 -105.12349 2.84477 2.00484 -104.81296 539.89842
5145.0000 -108.06038 -104.74720 3.31317 2.00335 -104.83158 537.69088
5150.0000 -108.38531 -105.63242 2.75289 1.95390 -105.44782 491.15542
5155.0000 -108.42990 -104.95257 3.47733 1.99484 -104.93765 536.03878
5160.0000 -107.74888 -104.22170 3.52718 2.03714 -104.41039 585.00785
5165.0000 -108.09187 -105.31167 2.78021 2.03866 -104.39145 586.14529
5170.0000 -107.86908 -104.95806 2.91102 1.99195 -104.97364 516.36845
5175.0000 -107.64031 -104.41962 3.22069 2.01789 -104.65033 549.92104
5180.0000 -107.14228 -104.06886 3.07342 2.05916 -104.13597 543.14991
5185.0000 -107.71810 -104.73592 2.98218 2.04253 -104.34325 524.87307
5190.0000 -107.33184 -104.34351 2.98833 2.04408 -104.32385 554.38230
5195.0000 -108.57269 -105.41727 3.15542 2.03224 -104.47149 560.85794
5200.0000 -107.85008 -104.80576 3.04432 2.00479 -104.81356 547.05228
5205.0000 -107.98406 -104.93704 3.04702 2.00367 -104.82751 522.30474
5210.0000 -108.12822 -104.76023 3.36799 1.98141 -105.10503 523.51257
5215.0000 -107.85699 -104.38614 3.47085 2.02260 -104.59163 532.81394
5220.0000 -107.12507 -103.47579 3.64927 2.10628 -103.54868 634.98338
5225.0000 -106.44509 -102.98226 3.46283 2.10927 -103.51145 622.68320
5230.0000 -108.32240 -105.00995 3.31244 2.07119 -103.98597 603.94510
5235.0000 -108.04722 -104.59774 3.44949 2.00586 -104.80026 561.07274
5240.0000 -108.88598 -105.72220 3.16378 1.98748 -105.02937 571.71040
5245.0000 -107.92079 -105.47780 2.44299 1.94001 -105.62094 511.38858
5250.0000 -108.31099 -105.24089 3.07010 1.96800 -105.27209 549.25433
FREEZING PROCESS: loop number 22 T-loop= 525.00000000000000
main_MD> interactions number 22 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48504 -0.96473 0.62506
force_rgl> df(natom) 1.92281 -0.46775 -0.31457
5255.0000 -108.21187 -104.92978 3.28209 1.99761 -104.90307 551.56246
5260.0000 -108.05734 -105.35959 2.69775 1.96773 -105.27552 509.89497
5265.0000 -108.67760 -104.89164 3.78597 2.00599 -104.79864 552.62004
5270.0000 -108.30401 -105.48662 2.81738 1.98170 -105.10136 518.27546
5275.0000 -107.94624 -105.17854 2.76770 1.98739 -105.03044 526.77239
5280.0000 -108.27749 -105.49997 2.77751 1.96238 -105.34210 514.05249
5285.0000 -108.22064 -105.14253 3.07811 1.96554 -105.30274 495.49229
5290.0000 -108.88754 -106.23439 2.65316 1.94937 -105.50427 512.68897
5295.0000 -108.91868 -106.35354 2.56513 1.89746 -106.15128 446.96825
5300.0000 -108.61594 -105.89592 2.72002 1.91153 -105.97587 453.18111
5305.0000 -108.93718 -106.03637 2.90081 1.94286 -105.58546 487.16422
5310.0000 -108.62664 -106.04969 2.57695 1.93920 -105.63108 476.08312
5315.0000 -108.00282 -105.50425 2.49857 1.94378 -105.57397 481.31644
5320.0000 -107.78690 -105.50309 2.28381 1.96284 -105.33638 486.32988
5325.0000 -108.07015 -105.75377 2.31638 1.96932 -105.25565 503.67657
5330.0000 -108.11984 -105.49050 2.62934 1.93438 -105.69111 461.36426
5335.0000 -108.94137 -105.52732 3.41406 1.95532 -105.43008 495.49274
5340.0000 -108.65045 -105.83542 2.81503 1.93790 -105.64730 480.21579
5345.0000 -107.65439 -105.14658 2.50782 1.96516 -105.30748 515.18475
5350.0000 -108.77730 -105.79891 2.97839 1.92159 -105.85053 484.15409
5355.0000 -108.20578 -105.55858 2.64720 1.92871 -105.76183 484.05706
5360.0000 -108.08501 -105.24197 2.84303 1.95681 -105.41156 503.01558
5365.0000 -108.37296 -105.37783 2.99513 1.96702 -105.28428 503.58713
5370.0000 -107.94510 -105.27067 2.67443 1.94168 -105.60015 486.83497
5375.0000 -108.44470 -105.56043 2.88427 1.94746 -105.52814 508.00988
5380.0000 -107.77030 -105.12021 2.65009 1.98413 -105.07102 530.21760
5385.0000 -108.27492 -105.52599 2.74894 1.95133 -105.47989 475.55642
5390.0000 -107.72282 -104.81388 2.90894 1.97764 -105.15190 501.06059
5395.0000 -107.49532 -104.64147 2.85386 2.00720 -104.78355 523.42700
5400.0000 -108.30978 -105.36642 2.94336 2.00233 -104.84425 521.45019
5405.0000 -107.66908 -105.00621 2.66287 1.95869 -105.38817 506.56794
5410.0000 -107.62382 -104.49709 3.12673 1.98295 -105.08581 519.79373
5415.0000 -108.16240 -104.69891 3.46349 2.02368 -104.57818 553.39942
5420.0000 -107.37502 -104.31874 3.05629 2.06636 -104.04622 571.68159
5425.0000 -107.95343 -105.11709 2.83634 2.02310 -104.58536 535.31998
5430.0000 -107.37937 -104.71961 2.65977 1.99579 -104.92571 483.48072
5435.0000 -107.52477 -104.67784 2.84693 2.01720 -104.65886 527.85845
5440.0000 -107.97009 -105.01370 2.95639 1.98548 -105.05422 535.94797
5445.0000 -107.92590 -104.89752 3.02838 2.01923 -104.63360 573.12513
5450.0000 -107.63076 -104.58025 3.05051 1.98441 -105.06763 536.13802
5455.0000 -107.26551 -104.57925 2.68627 2.00029 -104.86963 529.34459
5460.0000 -107.13243 -104.12149 3.01094 2.05097 -104.23804 583.51154
5465.0000 -108.31244 -105.25923 3.05321 2.01274 -104.71451 547.36812
5470.0000 -108.30543 -105.64964 2.65579 1.96067 -105.36352 524.60558
