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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_98/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_98.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 = 98 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 98 9800
main_MD> Size of nv and nvoiz: 98 9800
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 = 98
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> 2.9717746975798900E-002 -1.5335490337499215E-002 4.8506182116709748E-002 initial drift of cluster / NP1 for coalescence
init> 0.30273165589740486 0.31561331899772666 0.29991974388029669 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6075269507523685E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67878 0.65191 -0.80223
force_rgl> df(natom) -1.86540 1.26964 0.39377
preparo> THERMALIZATION PROCESS AT 1123.8630981911360
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -222.36089780324460 11.941440722561763 -234.30233852580636 6.6386385026792041E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1104.0000000000000
main_MD> interactions number 1 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.12669 4.16020 7.86024
force_rgl> df(natom) 0.44334 0.09757 -0.30654
5.0000 -237.58800 -223.36577 14.22223 3.15127 -222.11615 1071.29816
10.0000 -236.85349 -224.97531 11.87818 3.06455 -223.95949 1038.52272
15.0000 -235.06993 -220.02312 15.04681 3.09115 -223.39417 999.40344
20.0000 -234.72903 -222.22505 12.50398 3.21925 -220.67128 1125.18608
25.0000 -234.65940 -219.69605 14.96335 3.20698 -220.93213 1131.91020
30.0000 -236.08963 -222.09753 13.99211 3.26283 -219.74497 1134.66887
35.0000 -237.76487 -222.26161 15.50326 3.13125 -222.54179 1087.40170
40.0000 -233.49729 -218.68575 14.81154 3.20318 -221.01289 1137.95526
45.0000 -238.31053 -223.72516 14.58537 3.22086 -220.63706 1134.16251
50.0000 -235.30296 -223.36382 11.93914 3.10353 -223.13099 1031.53047
55.0000 -237.86447 -223.59734 14.26713 3.09468 -223.31908 1059.94753
60.0000 -234.99103 -221.35759 13.63344 3.13164 -222.53343 1058.71063
65.0000 -234.19341 -220.68163 13.51178 3.21449 -220.77246 1133.52586
70.0000 -235.40467 -220.08144 15.32322 3.23071 -220.42762 1128.31736
75.0000 -235.41146 -220.65078 14.76068 3.15084 -222.12530 1111.43415
80.0000 -234.48727 -220.99931 13.48796 3.17982 -221.50940 1097.90147
85.0000 -236.03093 -222.85846 13.17247 3.15905 -221.95084 1093.28072
90.0000 -235.60151 -220.73880 14.86271 3.16177 -221.89300 1094.95991
95.0000 -236.13175 -220.47430 15.65745 3.22232 -220.60605 1133.44687
100.0000 -236.27426 -222.07884 14.19542 3.21027 -220.86206 1129.24184
105.0000 -235.82209 -222.28850 13.53359 3.14003 -222.35508 1082.96191
110.0000 -233.26125 -220.33285 12.92840 3.16857 -221.74846 1104.67018
115.0000 -235.05569 -219.51731 15.53839 3.23994 -220.23142 1127.82152
120.0000 -234.03963 -219.93090 14.10874 3.25844 -219.83815 1134.53080
125.0000 -234.90273 -220.40352 14.49921 3.31448 -218.64710 1162.96851
130.0000 -231.34526 -217.13146 14.21380 3.28107 -219.35716 1166.65152
135.0000 -234.82141 -219.98178 14.83962 3.32505 -218.42223 1189.33469
140.0000 -233.54009 -220.69208 12.84801 3.16746 -221.77200 1085.59450
145.0000 -234.46785 -221.41013 13.05772 3.21218 -220.82158 1119.59577
150.0000 -233.97128 -221.58671 12.38457 3.19898 -221.10200 1083.96537
155.0000 -236.07324 -223.24270 12.83054 3.15816 -221.96969 1068.37623
160.0000 -237.90071 -222.94041 14.96030 3.08277 -223.57223 1045.48877
165.0000 -235.40838 -221.59324 13.81513 3.11282 -222.93343 1070.61266
170.0000 -233.43938 -218.18612 15.25326 3.24598 -220.10298 1125.21304
175.0000 -234.67580 -221.83822 12.83758 3.22259 -220.60031 1120.32810
180.0000 -235.27125 -222.09997 13.17128 3.09742 -223.26095 1026.04661
185.0000 -238.10047 -224.33689 13.76358 3.11469 -222.89367 1041.45200
190.0000 -237.83705 -225.08506 12.75199 3.04420 -224.39211 1023.26738
195.0000 -235.89418 -222.70673 13.18744 3.11583 -222.86964 1065.33203
200.0000 -238.45274 -223.46648 14.98627 3.12374 -222.70132 1075.59776
205.0000 -234.60250 -216.79911 17.80339 3.21370 -220.78923 1111.62583
210.0000 -235.44970 -221.72022 13.72948 3.26861 -219.62192 1122.84962
215.0000 -232.81854 -220.74757 12.07097 3.20473 -220.97981 1096.39882
220.0000 -235.87599 -221.29758 14.57840 3.21232 -220.81851 1125.85021
225.0000 -238.24287 -223.49083 14.75204 3.15103 -222.12137 1104.86837
230.0000 -235.56569 -224.01437 11.55132 3.09394 -223.33474 1044.21575