5475.0000 -108.04942 -104.68684 3.36258 1.98475 -105.06332 542.50663
5480.0000 -108.54757 -105.23149 3.31608 1.99301 -104.96044 541.00316
5485.0000 -108.16232 -105.07518 3.08714 1.96446 -105.31626 516.89061
5490.0000 -108.28148 -105.78387 2.49761 1.94512 -105.55733 496.37379
5495.0000 -108.69877 -105.85719 2.84158 1.95547 -105.42832 511.41113
5500.0000 -108.27597 -104.92317 3.35280 1.93184 -105.72275 469.74477
FREEZING PROCESS: loop number 23 T-loop= 500.00000000000000
main_MD> interactions number 23 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35192 1.00314 -0.17708
force_rgl> df(natom) 0.90015 0.83172 -0.57002
5505.0000 -107.64445 -105.17448 2.46997 1.95516 -105.43220 486.55298
5510.0000 -108.39124 -105.07831 3.31293 1.99885 -104.88767 536.83655
5515.0000 -108.27417 -105.49051 2.78366 1.96905 -105.25903 526.32452
5520.0000 -108.26052 -105.45960 2.80092 1.96073 -105.36277 490.66965
5525.0000 -108.84297 -106.31202 2.53096 1.94950 -105.50264 485.76419
5530.0000 -109.12155 -106.57900 2.54255 1.86172 -106.59673 416.32086
5535.0000 -109.01419 -105.97932 3.03488 1.90228 -106.09116 458.38006
5540.0000 -108.38438 -105.88479 2.49959 1.89707 -106.15619 462.99146
5545.0000 -109.18370 -106.55135 2.63234 1.88414 -106.31728 437.27376
5550.0000 -108.75283 -105.65053 3.10230 1.91830 -105.89148 488.42570
5555.0000 -108.04405 -105.30503 2.73902 1.95528 -105.43068 493.42510
5560.0000 -107.86199 -104.88521 2.97679 1.99358 -104.95332 529.68893
5565.0000 -108.06979 -105.58706 2.48273 1.97597 -105.17275 523.46858
5570.0000 -108.62356 -105.49955 3.12401 1.98597 -105.04813 525.84527
5575.0000 -108.22743 -105.95335 2.27407 1.94673 -105.53719 465.01825
5580.0000 -108.74601 -106.06659 2.67943 1.90436 -106.06532 444.29946
5585.0000 -108.42090 -105.59502 2.82588 1.92888 -105.75962 470.00919
5590.0000 -108.34592 -105.28905 3.05687 1.92366 -105.82473 468.41105
5595.0000 -108.00974 -105.06176 2.94799 1.99884 -104.88772 527.56852
5600.0000 -107.53068 -104.89329 2.63739 1.98321 -105.08255 497.40654
5605.0000 -108.10029 -105.43977 2.66052 1.97574 -105.17569 503.51758
5610.0000 -107.99467 -104.86529 3.12938 1.93358 -105.70111 435.27724
5615.0000 -107.29354 -104.17494 3.11860 2.05278 -104.21546 592.36481
5620.0000 -107.77259 -104.85087 2.92171 2.02978 -104.50211 549.21913
5625.0000 -108.18015 -105.38913 2.79102 1.99686 -104.91239 523.94088
5630.0000 -108.49894 -105.84068 2.65826 1.95254 -105.46484 478.46408
5635.0000 -107.90373 -104.55693 3.34681 1.99011 -104.99654 516.97526
5640.0000 -107.79388 -104.93444 2.85943 1.97724 -105.15698 523.79951
5645.0000 -108.46551 -105.61560 2.84991 1.97441 -105.19225 534.14880
5650.0000 -108.54142 -105.74559 2.79583 1.95745 -105.40363 489.11799
5655.0000 -108.25724 -105.74006 2.51718 1.93258 -105.71356 462.32159
5660.0000 -108.46961 -105.87551 2.59410 1.93491 -105.68455 469.79737
5665.0000 -108.96878 -105.40244 3.56633 1.93363 -105.70047 492.77344
5670.0000 -108.22006 -105.69634 2.52372 1.94023 -105.61819 493.50107
5675.0000 -108.33460 -105.29700 3.03760 1.93233 -105.71671 475.53718
5680.0000 -108.81404 -105.80103 3.01301 1.96670 -105.28827 515.38442
5685.0000 -108.76513 -105.71099 3.05414 1.91767 -105.89943 475.16494
5690.0000 -108.38025 -105.57655 2.80370 1.93505 -105.68276 508.56594
5695.0000 -107.93343 -105.23414 2.69928 1.96777 -105.27497 498.70129
5700.0000 -108.25541 -105.22539 3.03002 1.98539 -105.05543 517.50430
5705.0000 -108.40288 -105.95187 2.45102 1.93684 -105.66050 475.94818
5710.0000 -108.53390 -105.66338 2.87052 1.93566 -105.67511 484.82627
5715.0000 -108.59735 -106.20176 2.39559 1.93914 -105.63181 515.33717
5720.0000 -109.01605 -106.60737 2.40869 1.91534 -105.92844 496.08547
5725.0000 -109.30435 -106.74561 2.55874 1.85432 -106.68892 435.86159
5730.0000 -108.65663 -105.92396 2.73267 1.85844 -106.63762 439.48810
5735.0000 -109.41320 -106.67648 2.73672 1.89470 -106.18565 486.79914
5740.0000 -108.88221 -106.61486 2.26735 1.86514 -106.55412 447.54098
5745.0000 -108.67237 -106.59875 2.07362 1.85884 -106.63257 439.19688
5750.0000 -108.40042 -105.69513 2.70529 1.93714 -105.65674 483.70183
FREEZING PROCESS: loop number 24 T-loop= 475.00000000000000
main_MD> interactions number 24 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66329 1.44872 2.38359
force_rgl> df(natom) 0.39418 3.44353 0.15743
5755.0000 -108.43852 -104.97523 3.46329 1.98517 -105.05805 528.06079
5760.0000 -108.30951 -105.32588 2.98363 1.95522 -105.43138 497.28551
5765.0000 -108.30220 -104.98247 3.31974 1.99941 -104.88068 547.26262
5770.0000 -107.45661 -105.69897 1.75764 1.93828 -105.64251 461.69580
5775.0000 -108.80402 -106.10091 2.70311 1.92640 -105.79056 444.28533
5780.0000 -109.20468 -106.22173 2.98295 1.89202 -106.21910 443.87864
5785.0000 -108.32096 -105.56302 2.75794 1.92254 -105.83869 483.43702
5790.0000 -107.62820 -105.41512 2.21308 1.96091 -105.36042 488.23469
5795.0000 -107.80547 -105.10066 2.70481 1.97123 -105.23188 487.75332
5800.0000 -109.19276 -106.31922 2.87354 1.91286 -105.95931 458.00791
5805.0000 -108.66103 -106.32989 2.33114 1.92667 -105.78721 482.25825
5810.0000 -108.77980 -106.05660 2.72320 1.87888 -106.38283 434.45094
5815.0000 -108.86496 -106.57736 2.28760 1.88037 -106.36432 429.31435
5820.0000 -108.33265 -105.87230 2.46035 1.88096 -106.35692 436.46886
5825.0000 -107.94080 -105.51261 2.42819 1.92266 -105.83715 477.76406
5830.0000 -108.75919 -105.35530 3.40388 1.94059 -105.61375 460.91289
5835.0000 -108.77439 -106.23377 2.54062 1.91854 -105.88849 461.81179
5840.0000 -108.58289 -106.20464 2.37825 1.89388 -106.19587 446.66889
5845.0000 -108.75384 -106.28662 2.46722 1.90169 -106.09855 454.23448
5850.0000 -108.38387 -105.63114 2.75273 1.90310 -106.08097 452.70280
5855.0000 -108.66365 -106.48603 2.17762 1.88244 -106.33842 426.28756
5860.0000 -108.91431 -106.01788 2.89643 1.88410 -106.31775 426.22840
5865.0000 -109.23645 -106.16469 3.07176 1.87810 -106.39251 436.84936
5870.0000 -108.69590 -105.93924 2.75667 1.90735 -106.02804 445.60943
5875.0000 -108.05759 -104.74569 3.31190 1.96556 -105.30250 508.83568
5880.0000 -108.47264 -105.47761 2.99503 1.94276 -105.58663 492.51033
5885.0000 -108.15609 -105.41879 2.73730 1.96142 -105.35415 495.59711
5890.0000 -108.36423 -104.73089 3.63334 1.97299 -105.20998 522.05628
5895.0000 -108.23147 -105.32586 2.90562 1.97595 -105.17306 529.80695
5900.0000 -107.89319 -104.07523 3.81796 1.97237 -105.21768 520.08327
5905.0000 -108.12779 -105.12799 2.99980 1.98067 -105.11425 521.73777
5910.0000 -108.26612 -105.59566 2.67045 1.93871 -105.63721 492.25620
5915.0000 -107.94100 -105.34818 2.59282 1.95334 -105.45478 503.53977
5920.0000 -108.40553 -105.42506 2.98047 1.97746 -105.15424 530.26322
5925.0000 -108.45609 -106.20449 2.25160 1.94779 -105.52404 500.63390
5930.0000 -108.37070 -105.61651 2.75419 1.90700 -106.03243 461.81446
5935.0000 -107.89549 -105.38777 2.50772 1.93909 -105.63238 487.42906
5940.0000 -107.79177 -104.65933 3.13244 1.96134 -105.35511 500.79396
5945.0000 -108.06371 -105.80336 2.26036 1.97696 -105.16041 500.28550
5950.0000 -108.31086 -105.30516 3.00571 1.94105 -105.60804 472.98194
5955.0000 -108.55809 -105.37281 3.18529 1.94833 -105.51731 487.52354
5960.0000 -108.34171 -106.08684 2.25487 1.94228 -105.59266 504.58994
5965.0000 -108.79173 -106.09666 2.69507 1.90447 -106.06392 455.46784
5970.0000 -107.77104 -105.27502 2.49601 1.91096 -105.98308 463.45177
5975.0000 -107.93100 -105.00760 2.92340 1.99549 -104.92945 529.82779
5980.0000 -108.41334 -105.47299 2.94035 1.93934 -105.62932 494.81149
5985.0000 -108.57888 -105.83902 2.73986 1.94417 -105.56914 473.52083
5990.0000 -108.43401 -106.11509 2.31893 1.91416 -105.94311 451.25471
5995.0000 -108.60519 -106.65875 1.94643 1.89961 -106.12453 446.24719
6000.0000 -108.22743 -105.71849 2.50894 1.89660 -106.16200 450.47104
FREEZING PROCESS: loop number 25 T-loop= 450.00000000000000
main_MD> interactions number 25 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93651 -5.28412 -2.87012
force_rgl> df(natom) -3.13994 -0.30314 0.16410
6005.0000 -108.90257 -106.15142 2.75115 1.89377 -106.19728 444.38105
6010.0000 -108.20403 -105.71244 2.49158 1.89684 -106.15897 435.91373
6015.0000 -108.43424 -106.04173 2.39251 1.91635 -105.91582 477.39181
6020.0000 -109.11246 -106.55505 2.55741 1.86972 -106.49698 427.29565
6025.0000 -109.31437 -106.14693 3.16744 1.88769 -106.27301 442.64413
6030.0000 -107.41534 -104.90117 2.51417 1.91647 -105.91438 482.61088
6035.0000 -108.27812 -105.75175 2.52637 1.96282 -105.33672 518.62834
6040.0000 -108.24719 -105.95615 2.29104 1.89524 -106.17889 423.76144
6045.0000 -109.24182 -106.66719 2.57463 1.89982 -106.12184 446.31735
6050.0000 -108.68428 -106.36350 2.32078 1.85684 -106.65748 419.60681
6055.0000 -108.63299 -106.27821 2.35478 1.85702 -106.65527 416.17011
6060.0000 -108.12693 -105.33195 2.79498 1.90245 -106.08902 450.70664
6065.0000 -108.24052 -105.42741 2.81312 1.94233 -105.59207 485.04872
6070.0000 -107.92281 -105.46324 2.45957 1.94200 -105.59611 486.80044
6075.0000 -108.10451 -105.87261 2.23189 1.95905 -105.38361 503.72587
6080.0000 -108.92628 -105.52864 3.39764 1.95118 -105.48168 483.61960
6085.0000 -108.62887 -106.17976 2.44911 1.91300 -105.95762 465.92073
6090.0000 -108.54422 -105.91957 2.62465 1.90923 -106.00462 470.46473
6095.0000 -109.11546 -106.65070 2.46476 1.88355 -106.32470 442.59809
6100.0000 -108.79440 -106.79056 2.00384 1.83508 -106.92871 383.04030
6105.0000 -108.26767 -106.00951 2.25816 1.85916 -106.62861 412.86057
6110.0000 -108.70243 -106.61508 2.08734 1.88830 -106.26542 411.37225
6115.0000 -108.79244 -106.26511 2.52733 1.87173 -106.47191 449.96473