235.0000 -237.42363 -221.17085 16.25278 3.16979 -221.72245 1111.12501
240.0000 -238.06479 -223.45143 14.61337 3.10708 -223.05557 1069.51772
245.0000 -235.47387 -220.39650 15.07737 3.13919 -222.37289 1098.32406
250.0000 -234.23982 -221.06012 13.17969 3.22312 -220.58902 1107.90156
FREEZING PROCESS: loop number 2 T-loop= 1079.0000000000000
main_MD> interactions number 2 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20724 -1.88521 0.76726
force_rgl> df(natom) 1.18000 2.47233 -0.09439
255.0000 -235.57609 -220.71941 14.85668 3.23738 -220.28582 1107.13925
260.0000 -234.62443 -222.55784 12.06659 3.18261 -221.45009 1087.12775
265.0000 -235.50556 -221.07843 14.42714 3.19498 -221.18702 1098.92929
270.0000 -234.67361 -220.34196 14.33164 3.16414 -221.84272 1105.85698
275.0000 -235.16246 -222.15618 13.00628 3.24039 -220.22194 1135.53590
280.0000 -236.65485 -220.79498 15.85988 3.16952 -221.72837 1088.27720
285.0000 -236.10395 -220.15463 15.94932 3.16362 -221.85376 1088.27556
290.0000 -232.54767 -219.31988 13.22779 3.24754 -220.06991 1113.12900
295.0000 -235.44961 -221.57274 13.87688 3.20406 -220.99412 1143.85545
300.0000 -236.15983 -221.18815 14.97168 3.21186 -220.82828 1109.76176
305.0000 -235.54932 -221.99371 13.55561 3.18183 -221.46666 1093.40706
310.0000 -235.76608 -221.95209 13.81398 3.16436 -221.83797 1057.90147
315.0000 -234.76537 -221.17447 13.59090 3.15311 -222.07710 1090.57687
320.0000 -234.88649 -220.32264 14.56386 3.25282 -219.95769 1131.86009
325.0000 -233.81037 -221.40527 12.40511 3.18684 -221.36004 1089.86999
330.0000 -236.91317 -223.14826 13.76492 3.13344 -222.49524 1052.38268
335.0000 -238.00842 -226.39975 11.60867 3.04614 -224.35095 1039.56192
340.0000 -237.56598 -223.99777 13.56821 3.01730 -224.96391 1007.88475
345.0000 -233.85172 -220.44670 13.40502 3.10575 -223.08375 1037.84836
350.0000 -236.21651 -222.26393 13.95259 3.18000 -221.50563 1075.20468
355.0000 -240.36372 -225.40220 14.96151 3.13350 -222.49403 1075.25384
360.0000 -236.65470 -222.14187 14.51283 3.07104 -223.82150 1056.38582
365.0000 -234.98775 -221.72590 13.26184 3.16492 -221.82603 1068.65492
370.0000 -233.30300 -219.34496 13.95805 3.20825 -220.90495 1099.23862
375.0000 -236.34998 -223.77040 12.57958 3.18259 -221.45039 1091.51054
380.0000 -237.07115 -223.81807 13.25308 3.11010 -222.99128 1067.55647
385.0000 -235.47047 -220.64273 14.82774 3.11605 -222.86476 1068.60287
390.0000 -235.72637 -222.67707 13.04930 3.26429 -219.71390 1156.18268
395.0000 -235.15586 -223.82103 11.33483 3.06176 -224.01890 1013.62684
400.0000 -237.34217 -224.08523 13.25694 3.07102 -223.82198 1021.82858
405.0000 -236.83816 -225.30289 11.53528 3.02946 -224.70534 999.98669
410.0000 -237.42427 -224.77500 12.64926 3.05906 -224.07626 1044.19350
415.0000 -236.32880 -222.38376 13.94504 3.08021 -223.62662 1048.72468
420.0000 -234.04130 -219.35050 14.69080 3.16225 -221.88280 1077.72898
425.0000 -235.97537 -220.04013 15.93524 3.27954 -219.38960 1152.46828
430.0000 -233.38289 -220.93526 12.44763 3.22692 -220.50821 1116.16848
435.0000 -237.08348 -222.98472 14.09875 3.15215 -222.09749 1081.28741
440.0000 -237.57610 -222.56798 15.00812 3.11280 -222.93386 1052.83334
445.0000 -238.23076 -223.90858 14.32218 3.07621 -223.71176 1027.26769
450.0000 -237.15843 -223.60839 13.55004 3.04760 -224.31983 1022.15625
455.0000 -233.55427 -219.51427 14.03999 3.20367 -221.00234 1129.17407
460.0000 -235.52620 -222.50051 13.02569 3.21864 -220.68412 1155.46191
465.0000 -235.01062 -221.22468 13.78594 3.14485 -222.25260 1076.01889
470.0000 -233.94971 -219.91644 14.03327 3.27819 -219.41834 1123.40571
475.0000 -235.23354 -220.06790 15.16564 3.22647 -220.51784 1137.94637
480.0000 -237.53092 -224.75466 12.77627 3.17828 -221.54200 1093.69424
485.0000 -235.42465 -221.67402 13.75064 3.05104 -224.24681 1024.00434
490.0000 -237.23359 -222.31303 14.92057 3.12656 -222.64147 1077.62542
495.0000 -235.08935 -222.56430 12.52505 3.17509 -221.61000 1080.99392
500.0000 -236.72718 -221.50567 15.22152 3.16597 -221.80372 1094.73639
FREEZING PROCESS: loop number 3 T-loop= 1054.0000000000000
main_MD> interactions number 3 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48872 2.23386 1.96723
force_rgl> df(natom) 1.02128 2.61475 0.67310
505.0000 -238.00765 -223.65675 14.35090 3.14264 -222.29970 1069.58331
510.0000 -235.80596 -221.87879 13.92717 3.10392 -223.12271 1055.92528
515.0000 -233.76724 -219.90363 13.86361 3.25421 -219.92808 1158.65053