6120.0000 -108.07640 -105.69844 2.37795 1.94289 -105.58503 523.07384
6125.0000 -108.40875 -105.57137 2.83738 1.92466 -105.81223 486.19365
6130.0000 -109.13497 -106.23298 2.90200 1.91434 -105.94093 450.76674
6135.0000 -108.60378 -105.72247 2.88131 1.90176 -106.09767 464.05131
6140.0000 -108.60878 -106.06072 2.54806 1.91493 -105.93355 464.18462
6145.0000 -108.41150 -106.41034 2.00116 1.90608 -106.04381 451.24633
6150.0000 -109.19654 -106.88502 2.31152 1.86907 -106.50513 419.79504
6155.0000 -108.66599 -106.45221 2.21378 1.85093 -106.73116 393.71596
6160.0000 -109.23110 -106.86908 2.36202 1.88776 -106.27221 440.36703
6165.0000 -108.76340 -106.00097 2.76243 1.87643 -106.41343 419.94199
6170.0000 -109.00648 -106.91834 2.08814 1.87599 -106.41882 423.85925
6175.0000 -108.42377 -106.29456 2.12921 1.86290 -106.58204 416.92398
6180.0000 -108.66598 -106.56651 2.09947 1.87287 -106.45778 434.74590
6185.0000 -109.25037 -106.57338 2.67698 1.85929 -106.62701 419.61091
6190.0000 -108.89808 -106.24383 2.65425 1.86905 -106.50542 419.43335
6195.0000 -108.57372 -105.88706 2.68666 1.90367 -106.07383 456.43280
6200.0000 -108.19851 -106.03654 2.16197 1.94367 -105.57540 489.86483
6205.0000 -108.84081 -105.96489 2.87592 1.90477 -106.06012 450.28740
6210.0000 -107.95768 -105.70430 2.25338 1.91889 -105.88422 457.70267
6215.0000 -107.62169 -104.91888 2.70280 1.96407 -105.32109 496.89553
6220.0000 -108.27690 -105.74709 2.52981 1.91595 -105.92077 455.47017
6225.0000 -107.68807 -105.30811 2.37996 1.93034 -105.74148 456.05122
6230.0000 -109.06219 -106.46964 2.59256 1.94326 -105.58049 478.61276
6235.0000 -108.95080 -106.39347 2.55732 1.87475 -106.43434 422.49656
6240.0000 -108.12229 -105.62103 2.50126 1.91624 -105.91726 461.41015
6245.0000 -108.78072 -106.00288 2.77784 1.92981 -105.74807 473.17756
6250.0000 -108.77066 -105.97516 2.79550 1.92444 -105.81496 475.36560
FREEZING PROCESS: loop number 26 T-loop= 425.00000000000000
main_MD> interactions number 26 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16230 -0.93932 -1.86334
force_rgl> df(natom) 0.09070 1.75802 0.47649
6255.0000 -108.68171 -106.22650 2.45520 1.91757 -105.90066 469.31347
6260.0000 -108.35224 -105.76905 2.58319 1.88940 -106.25170 463.52685
6265.0000 -109.22979 -106.65378 2.57601 1.86630 -106.53967 448.96165
6270.0000 -109.46825 -106.79847 2.66978 1.84816 -106.76575 425.13604
6275.0000 -108.65011 -106.60497 2.04514 1.82484 -107.05637 407.23857
6280.0000 -108.73022 -105.93835 2.79187 1.89984 -106.12164 483.18135
6285.0000 -108.95797 -106.22311 2.73486 1.87739 -106.40136 450.02251
6290.0000 -108.92797 -106.05678 2.87119 1.90376 -106.07278 488.85633
6295.0000 -109.59063 -107.27397 2.31667 1.86160 -106.59825 462.06466
6300.0000 -109.73265 -107.65313 2.07952 1.79809 -107.38980 393.20021
6305.0000 -109.40071 -107.35127 2.04943 1.80397 -107.31645 392.64099
6310.0000 -109.35962 -107.51452 1.84510 1.78837 -107.51090 368.78343
6315.0000 -108.92095 -106.81133 2.10962 1.81100 -107.22884 386.91425
6320.0000 -109.43961 -107.32204 2.11758 1.82435 -107.06250 394.87608
6325.0000 -109.09609 -106.81676 2.27933 1.81725 -107.15102 409.92747
6330.0000 -109.00359 -106.26769 2.73590 1.85067 -106.73449 439.99029
6335.0000 -109.55172 -107.09876 2.45296 1.85366 -106.69721 447.47346
6340.0000 -109.03660 -106.79989 2.23671 1.84264 -106.83451 426.28781
6345.0000 -109.25974 -107.06761 2.19213 1.83183 -106.96928 418.17631
6350.0000 -109.47297 -106.97996 2.49300 1.84936 -106.75078 442.12939
6355.0000 -109.34699 -106.83022 2.51678 1.83102 -106.97934 414.99537
6360.0000 -109.83091 -107.52763 2.30327 1.81338 -107.19920 406.49673
6365.0000 -109.51617 -107.43708 2.07909 1.80179 -107.34367 389.97506
6370.0000 -109.63463 -107.43525 2.19939 1.81546 -107.17328 379.66607
6375.0000 -109.04237 -106.55772 2.48465 1.84036 -106.86299 411.27501
6380.0000 -109.20054 -106.98879 2.21174 1.86673 -106.53428 425.67941
6385.0000 -109.18307 -106.60117 2.58190 1.84151 -106.84857 395.10447
6390.0000 -108.96541 -106.45450 2.51091 1.86270 -106.58455 415.68147
6395.0000 -108.18841 -106.10959 2.07881 1.88493 -106.30750 434.39671
6400.0000 -108.88262 -106.62957 2.25304 1.88385 -106.32089 424.85589
6405.0000 -108.71182 -106.18859 2.52323 1.85802 -106.64282 414.33046
6410.0000 -108.79057 -106.93906 1.85151 1.88195 -106.34455 418.62167
6415.0000 -108.20056 -106.16147 2.03910 1.87953 -106.37476 428.86772
6420.0000 -109.17504 -106.66103 2.51400 1.88443 -106.31373 435.77808
6425.0000 -109.02585 -106.66378 2.36207 1.83279 -106.95728 382.18005
6430.0000 -108.83490 -106.42715 2.40775 1.86994 -106.49422 417.68608
6435.0000 -109.04115 -106.34921 2.69194 1.86896 -106.50644 440.35409
6440.0000 -108.31771 -105.53686 2.78085 1.92425 -105.81734 481.91571
6445.0000 -109.03776 -106.44496 2.59279 1.93029 -105.74211 458.18571
6450.0000 -108.69209 -106.39738 2.29471 1.86902 -106.50579 418.03212
6455.0000 -108.85279 -106.31169 2.54111 1.88543 -106.30121 439.97255
6460.0000 -109.24985 -106.67698 2.57287 1.87995 -106.36952 431.18756
6465.0000 -108.94876 -106.27572 2.67304 1.89531 -106.17805 438.31397
6470.0000 -108.01366 -105.58842 2.42524 1.91382 -105.94732 444.75818
6475.0000 -108.96910 -106.49875 2.47035 1.92226 -105.84216 459.18893
6480.0000 -109.45498 -107.38814 2.06684 1.83926 -106.87660 389.00709
6485.0000 -108.54778 -106.39045 2.15733 1.84997 -106.74317 416.91567
6490.0000 -109.22479 -106.88647 2.33832 1.86680 -106.53334 432.56357
6495.0000 -109.24280 -107.07563 2.16717 1.83370 -106.94598 400.13676
6500.0000 -109.29731 -107.18667 2.11064 1.81845 -107.13596 375.71348
FREEZING PROCESS: loop number 27 T-loop= 400.00000000000000
main_MD> interactions number 27 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.45493 -2.48947 0.88503
force_rgl> df(natom) 1.22597 -0.33065 0.91025
6505.0000 -109.72783 -107.66718 2.06065 1.79797 -107.39128 353.16402
6510.0000 -109.82057 -107.73637 2.08420 1.76680 -107.77972 330.38972
6515.0000 -109.69216 -107.46405 2.22811 1.76933 -107.74822 333.52614
6520.0000 -109.18132 -106.89992 2.28140 1.85222 -106.71518 415.88563
6525.0000 -109.23065 -106.07376 3.15689 1.87193 -106.46949 437.74934
6530.0000 -109.33255 -106.94191 2.39064 1.85792 -106.64401 429.82076
6535.0000 -108.58098 -105.74887 2.83211 1.90946 -106.00174 479.54099
6540.0000 -109.33353 -106.84651 2.48702 1.90102 -106.10696 463.59029
6545.0000 -109.66068 -107.97110 1.68958 1.80610 -107.28993 396.43672
6550.0000 -109.60272 -107.40953 2.19319 1.78332 -107.57384 368.67617
6555.0000 -109.64977 -107.44849 2.20128 1.79127 -107.47472 382.13190
6560.0000 -109.01528 -106.93273 2.08255 1.81091 -107.22994 369.26531
6565.0000 -108.97927 -106.46326 2.51601 1.87522 -106.42847 411.27647
6570.0000 -109.37506 -107.15227 2.22279 1.86881 -106.50832 417.42479
6575.0000 -109.27644 -106.92532 2.35112 1.81207 -107.21550 355.59689
6580.0000 -108.64814 -106.73946 1.90868 1.82054 -107.10993 375.39169
6585.0000 -109.35888 -107.08839 2.27049 1.84510 -106.80390 404.49569
6590.0000 -109.16592 -106.21021 2.95572 1.86937 -106.50140 443.56281
6595.0000 -108.56567 -105.86222 2.70345 1.87363 -106.44826 424.48679
6600.0000 -108.82490 -106.27257 2.55233 1.90163 -106.09929 447.95511
6605.0000 -108.61220 -106.31847 2.29373 1.90515 -106.05541 443.17492
6610.0000 -108.74868 -105.90375 2.84493 1.86036 -106.61373 415.29632
6615.0000 -108.77282 -105.63111 3.14171 1.92102 -105.85768 468.42109
6620.0000 -108.46885 -106.03974 2.42911 1.88858 -106.26194 432.67400
6625.0000 -109.01494 -106.61669 2.39825 1.87783 -106.39593 411.60291
6630.0000 -108.93855 -106.74078 2.19778 1.83588 -106.91880 385.33978
6635.0000 -108.59501 -106.28315 2.31186 1.85532 -106.67653 404.38662
6640.0000 -108.29804 -106.06491 2.23313 1.90512 -106.05582 455.22480
6645.0000 -108.95317 -106.66873 2.28444 1.89767 -106.14869 433.41249
6650.0000 -109.10625 -106.87247 2.23379 1.84531 -106.80122 394.25814
6655.0000 -108.78905 -106.38184 2.40721 1.85918 -106.62837 392.45555
6660.0000 -108.19709 -105.98982 2.20727 1.89749 -106.15093 425.93385
6665.0000 -108.83846 -106.35376 2.48470 1.88812 -106.26763 423.26065
6670.0000 -109.09103 -106.40323 2.68780 1.87467 -106.43536 429.96979
6675.0000 -109.24963 -106.55774 2.69189 1.86833 -106.51430 427.45868
6680.0000 -108.93486 -106.53369 2.40118 1.88208 -106.34291 433.43083
6685.0000 -108.67777 -106.47895 2.19882 1.86429 -106.56463 403.63313
6690.0000 -109.04423 -106.56811 2.47611 1.87290 -106.45732 395.37259
6695.0000 -108.69520 -106.29009 2.40512 1.87722 -106.40353 410.52557
6700.0000 -108.88755 -106.82803 2.05952 1.88955 -106.24985 434.88475
6705.0000 -108.87440 -106.70161 2.17279 1.84743 -106.77477 400.48454
6710.0000 -108.79668 -106.90041 1.89626 1.85707 -106.65472 404.39512
6715.0000 -109.13248 -106.96879 2.16369 1.82843 -107.01161 385.71035
6720.0000 -108.84497 -106.71294 2.13203 1.83923 -106.87699 407.21639
6725.0000 -108.66391 -106.10352 2.56039 1.83536 -106.92521 399.36870
6730.0000 -109.15212 -106.59516 2.55696 1.86628 -106.53983 406.91704
6735.0000 -108.99224 -106.41117 2.58108 1.85161 -106.72266 398.68319
6740.0000 -108.72409 -106.40383 2.32026 1.87704 -106.40582 430.61253
6745.0000 -109.58771 -107.16968 2.41803 1.84198 -106.84268 406.26040
6750.0000 -109.52832 -106.70666 2.82166 1.82620 -107.03939 366.14421
FREEZING PROCESS: loop number 28 T-loop= 375.00000000000000
main_MD> interactions number 28 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40031 1.11711 3.27062
force_rgl> df(natom) -0.51952 -1.28060 -0.03455
6755.0000 -109.27941 -107.23388 2.04553 1.84847 -106.76187 407.87735
6760.0000 -108.62058 -106.38697 2.23360 1.84498 -106.80535 383.10613
6765.0000 -109.05400 -106.92514 2.12887 1.85065 -106.73469 390.93114