520.0000 -237.23387 -224.49082 12.74304 3.14128 -222.32849 1104.94185
525.0000 -237.37220 -223.97596 13.39624 3.08047 -223.62113 1048.02837
530.0000 -237.07462 -223.28609 13.78853 3.08512 -223.52228 1045.55536
535.0000 -235.19896 -221.92932 13.26965 3.16056 -221.91882 1091.10511
540.0000 -233.84497 -217.96619 15.87878 3.27296 -219.52948 1133.89127
545.0000 -239.00424 -224.53876 14.46547 3.18539 -221.39091 1061.54504
550.0000 -237.12171 -222.61442 14.50729 3.09982 -223.20994 1040.55319
555.0000 -239.95422 -226.71295 13.24127 3.02555 -224.78860 993.18192
560.0000 -237.36433 -224.74852 12.61580 2.97744 -225.81114 950.69359
565.0000 -236.38935 -223.93334 12.45601 3.07533 -223.73042 1022.25637
570.0000 -236.89595 -221.94933 14.94662 3.06090 -224.03715 1035.59937
575.0000 -236.44452 -222.16487 14.27965 3.15936 -221.94416 1102.48094
580.0000 -237.23832 -224.25956 12.97876 3.06927 -223.85924 1024.77562
585.0000 -237.72792 -226.19116 11.53676 2.97927 -225.77234 990.64792
590.0000 -236.92768 -222.31575 14.61193 3.03470 -224.59414 1006.47391
595.0000 -234.34795 -219.19092 15.15703 3.13397 -222.48405 1084.95303
600.0000 -234.93410 -221.41040 13.52370 3.25818 -219.84363 1161.44500
605.0000 -234.14191 -221.79700 12.34490 3.18064 -221.49200 1092.21869
610.0000 -234.70017 -221.43038 13.26979 3.15114 -222.11906 1076.74130
615.0000 -236.51165 -224.42508 12.08657 3.14561 -222.23662 1073.38381
620.0000 -235.93000 -222.72321 13.20679 3.05273 -224.21072 994.43578
625.0000 -236.73097 -222.45681 14.27416 3.10589 -223.08077 1068.53766
630.0000 -236.35452 -224.01881 12.33571 3.09011 -223.41632 1053.48332
635.0000 -234.81182 -220.52637 14.28545 3.07169 -223.80788 1051.44455
640.0000 -237.48422 -222.77716 14.70706 3.19264 -221.23676 1115.64396
645.0000 -238.38376 -223.22614 15.15762 3.10612 -223.07602 1066.15029
650.0000 -233.74972 -222.07635 11.67337 3.05043 -224.25976 1012.05401
655.0000 -235.63957 -221.85015 13.78942 3.15818 -221.96939 1098.21732
660.0000 -236.38732 -223.44212 12.94520 3.14000 -222.35584 1097.91809
665.0000 -239.05038 -224.71763 14.33274 3.06598 -223.92919 1033.16356
670.0000 -238.17244 -226.39209 11.78035 3.01220 -225.07238 1010.55254
675.0000 -234.73161 -223.91082 10.82079 3.01593 -224.99305 999.35335
680.0000 -235.04614 -221.95108 13.09506 3.13098 -222.54757 1049.39944
685.0000 -236.93720 -223.68173 13.25548 3.13089 -222.54944 1057.57013
690.0000 -237.99426 -226.49725 11.49702 2.98854 -225.57515 1004.38997
695.0000 -239.84189 -226.82266 13.01924 2.89758 -227.50871 933.48826
700.0000 -238.20470 -224.78761 13.41709 2.99249 -225.49136 1003.84943
705.0000 -235.57757 -225.27005 10.30751 3.00793 -225.16305 1000.36502
710.0000 -236.60892 -224.71286 11.89606 3.10018 -223.20211 1061.30187
715.0000 -236.16643 -220.93074 15.23569 3.14727 -222.20123 1063.49018
720.0000 -237.06512 -223.95360 13.11152 3.12824 -222.60566 1064.99100
725.0000 -236.45820 -225.09707 11.36114 3.07212 -223.79870 1047.28051
730.0000 -238.97116 -227.21679 11.75437 2.96984 -225.97279 982.75117
735.0000 -238.86120 -225.91985 12.94135 2.96796 -226.01273 969.75005
740.0000 -238.69662 -227.31882 11.37781 3.02388 -224.82405 1017.57602
745.0000 -239.74677 -227.23656 12.51020 2.89804 -227.49880 969.60244
750.0000 -238.78792 -226.55801 12.22991 2.89229 -227.62123 913.24174
FREEZING PROCESS: loop number 4 T-loop= 1029.0000000000000
main_MD> interactions number 4 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75180 -4.10599 2.04299
force_rgl> df(natom) -0.05658 -0.47288 -3.05448
755.0000 -238.67616 -226.10426 12.57190 2.96444 -226.08754 981.57082
760.0000 -236.16978 -224.83982 11.32996 3.03634 -224.55917 1018.74181
765.0000 -236.87403 -222.29186 14.58217 3.06274 -223.99794 1022.54482
770.0000 -237.43562 -223.24797 14.18765 3.14502 -222.24912 1078.96858
775.0000 -236.40024 -223.78977 12.61047 3.07559 -223.72491 1045.50833
780.0000 -236.50629 -223.72460 12.78169 3.07987 -223.63394 1022.86223
785.0000 -237.77245 -225.48174 12.29071 2.99698 -225.39591 978.65576
790.0000 -238.25561 -226.49471 11.76090 2.95451 -226.29862 966.11869
795.0000 -238.36429 -225.65744 12.70685 2.98325 -225.68771 991.25782
800.0000 -236.73162 -223.00664 13.72498 3.07967 -223.63806 1041.74391
805.0000 -237.10165 -224.77765 12.32399 3.10751 -223.04633 1065.49490
810.0000 -240.71331 -226.89828 13.81503 2.94582 -226.48327 967.32273
815.0000 -237.16078 -224.64873 12.51205 2.99540 -225.42948 1005.75829
820.0000 -234.48064 -221.59253 12.88811 3.19320 -221.22493 1090.00687
825.0000 -235.64399 -221.73812 13.90587 3.19272 -221.23515 1114.87245
830.0000 -233.48836 -220.14497 13.34338 3.17528 -221.60588 1094.64843
835.0000 -234.51828 -220.96031 13.55797 3.18945 -221.30467 1113.26610
840.0000 -236.34041 -224.42191 11.91850 3.12777 -222.61574 1069.30594
845.0000 -237.63866 -222.78372 14.85494 3.09826 -223.24310 1068.78850
850.0000 -237.92999 -224.27722 13.65277 3.05705 -224.11887 1034.71427
855.0000 -234.90937 -222.17596 12.73341 3.12337 -222.70918 1068.18135
860.0000 -238.54421 -224.04021 14.50400 3.17153 -221.68561 1073.99091
865.0000 -237.99859 -225.48284 12.51575 3.05301 -224.20481 1027.37752
870.0000 -235.22561 -221.89136 13.33426 3.08329 -223.56112 1036.17405
875.0000 -236.46067 -223.15412 13.30655 3.11817 -222.81970 1059.75254
880.0000 -238.01485 -224.33460 13.68025 3.10167 -223.17054 1066.14897
885.0000 -238.16491 -226.25172 11.91319 2.99979 -225.33601 995.98850
890.0000 -236.31133 -223.26649 13.04484 3.04767 -224.31841 1002.60216
895.0000 -238.55161 -224.28261 14.26900 3.06753 -223.89625 1022.97406
900.0000 -238.54463 -225.38214 13.16249 3.00776 -225.16668 1001.76778
905.0000 -235.87500 -222.45051 13.42449 3.03720 -224.54094 1003.81599
910.0000 -235.46786 -222.78614 12.68172 3.15493 -222.03833 1082.83576
915.0000 -237.11379 -225.20126 11.91253 3.07536 -223.72970 1042.89869
920.0000 -236.46184 -225.49636 10.96547 2.99604 -225.41578 991.14722
925.0000 -238.14702 -225.01326 13.13376 2.99442 -225.45027 1001.16776
930.0000 -233.61861 -222.73062 10.88800 3.02577 -224.78396 1004.24270
935.0000 -237.29540 -224.60068 12.69472 3.10111 -223.18237 1032.31949
940.0000 -238.27866 -224.40921 13.86945 3.03365 -224.61637 1002.91669
945.0000 -237.47049 -224.37689 13.09360 3.06003 -224.05569 1004.17019
950.0000 -236.27456 -221.99817 14.27639 3.05852 -224.08770 1032.46290
955.0000 -237.38668 -225.21177 12.17492 3.11117 -222.96851 1070.24656
960.0000 -238.13036 -225.46024 12.67012 2.95836 -226.21674 958.07133
965.0000 -237.84459 -225.21587 12.62872 2.97960 -225.76530 984.32939
970.0000 -236.41067 -222.81868 13.59199 3.09771 -223.25471 1058.83822
975.0000 -239.07857 -225.21667 13.86190 3.06253 -224.00257 1029.96078
980.0000 -237.48796 -224.18782 13.30013 3.04242 -224.42991 991.29261
985.0000 -238.61444 -224.83298 13.78146 3.06564 -223.93633 1028.47493
990.0000 -235.23063 -221.51271 13.71792 3.10440 -223.11248 1058.56192
995.0000 -237.63215 -222.48648 15.14567 3.17527 -221.60616 1083.38333
1000.0000 -238.50830 -226.23315 12.27514 3.05122 -224.24297 1002.32421
FREEZING PROCESS: loop number 5 T-loop= 1004.0000000000000
main_MD> interactions number 5 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37339 2.41154 -0.94450
force_rgl> df(natom) -0.19825 2.91258 -1.50394
1005.0000 -237.18604 -225.28408 11.90196 3.03134 -224.66554 1024.13427
1010.0000 -236.29756 -224.36138 11.93618 2.97708 -225.81874 977.77732
1015.0000 -239.05254 -227.10535 11.94720 2.99940 -225.34432 992.31499
1020.0000 -237.92625 -225.34927 12.57698 2.98982 -225.54812 963.96483
1025.0000 -238.98827 -225.50636 13.48191 3.03945 -224.49302 1006.68980
1030.0000 -237.84009 -226.39404 11.44605 2.98316 -225.68965 991.12403
1035.0000 -241.13318 -228.51062 12.62256 2.89716 -227.51760 934.74570
1040.0000 -238.00558 -226.68502 11.32055 2.90793 -227.28875 909.55327
1045.0000 -240.07515 -226.94134 13.13380 2.94863 -226.42346 957.53691
1050.0000 -238.73390 -227.09794 11.63596 2.93691 -226.67261 930.13226
1055.0000 -238.77310 -226.80793 11.96517 2.93611 -226.68966 951.04328
1060.0000 -239.84983 -227.08729 12.76253 2.86842 -228.12843 919.65988
1065.0000 -238.59554 -227.33996 11.25558 2.90117 -227.43231 924.31220
1070.0000 -237.67461 -225.08269 12.59193 2.88485 -227.77919 915.31899
1075.0000 -238.64672 -226.00393 12.64279 3.01247 -225.06647 1009.49947
1080.0000 -236.32591 -224.88473 11.44118 2.99416 -225.45587 982.18671
1085.0000 -238.20868 -226.60799 11.60069 2.97774 -225.80482 971.97606
1090.0000 -237.88374 -224.77910 13.10464 3.03202 -224.65100 1016.20052
1095.0000 -237.00314 -225.67407 11.32907 2.99088 -225.52549 986.25554
1100.0000 -236.62408 -225.20577 11.41831 2.99472 -225.44378 986.68880
1105.0000 -238.95750 -224.88382 14.07368 3.01403 -225.03340 981.82167
1110.0000 -237.43718 -222.56608 14.87110 3.08468 -223.53158 1049.72073
1115.0000 -236.64081 -225.39102 11.24980 3.05185 -224.22958 1031.89420