6770.0000 -109.66648 -107.79181 1.87467 1.80591 -107.29225 363.44777
6775.0000 -109.75848 -107.90971 1.84877 1.75263 -107.95628 317.17685
6780.0000 -109.41375 -107.72365 1.69010 1.78916 -107.50112 351.98489
6785.0000 -109.87084 -107.86154 2.00930 1.77686 -107.65440 342.60606
6790.0000 -109.43781 -107.30508 2.13273 1.78722 -107.52526 340.99876
6795.0000 -109.19075 -106.79445 2.39630 1.81746 -107.14830 364.03616
6800.0000 -109.63756 -107.16237 2.47519 1.85579 -106.67067 435.71446
6805.0000 -110.16274 -107.77050 2.39224 1.77908 -107.62675 378.78500
6810.0000 -109.73871 -107.49440 2.24431 1.78723 -107.52506 384.46330
6815.0000 -110.18282 -108.27515 1.90767 1.77735 -107.64828 376.14834
6820.0000 -110.42084 -108.06377 2.35707 1.75376 -107.94223 349.55165
6825.0000 -110.14810 -107.37082 2.77728 1.79099 -107.47820 390.48627
6830.0000 -109.80272 -107.57289 2.22983 1.77566 -107.66933 372.73372
6835.0000 -110.05324 -108.22370 1.82954 1.78393 -107.56626 380.26853
6840.0000 -109.35846 -107.69767 1.66079 1.74904 -108.00112 345.65022
6845.0000 -109.80961 -107.46954 2.34008 1.77633 -107.66102 373.89938
6850.0000 -109.82657 -107.92141 1.90515 1.78443 -107.55995 385.04737
6855.0000 -110.17599 -107.56408 2.61191 1.76680 -107.77971 365.96839
6860.0000 -109.47649 -107.45358 2.02291 1.78071 -107.60640 380.02501
6865.0000 -109.58754 -107.55266 2.03488 1.76958 -107.74514 364.37108
6870.0000 -110.01875 -107.92974 2.08901 1.77631 -107.66116 376.11060
6875.0000 -109.89899 -107.75775 2.14123 1.77257 -107.70786 369.98200
6880.0000 -110.23845 -108.10055 2.13790 1.77996 -107.61568 377.08465
6885.0000 -108.87338 -106.42695 2.44643 1.77865 -107.63202 376.94441
6890.0000 -109.68285 -107.60900 2.07385 1.81438 -107.18674 410.18957
6895.0000 -108.79488 -106.55891 2.23597 1.82133 -107.10007 420.75255
6900.0000 -109.74825 -107.14378 2.60447 1.84474 -106.80831 436.23880
6905.0000 -110.25381 -108.06922 2.18459 1.77349 -107.69632 376.98132
6910.0000 -110.31428 -108.15613 2.15815 1.75593 -107.91517 353.11459
6915.0000 -109.74941 -107.57711 2.17231 1.77659 -107.65769 369.38671
6920.0000 -109.63959 -107.23347 2.40611 1.81798 -107.14191 413.50257
6925.0000 -109.20176 -106.80624 2.39551 1.84417 -106.81550 416.94565
6930.0000 -109.28247 -106.66798 2.61449 1.85041 -106.73763 434.09358
6935.0000 -109.18098 -107.07400 2.10698 1.85965 -106.62251 434.11353
6940.0000 -109.60793 -107.52978 2.07815 1.82661 -107.03430 407.30031
6945.0000 -110.10661 -107.93679 2.16981 1.78256 -107.58327 370.91477
6950.0000 -109.74023 -107.44255 2.29769 1.77154 -107.72070 351.83769
6955.0000 -110.26720 -108.09122 2.17597 1.75002 -107.98886 342.86031
6960.0000 -109.74991 -107.73146 2.01845 1.75330 -107.94803 335.98341
6965.0000 -110.02168 -107.79754 2.22415 1.76568 -107.79372 340.18927
6970.0000 -109.50487 -107.36883 2.13604 1.77866 -107.63187 351.61340
6975.0000 -109.74820 -108.15907 1.58914 1.80206 -107.34026 379.01883
6980.0000 -109.66350 -107.73097 1.93253 1.76706 -107.77647 352.76172
6985.0000 -109.11252 -107.07578 2.03674 1.78758 -107.52069 361.52097
6990.0000 -109.16894 -107.53981 1.62913 1.81588 -107.16800 373.00372
6995.0000 -109.06623 -106.80321 2.26302 1.80671 -107.28234 369.79532
7000.0000 -108.71886 -106.42541 2.29345 1.86868 -106.50992 452.02853
FREEZING PROCESS: loop number 29 T-loop= 350.00000000000000
main_MD> interactions number 29 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.65262 -2.01336 2.34178
force_rgl> df(natom) 3.21186 -3.36409 -1.30469
7005.0000 -109.75320 -106.97281 2.78039 1.84336 -106.82548 400.60582
7010.0000 -109.60845 -107.55726 2.05119 1.81287 -107.20549 370.08459
7015.0000 -109.77400 -107.78397 1.99003 1.78920 -107.50050 341.75093
7020.0000 -109.71014 -107.72536 1.98478 1.77229 -107.71137 320.78588
7025.0000 -109.45625 -107.71497 1.74128 1.77616 -107.66312 325.41390
7030.0000 -109.35422 -107.54411 1.81011 1.77946 -107.62200 325.82420
7035.0000 -108.90502 -107.01364 1.89139 1.80933 -107.24971 353.50279
7040.0000 -109.42685 -107.15762 2.26923 1.83154 -106.97289 408.53296
7045.0000 -109.42557 -107.57064 1.85493 1.81116 -107.22690 393.80894
7050.0000 -109.86932 -107.97720 1.89212 1.75121 -107.97402 331.83390
7055.0000 -109.46194 -107.78623 1.67571 1.75745 -107.89632 338.77846
7060.0000 -109.92048 -108.50656 1.41392 1.72841 -108.25826 306.99880
7065.0000 -109.66953 -107.74914 1.92039 1.72481 -108.30308 315.06008
7070.0000 -109.77226 -108.04914 1.72312 1.74643 -108.03360 338.40611
7075.0000 -110.06605 -107.84913 2.21691 1.74814 -108.01229 336.44298
7080.0000 -110.28805 -108.44743 1.84062 1.72964 -108.24287 316.45048
7085.0000 -109.94717 -108.02028 1.92689 1.71994 -108.36375 306.12393
7090.0000 -109.57310 -107.33793 2.23517 1.74698 -108.02682 344.10907
7095.0000 -110.15963 -108.11299 2.04664 1.78054 -107.60851 361.85533
7100.0000 -110.14541 -107.98742 2.15799 1.76157 -107.84490 348.55188