1120.0000 -237.73797 -224.35687 13.38109 3.07006 -223.84233 1026.80674
1125.0000 -236.92871 -223.16387 13.76485 3.11156 -222.96020 1056.92515
1130.0000 -237.06543 -224.27593 12.78949 3.06829 -223.88006 1017.82663
1135.0000 -237.27362 -224.33838 12.93524 3.05228 -224.22041 1005.11298
1140.0000 -238.12758 -225.15187 12.97571 3.01240 -225.06801 990.76826
1145.0000 -238.14481 -224.98915 13.15566 2.99271 -225.48659 959.84281
1150.0000 -236.75532 -223.42343 13.33189 3.03803 -224.52322 997.19698
1155.0000 -237.73628 -223.89585 13.84043 3.06148 -224.02470 1036.90564
1160.0000 -238.32538 -224.95100 13.37438 3.06107 -224.03353 1055.51495
1165.0000 -237.95461 -224.20743 13.74718 3.02320 -224.83858 998.44533
1170.0000 -240.59930 -230.51523 10.08407 2.95789 -226.22679 975.40912
1175.0000 -239.83599 -225.73300 14.10299 2.87475 -227.99390 932.72137
1180.0000 -238.43054 -225.18532 13.24522 2.98336 -225.68531 994.12702
1185.0000 -236.49235 -224.22185 12.27050 3.08461 -223.53314 1033.17140
1190.0000 -238.10758 -224.75273 13.35485 3.06163 -224.02163 1030.50325
1195.0000 -240.11682 -228.91654 11.20028 2.96359 -226.10567 957.76846
1200.0000 -239.71786 -226.31957 13.39828 2.86227 -228.25932 914.35250
1205.0000 -238.88376 -228.36006 10.52370 2.85260 -228.46472 914.46786
1210.0000 -236.51041 -224.69951 11.81091 2.95628 -226.26093 954.71297
1215.0000 -238.08771 -226.50667 11.58104 3.02106 -224.88396 995.60060
1220.0000 -238.07999 -226.75524 11.32475 2.95283 -226.33438 961.08281
1225.0000 -236.84848 -223.51892 13.32957 2.97533 -225.85606 964.16085
1230.0000 -237.48752 -223.05225 14.43527 3.07661 -223.70328 1045.91088
1235.0000 -236.98324 -224.77761 12.20564 3.06697 -223.90804 1013.39846
1240.0000 -238.59300 -225.17909 13.41391 3.00577 -225.20895 1002.28892
1245.0000 -236.99799 -222.85055 14.14743 3.05201 -224.22613 1019.48118
1250.0000 -237.36094 -225.16817 12.19277 3.04989 -224.27126 989.28914
FREEZING PROCESS: loop number 6 T-loop= 979.00000000000000
main_MD> interactions number 6 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.10660 -0.80807 -2.19519
force_rgl> df(natom) -0.60058 -9.74154 6.65399
1255.0000 -237.38887 -227.13530 10.25357 2.97410 -225.88217 967.48579
1260.0000 -237.30748 -224.51816 12.78933 2.93158 -226.78598 937.68690
1265.0000 -237.92010 -226.06729 11.85281 2.96442 -226.08787 983.27677
1270.0000 -238.50849 -228.04824 10.46024 2.91703 -227.09532 936.50543
1275.0000 -237.85559 -225.47901 12.37658 2.91742 -227.08688 933.78015
1280.0000 -239.42942 -226.60512 12.82430 2.97812 -225.79680 967.14878
1285.0000 -235.94665 -224.13321 11.81344 2.99616 -225.41335 961.87409
1290.0000 -238.32109 -225.98276 12.33833 2.99756 -225.38351 987.60463
1295.0000 -236.26511 -223.01113 13.25398 3.02927 -224.70937 1003.18453
1300.0000 -237.11068 -222.95354 14.15714 3.11279 -222.93409 1041.82491
1305.0000 -236.58591 -224.20837 12.37754 3.11837 -222.81554 1056.34356
1310.0000 -235.19720 -222.71982 12.47738 3.10520 -223.09548 1018.63399
1315.0000 -237.33647 -222.86634 14.47013 3.08505 -223.52386 1038.29018
1320.0000 -237.17663 -224.43628 12.74035 3.04727 -224.32683 1002.37519
1325.0000 -237.28888 -222.18898 15.09990 3.05333 -224.19811 1009.05677
1330.0000 -236.50740 -223.31983 13.18757 3.12160 -222.74694 1036.53642
1335.0000 -238.23618 -224.89501 13.34116 3.07810 -223.67161 1063.08026
1340.0000 -235.82522 -224.50881 11.31642 2.99442 -225.45014 995.67802
1345.0000 -238.67255 -224.78407 13.88848 3.01792 -224.95082 1004.06287
1350.0000 -237.98413 -225.04053 12.94360 2.99672 -225.40144 989.99999
1355.0000 -238.10213 -225.50122 12.60091 3.00700 -225.18276 995.04981
1360.0000 -237.15921 -225.65699 11.50222 3.01006 -225.11787 991.12708
1365.0000 -239.70279 -227.83810 11.86469 2.88909 -227.68911 916.83605
1370.0000 -238.46820 -225.71511 12.75309 2.96567 -226.06136 966.00736
1375.0000 -238.96923 -226.90978 12.05946 2.93006 -226.81834 949.22274
1380.0000 -239.42469 -225.58928 13.83541 3.00541 -225.21669 989.10934
1385.0000 -239.42118 -226.82423 12.59695 2.95766 -226.23156 985.30462
1390.0000 -238.13596 -226.10530 12.03066 2.95981 -226.18589 973.94721
1395.0000 -237.55093 -225.37321 12.17772 2.98018 -225.75295 959.27549
1400.0000 -239.63523 -227.24810 12.38713 2.99948 -225.34275 976.59346
1405.0000 -239.33999 -226.40308 12.93691 2.97451 -225.87354 966.13594
1410.0000 -237.99417 -225.57022 12.42395 2.94520 -226.49644 955.73202
1415.0000 -238.08126 -225.13579 12.94547 2.97527 -225.85728 973.35813
1420.0000 -238.13095 -226.46818 11.66278 2.95839 -226.21615 994.70300
1425.0000 -238.58688 -224.78757 13.79931 2.96359 -226.10566 966.64864
1430.0000 -238.65136 -227.50026 11.15109 2.96724 -226.02797 941.80194
1435.0000 -238.02536 -226.25303 11.77233 2.94960 -226.40294 953.94203
1440.0000 -238.01914 -222.98471 15.03443 3.00866 -225.14750 985.16057
1445.0000 -236.55993 -224.67862 11.88130 3.04515 -224.37186 1025.49082
1450.0000 -236.93762 -225.14100 11.79663 2.99554 -225.42646 956.95584
1455.0000 -238.58906 -227.43841 11.15065 2.97393 -225.88573 955.24951
1460.0000 -236.52194 -225.34575 11.17619 2.97642 -225.83285 969.21573
1465.0000 -235.87448 -221.92303 13.95145 3.07127 -223.81674 995.43050
1470.0000 -236.87676 -223.06711 13.80964 3.11352 -222.91868 1078.17263
1475.0000 -237.10655 -224.84443 12.26212 3.10880 -223.01900 1060.35342
1480.0000 -235.86501 -224.25565 11.60936 2.99102 -225.52247 950.58584
1485.0000 -236.80839 -224.31379 12.49460 3.00424 -225.24161 990.48946
1490.0000 -238.11931 -226.88239 11.23692 3.01351 -225.04444 977.69229
1495.0000 -237.79605 -225.87596 11.92008 2.96699 -226.03320 959.62440
1500.0000 -240.07685 -227.54561 12.53123 2.92578 -226.90932 925.70724
FREEZING PROCESS: loop number 7 T-loop= 954.00000000000000
main_MD> interactions number 7 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71473 2.68640 1.13987
force_rgl> df(natom) 1.67222 -1.23318 -1.58972
1505.0000 -239.40499 -227.93640 11.46858 2.89048 -227.65957 925.62639
1510.0000 -236.66667 -225.97166 10.69501 2.95500 -226.28820 963.40671
1515.0000 -237.04263 -224.48312 12.55952 2.99492 -225.43951 1009.21235
1520.0000 -239.63066 -226.58931 13.04135 3.00844 -225.15214 982.65564
1525.0000 -240.44961 -228.57598 11.87363 2.90170 -227.42108 938.00605
1530.0000 -238.62028 -227.20346 11.41682 2.84080 -228.71561 903.80640
1535.0000 -240.10032 -227.94573 12.15460 2.94586 -226.48235 970.23376
1540.0000 -238.58987 -226.47476 12.11511 2.90928 -227.26003 930.88761
1545.0000 -239.14081 -226.65179 12.48902 2.94141 -226.57707 942.64649
1550.0000 -238.87971 -227.58123 11.29848 2.95447 -226.29935 952.52924
1555.0000 -240.41983 -228.41001 12.00983 2.88991 -227.67167 939.23252
1560.0000 -240.74466 -228.00582 12.73884 2.87287 -228.03395 924.74785
1565.0000 -239.70842 -227.41370 12.29472 2.94533 -226.49372 974.04158
1570.0000 -239.33817 -226.18026 13.15791 2.90501 -227.35079 948.42758
1575.0000 -239.18793 -227.91291 11.27502 2.88808 -227.71067 922.13826
1580.0000 -240.62841 -230.26522 10.36319 2.87240 -228.04382 917.83921
1585.0000 -240.02392 -228.07378 11.95014 2.84524 -228.62123 920.48000
1590.0000 -237.98022 -225.50194 12.47827 2.91751 -227.08506 964.07307
1595.0000 -235.90907 -224.92826 10.98081 3.03497 -224.58833 1023.26898
1600.0000 -237.26137 -223.89004 13.37132 3.00017 -225.32794 966.24965
1605.0000 -236.85079 -225.52735 11.32344 3.03110 -224.67064 1014.15469
1610.0000 -238.31988 -225.63199 12.68789 3.03967 -224.48831 987.12845
1615.0000 -238.09774 -225.13386 12.96388 3.01853 -224.93767 1001.08288
1620.0000 -240.23852 -227.22550 13.01302 2.96558 -226.06326 968.42126
1625.0000 -238.65901 -227.29127 11.36775 2.91009 -227.24277 933.99430
1630.0000 -237.37152 -224.28084 13.09068 2.97942 -225.76915 978.94933
1635.0000 -237.68486 -225.25515 12.42971 3.01068 -225.10467 964.61681
1640.0000 -237.58388 -226.23671 11.34717 3.05691 -224.12187 1007.58778
1645.0000 -238.91337 -226.54727 12.36610 3.00655 -225.19238 981.67684
1650.0000 -240.69453 -227.45269 13.24184 2.91111 -227.22102 953.00719
1655.0000 -239.22080 -226.33754 12.88326 2.89950 -227.46789 925.89286
1660.0000 -238.19220 -228.04176 10.15043 2.94777 -226.44178 967.96007
1665.0000 -239.87189 -229.40918 10.46271 2.84423 -228.64277 888.57269
1670.0000 -240.56271 -227.92384 12.63887 2.82231 -229.10867 880.05249
1675.0000 -237.90378 -228.04213 9.86166 2.83341 -228.87270 895.33323
1680.0000 -241.22066 -230.37071 10.84995 2.80001 -229.58260 879.24380
1685.0000 -241.94838 -228.41490 13.53348 2.84501 -228.62619 904.56628
1690.0000 -238.18597 -226.36058 11.82540 2.91916 -227.05000 955.51978
1695.0000 -239.55633 -226.07106 13.48527 3.03728 -224.53917 1016.86276
1700.0000 -238.08580 -225.29334 12.79246 2.98976 -225.54920 985.35869
1705.0000 -239.75410 -227.40072 12.35337 2.96472 -226.08156 963.15447
1710.0000 -237.65468 -225.61669 12.03799 2.91798 -227.07510 926.19441
1715.0000 -237.77551 -224.70612 13.06940 2.98366 -225.67892 977.23387