7105.0000 -110.16913 -108.41488 1.75425 1.71534 -108.42104 302.62148
7110.0000 -110.01058 -107.97067 2.03991 1.73782 -108.14089 319.66771
7115.0000 -109.94910 -107.96149 1.98760 1.74436 -108.05937 334.69962
7120.0000 -109.94866 -107.87292 2.07574 1.75569 -107.91817 342.23469
7125.0000 -109.21463 -107.53386 1.68077 1.76557 -107.79506 348.37754
7130.0000 -109.81964 -107.70570 2.11394 1.78352 -107.57140 364.22938
7135.0000 -109.53975 -107.39760 2.14215 1.77801 -107.64003 365.64842
7140.0000 -109.28773 -107.56989 1.71784 1.79305 -107.45256 379.30294
7145.0000 -109.54840 -107.39628 2.15212 1.77206 -107.71420 363.61056
7150.0000 -110.12250 -107.85615 2.26635 1.76543 -107.79679 359.75329
7155.0000 -109.81586 -107.95848 1.85737 1.75244 -107.95875 352.63070
7160.0000 -110.02911 -107.79237 2.23674 1.74894 -108.00235 335.87165
7165.0000 -109.95706 -107.95059 2.00647 1.75476 -107.92981 340.45361
7170.0000 -110.03191 -107.99787 2.03405 1.76204 -107.83912 354.44674
7175.0000 -109.59243 -107.80878 1.78366 1.75612 -107.91290 341.79056
7180.0000 -110.01457 -108.21007 1.80450 1.77355 -107.69561 358.09898
7185.0000 -109.91545 -107.66052 2.25493 1.76501 -107.80202 352.24565
7190.0000 -109.86861 -107.97101 1.89760 1.75954 -107.87025 348.08796
7195.0000 -110.17133 -108.16284 2.00849 1.74219 -108.08649 328.88350
7200.0000 -110.23332 -107.59389 2.63942 1.77459 -107.68271 357.07812
7205.0000 -109.98419 -107.82486 2.15933 1.77242 -107.70967 364.91538
7210.0000 -109.75830 -108.06031 1.69799 1.76919 -107.74991 358.33790
7215.0000 -109.95548 -107.86446 2.09101 1.75886 -107.87869 343.89891
7220.0000 -109.89623 -108.10894 1.78729 1.75283 -107.95386 339.50404
7225.0000 -109.77623 -108.02545 1.75077 1.73744 -108.14571 320.49308
7230.0000 -109.53562 -107.73908 1.79654 1.74214 -108.08704 328.99466
7235.0000 -109.76604 -107.62549 2.14055 1.78038 -107.61047 370.69343
7240.0000 -110.05317 -108.15432 1.89885 1.74692 -108.02757 337.19548
7245.0000 -109.90694 -107.99337 1.91357 1.74655 -108.03218 331.74561
7250.0000 -109.77699 -107.73964 2.03735 1.74674 -108.02979 333.75199
FREEZING PROCESS: loop number 30 T-loop= 325.00000000000000
main_MD> interactions number 30 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.99095 2.22121 -3.73561
force_rgl> df(natom) -1.68363 -1.91534 0.54695
7255.0000 -110.14953 -108.19218 1.95735 1.76618 -107.78741 355.24011
7260.0000 -110.39842 -108.73155 1.66687 1.72248 -108.33207 307.28229
7265.0000 -110.50155 -108.88290 1.61865 1.67971 -108.86515 268.21156
7270.0000 -110.26963 -108.47385 1.79577 1.70113 -108.59823 283.35218
7275.0000 -110.24654 -108.46356 1.78298 1.71113 -108.47358 297.86723
7280.0000 -110.07311 -107.94560 2.12751 1.73979 -108.11637 330.29803
7285.0000 -109.63033 -108.33404 1.29629 1.75096 -107.97715 341.46308
7290.0000 -110.10396 -108.26841 1.83555 1.72308 -108.32459 314.19127
7295.0000 -110.18781 -107.76247 2.42534 1.73158 -108.21869 323.85417
7300.0000 -109.56711 -107.46760 2.09951 1.77922 -107.62489 365.15639
7305.0000 -109.67754 -107.82873 1.84881 1.76831 -107.76093 355.28411
7310.0000 -109.78069 -107.89590 1.88479 1.77127 -107.72406 361.77261
7315.0000 -110.26254 -108.68225 1.58029 1.71279 -108.45285 301.58740
7320.0000 -109.95069 -108.38225 1.56843 1.70343 -108.56952 288.26753
7325.0000 -109.93232 -108.12897 1.80335 1.71968 -108.36700 308.88757
7330.0000 -110.14121 -108.32998 1.81124 1.74176 -108.09178 331.39232
7335.0000 -109.84949 -107.93717 1.91232 1.73903 -108.12585 322.11652
7340.0000 -109.93945 -107.94395 1.99550 1.77179 -107.71755 360.47251
7345.0000 -109.74488 -107.61093 2.13395 1.75501 -107.92673 340.17818
7350.0000 -110.15969 -108.23545 1.92424 1.76775 -107.76795 354.86767
7355.0000 -110.14202 -108.04597 2.09605 1.73263 -108.20558 319.88197
7360.0000 -110.05552 -108.34060 1.71493 1.73573 -108.16700 327.62391
7365.0000 -109.81108 -108.19402 1.61706 1.73392 -108.18956 327.41508
7370.0000 -109.97244 -107.90083 2.07161 1.74732 -108.02257 334.42623
7375.0000 -109.67864 -107.50979 2.16885 1.74212 -108.08737 327.16086
7380.0000 -110.28909 -108.51604 1.77305 1.73816 -108.13663 323.26562
7385.0000 -109.93808 -108.26323 1.67485 1.73430 -108.18474 330.83021
7390.0000 -110.08662 -108.00118 2.08544 1.73163 -108.21811 315.61010
7395.0000 -110.14809 -108.24071 1.90739 1.73585 -108.16547 320.59902
7400.0000 -110.24254 -108.39136 1.85117 1.72764 -108.26774 314.57790
7405.0000 -110.08226 -108.58173 1.50053 1.72206 -108.33735 308.52442
7410.0000 -110.05198 -108.25933 1.79266 1.72539 -108.29582 314.57404
7415.0000 -110.23134 -108.26119 1.97015 1.70998 -108.48786 299.01680
7420.0000 -110.16574 -108.44393 1.72182 1.72251 -108.33179 310.14703
7425.0000 -109.71868 -108.12673 1.59195 1.72663 -108.28040 313.10941
7430.0000 -110.05913 -108.27850 1.78063 1.71968 -108.36698 307.14893