1720.0000 -235.88192 -224.39556 11.48636 3.06755 -223.89581 1055.44244
1725.0000 -237.41011 -225.16299 12.24711 3.03146 -224.66289 1004.71481
1730.0000 -237.90217 -226.33354 11.56863 3.02955 -224.70351 1015.51610
1735.0000 -237.04285 -223.14011 13.90275 3.04245 -224.42923 1016.04438
1740.0000 -239.27583 -226.44658 12.82924 3.07100 -223.82239 1045.90400
1745.0000 -240.45072 -229.54722 10.90350 2.83889 -228.75612 923.06188
1750.0000 -241.55779 -230.06492 11.49287 2.80444 -229.48840 880.91183
FREEZING PROCESS: loop number 8 T-loop= 929.00000000000000
main_MD> interactions number 8 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40707 2.49894 3.88942
force_rgl> df(natom) -3.75809 6.41077 -2.08810
1755.0000 -238.05348 -227.61116 10.44232 2.84614 -228.60210 909.31114
1760.0000 -239.36154 -228.42412 10.93742 2.87455 -227.99819 904.51304
1765.0000 -238.62235 -226.40694 12.21541 2.89350 -227.59547 905.91010
1770.0000 -238.23071 -226.78010 11.45061 2.94256 -226.55251 954.24473
1775.0000 -236.82309 -225.42040 11.40270 2.94183 -226.56800 954.78586
1780.0000 -238.50598 -227.40456 11.10141 2.95119 -226.36924 956.77911
1785.0000 -238.60777 -227.07064 11.53713 2.90063 -227.44383 928.07583
1790.0000 -238.33790 -227.92108 10.41681 2.94236 -226.55687 940.70109
1795.0000 -239.69546 -227.69133 12.00413 2.85152 -228.48777 907.92416
1800.0000 -238.72924 -226.03426 12.69498 2.94090 -226.58777 961.24706
1805.0000 -240.59302 -225.71666 14.87636 2.99375 -225.46450 976.08516
1810.0000 -239.67949 -228.19104 11.48845 2.93523 -226.70840 961.68163
1815.0000 -238.52678 -227.04591 11.48088 2.83009 -228.94316 892.18159
1820.0000 -239.05685 -227.49695 11.55990 2.92786 -226.86508 938.31288
1825.0000 -239.95793 -229.24159 10.71634 2.82631 -229.02363 879.53219
1830.0000 -238.58797 -228.01247 10.57550 2.81925 -229.17358 880.95957
1835.0000 -240.39925 -229.62206 10.77719 2.82963 -228.95295 893.34026
1840.0000 -239.97187 -229.42506 10.54681 2.80249 -229.53003 884.99779
1845.0000 -240.62024 -229.28865 11.33159 2.86183 -228.26850 906.65691
1850.0000 -241.45495 -230.27034 11.18461 2.81231 -229.32113 883.47087
1855.0000 -241.08245 -229.16742 11.91503 2.79862 -229.61223 893.96342
1860.0000 -239.90616 -229.04649 10.85967 2.81491 -229.26596 886.65510
1865.0000 -239.70241 -230.16069 9.54173 2.86380 -228.22662 895.11844
1870.0000 -238.52679 -228.54260 9.98419 2.76812 -230.26047 848.53918
1875.0000 -240.44271 -228.57761 11.86510 2.82948 -228.95632 894.90271
1880.0000 -238.78680 -227.26966 11.51713 2.86095 -228.28738 916.19622
1885.0000 -240.27478 -227.79652 12.47826 2.91229 -227.19594 928.89716
1890.0000 -238.23505 -226.95807 11.27699 2.89978 -227.46182 908.70195
1895.0000 -238.83897 -226.51052 12.32845 2.97592 -225.84338 953.57050
1900.0000 -237.76630 -227.86405 9.90225 2.89989 -227.45948 940.19421
1905.0000 -238.46449 -226.24049 12.22400 2.89926 -227.47299 928.24737
1910.0000 -238.95183 -228.55326 10.39857 2.90604 -227.32887 916.83920
1915.0000 -240.48535 -227.59230 12.89305 2.88663 -227.74133 907.20036
1920.0000 -238.48377 -225.55516 12.92860 3.01721 -224.96579 999.03693
1925.0000 -238.93614 -226.80374 12.13240 2.94322 -226.53866 950.77792
1930.0000 -239.46867 -227.57574 11.89293 2.92163 -226.99748 932.76262
1935.0000 -237.70507 -225.51939 12.18568 2.91965 -227.03947 934.57268
1940.0000 -238.17077 -226.99097 11.17980 2.96781 -226.01580 984.81235
1945.0000 -239.69882 -229.29197 10.40685 2.80970 -229.37667 888.91375
1950.0000 -237.80596 -227.22218 10.58378 2.90436 -227.36466 919.95497
1955.0000 -238.40676 -227.34672 11.06003 2.89728 -227.51515 917.53131
1960.0000 -240.30683 -228.30266 12.00416 2.87105 -228.07271 896.13686
1965.0000 -240.32708 -228.30346 12.02362 2.84333 -228.66178 913.30133
1970.0000 -238.71192 -227.13445 11.57747 2.89047 -227.65985 952.09024
1975.0000 -237.24954 -224.55737 12.69217 2.97569 -225.84831 941.87507
1980.0000 -240.05714 -228.57343 11.48371 2.94584 -226.48296 939.42788
1985.0000 -243.24228 -230.59938 12.64291 2.87771 -227.93112 931.81921
1990.0000 -239.02558 -227.61814 11.40743 2.87484 -227.99215 950.94183
1995.0000 -239.17068 -227.48383 11.68685 2.90604 -227.32875 926.75708
2000.0000 -240.30897 -229.02963 11.27934 2.84322 -228.66418 900.00321
FREEZING PROCESS: loop number 9 T-loop= 904.00000000000000
main_MD> interactions number 9 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39126 0.13591 4.90978
force_rgl> df(natom) -2.48466 -0.02053 2.63268