7435.0000 -110.08345 -108.54409 1.53937 1.71310 -108.44906 304.62472
7440.0000 -110.01692 -108.11109 1.90583 1.72331 -108.32182 316.28924
7445.0000 -109.35828 -107.26232 2.09596 1.77040 -107.73489 356.91915
7450.0000 -109.80248 -108.03353 1.76896 1.78160 -107.59532 350.30247
7455.0000 -110.01873 -107.96845 2.05028 1.74648 -108.03305 333.46349
7460.0000 -110.14702 -108.51004 1.63699 1.71944 -108.36998 307.41774
7465.0000 -110.16915 -108.39081 1.77833 1.71223 -108.45985 301.46236
7470.0000 -110.35696 -109.09731 1.25966 1.69048 -108.73091 278.39382
7475.0000 -110.04739 -108.12986 1.91754 1.72777 -108.26616 316.05846
7480.0000 -110.26743 -108.30673 1.96070 1.73312 -108.19952 318.87449
7485.0000 -110.16812 -108.52139 1.64672 1.72226 -108.33488 308.14407
7490.0000 -110.26112 -108.69779 1.56333 1.71073 -108.47850 294.19478
7495.0000 -110.13464 -108.15929 1.97535 1.70390 -108.56363 288.24639
7500.0000 -110.23216 -108.25694 1.97522 1.74721 -108.02393 330.93988
FREEZING PROCESS: loop number 31 T-loop= 300.00000000000000
main_MD> interactions number 31 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14816 -0.27069 -0.73812
force_rgl> df(natom) 2.19521 1.14470 2.60253
7505.0000 -110.13708 -108.41634 1.72073 1.72974 -108.24166 322.62228
7510.0000 -110.31712 -108.92647 1.39065 1.69955 -108.61791 289.54686
7515.0000 -110.60861 -108.70504 1.90357 1.66498 -109.04881 254.72506
7520.0000 -110.05681 -108.41092 1.64589 1.71215 -108.46087 301.30271
7525.0000 -109.94119 -108.38713 1.55406 1.72231 -108.33428 308.53688
7530.0000 -110.29318 -108.98805 1.30514 1.68952 -108.74295 278.50032
7535.0000 -110.17915 -108.60113 1.57802 1.69387 -108.68864 278.72617
7540.0000 -110.14445 -108.69243 1.45202 1.68432 -108.80772 272.99603
7545.0000 -110.30660 -108.70420 1.60241 1.72501 -108.30052 310.65313
7550.0000 -110.22037 -108.46437 1.75600 1.71305 -108.44966 298.46446
7555.0000 -110.13100 -108.58190 1.54910 1.72613 -108.28659 305.90477
7560.0000 -110.34001 -109.00612 1.33389 1.68949 -108.74329 271.53047
7565.0000 -110.19017 -108.91535 1.27482 1.66650 -109.02978 249.65452
7570.0000 -110.01283 -108.63130 1.38153 1.68761 -108.76666 282.47256
7575.0000 -109.91258 -108.24027 1.67231 1.71685 -108.40231 299.32388
7580.0000 -110.64944 -108.73206 1.91738 1.71233 -108.45868 307.34222
7585.0000 -110.03647 -108.57681 1.45966 1.70561 -108.54234 293.00824
7590.0000 -109.63537 -108.17765 1.45772 1.71800 -108.38790 309.13705
7595.0000 -110.05033 -108.42707 1.62326 1.73990 -108.11500 320.35252
7600.0000 -110.47869 -108.55009 1.92859 1.69963 -108.61689 285.27521
7605.0000 -110.29447 -108.76216 1.53232 1.68995 -108.73750 270.24228
7610.0000 -110.52806 -108.94911 1.57895 1.70962 -108.49237 292.94168
7615.0000 -110.40758 -108.81990 1.58768 1.67318 -108.94652 255.97948
7620.0000 -110.15520 -108.63188 1.52333 1.68935 -108.74497 271.83707
7625.0000 -110.64057 -109.02411 1.61646 1.68829 -108.75827 270.50775
7630.0000 -110.26257 -108.41337 1.84920 1.68574 -108.79004 268.99586
7635.0000 -110.03603 -108.55423 1.48180 1.71373 -108.44122 308.87812
7640.0000 -109.92444 -108.26855 1.65589 1.72085 -108.35238 310.85208
7645.0000 -110.10077 -108.29643 1.80434 1.72575 -108.29136 318.62316
7650.0000 -110.32622 -108.81900 1.50722 1.70020 -108.60985 281.65517
7655.0000 -110.35949 -108.69388 1.66561 1.69691 -108.65081 285.26140
7660.0000 -110.03837 -107.74781 2.29055 1.73199 -108.21356 323.55149
7665.0000 -110.18940 -108.22475 1.96464 1.75542 -107.92154 345.61749
7670.0000 -110.01134 -108.34402 1.66732 1.72718 -108.27357 316.39382
7675.0000 -110.23725 -108.79187 1.44538 1.69126 -108.72124 266.82275
7680.0000 -110.26502 -108.72854 1.53648 1.68834 -108.75758 276.87915
7685.0000 -110.05919 -108.30609 1.75310 1.71296 -108.45074 296.28874
7690.0000 -110.29649 -108.40065 1.89584 1.72356 -108.31867 308.79221
7695.0000 -110.11019 -108.84771 1.26248 1.70318 -108.57271 295.71327
7700.0000 -110.05746 -108.59040 1.46706 1.69360 -108.69210 277.29209
7705.0000 -110.21449 -108.70862 1.50588 1.71061 -108.48001 300.66642
7710.0000 -110.40629 -108.35562 2.05068 1.69241 -108.70685 280.15362
7715.0000 -110.23708 -108.76281 1.47428 1.70353 -108.56831 288.49676
7720.0000 -110.36760 -108.93405 1.43355 1.68843 -108.75647 273.69379
7725.0000 -110.24286 -108.40993 1.83293 1.70159 -108.59249 292.51265
7730.0000 -110.28555 -108.92353 1.36202 1.69149 -108.71841 280.16031
7735.0000 -110.09271 -108.64350 1.44921 1.68548 -108.79331 271.84354
7740.0000 -110.16894 -108.62765 1.54130 1.69348 -108.69357 279.92958
7745.0000 -110.18353 -108.66891 1.51462 1.69489 -108.67596 286.20634
7750.0000 -110.46071 -108.65915 1.80156 1.68479 -108.80181 269.31083
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 28.1992689 [s].
main_MD> Deallocating global variables
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