2005.0000 -239.35646 -228.49992 10.85654 2.81177 -229.33259 889.93855
2010.0000 -238.16920 -227.23460 10.93461 2.84742 -228.57498 887.68568
2015.0000 -240.12277 -228.19093 11.93184 2.86827 -228.13167 915.48657
2020.0000 -240.33050 -229.86440 10.46610 2.79125 -229.76875 863.83851
2025.0000 -241.01128 -231.16367 9.84761 2.76852 -230.25189 845.65891
2030.0000 -240.86945 -230.54998 10.31947 2.75147 -230.61452 831.43642
2035.0000 -239.18783 -228.37140 10.81643 2.81514 -229.26100 897.21232
2040.0000 -240.78907 -228.82862 11.96045 2.86421 -228.21792 897.92874
2045.0000 -239.06429 -227.64309 11.42120 2.89883 -227.48202 951.05726
2050.0000 -238.15159 -226.78203 11.36957 2.88003 -227.88169 911.70962
2055.0000 -239.81073 -229.14376 10.66697 2.85790 -228.35213 886.39297
2060.0000 -239.86372 -228.73692 11.12679 2.82863 -228.97437 896.69021
2065.0000 -239.95130 -229.36151 10.58979 2.79957 -229.59202 876.75255
2070.0000 -239.35982 -228.28574 11.07408 2.85426 -228.42955 900.75632
2075.0000 -240.41608 -228.28256 12.13352 2.81822 -229.19566 858.88080
2080.0000 -238.36203 -226.14582 12.21621 2.93679 -226.67520 952.13216
2085.0000 -240.88621 -230.33304 10.55317 2.82800 -228.98764 885.89692
2090.0000 -240.79444 -229.99068 10.80376 2.76858 -230.25076 866.17326
2095.0000 -239.10016 -228.29280 10.80736 2.80141 -229.55298 869.60728
2100.0000 -241.30202 -230.88214 10.41988 2.82421 -229.06820 884.59087
2105.0000 -239.34035 -227.64439 11.69596 2.86139 -228.27793 907.74100
2110.0000 -239.28849 -227.35898 11.92951 2.91385 -227.16280 924.86837
2115.0000 -237.77806 -226.43219 11.34587 2.92553 -226.91466 953.24508
2120.0000 -238.70390 -227.87935 10.82455 2.90569 -227.33640 933.87212
2125.0000 -240.47810 -229.26850 11.20959 2.80473 -229.48224 879.70200
2130.0000 -239.13756 -228.64439 10.49317 2.82650 -229.01966 892.37537
2135.0000 -240.05385 -229.50564 10.54821 2.84562 -228.61321 908.73050
2140.0000 -239.54517 -228.44452 11.10066 2.82256 -229.10324 889.94259
2145.0000 -241.60685 -231.30317 10.30367 2.78345 -229.93466 852.71479
2150.0000 -237.69871 -224.11254 13.58617 2.89406 -227.58352 919.76843
2155.0000 -238.09292 -226.60150 11.49143 2.98400 -225.67178 971.10319
2160.0000 -238.81148 -227.37971 11.43177 2.93831 -226.64284 976.36178
2165.0000 -240.32411 -228.43479 11.88931 2.88546 -227.76631 947.26605
2170.0000 -241.48183 -230.74602 10.73582 2.78697 -229.85983 875.87521
2175.0000 -241.07901 -230.65972 10.41929 2.75620 -230.51377 856.07323
2180.0000 -240.84213 -229.34313 11.49901 2.80801 -229.41253 881.77084
2185.0000 -239.88176 -229.13724 10.74452 2.80345 -229.50958 877.43609
2190.0000 -240.43297 -229.68664 10.74633 2.75741 -230.48824 860.46904
2195.0000 -240.69608 -229.34464 11.35144 2.81197 -229.32832 881.65780
2200.0000 -238.58756 -226.53191 12.05565 2.89471 -227.56963 912.55652
2205.0000 -238.81741 -228.18398 10.63343 2.88439 -227.78899 916.50374
2210.0000 -239.00952 -229.16206 9.84746 2.83152 -228.91286 886.66744
2215.0000 -240.05980 -229.47599 10.58381 2.83110 -228.92172 893.09207
2220.0000 -240.11245 -228.44808 11.66437 2.80185 -229.54345 865.84170
2225.0000 -240.76089 -226.48060 14.28029 2.90213 -227.41199 939.35212
2230.0000 -240.17477 -228.81702 11.35775 2.92697 -226.88394 940.54596
2235.0000 -240.78029 -229.13881 11.64148 2.80095 -229.56263 860.08018
2240.0000 -238.25000 -225.89899 12.35102 2.93595 -226.69299 945.97378
2245.0000 -240.04657 -226.37714 13.66943 2.94269 -226.54975 959.94254
2250.0000 -239.46691 -227.40329 12.06361 2.91068 -227.23030 941.87614
FREEZING PROCESS: loop number 10 T-loop= 879.00000000000000
main_MD> interactions number 10 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79176 -3.22538 -3.72227
force_rgl> df(natom) -0.83654 1.19591 1.76242
2255.0000 -239.40236 -228.11778 11.28457 2.85941 -228.32003 899.04563
2260.0000 -239.65171 -229.25642 10.39529 2.83631 -228.81111 860.22320
2265.0000 -239.03410 -227.68325 11.35085 2.91285 -227.18402 937.03338
2270.0000 -242.27386 -231.64053 10.63333 2.77154 -230.18781 862.96463
2275.0000 -240.75086 -230.47903 10.27183 2.75785 -230.47888 859.05576
2280.0000 -241.33264 -231.22750 10.10514 2.77345 -230.14713 856.55672
2285.0000 -240.71032 -230.29715 10.41317 2.75553 -230.52816 837.08057
2290.0000 -239.08846 -227.78622 11.30224 2.85683 -228.37486 901.90452
2295.0000 -240.01175 -228.86307 11.14868 2.85112 -228.49620 911.18628
2300.0000 -240.11236 -227.95299 12.15938 2.86223 -228.26010 910.43192
2305.0000 -240.90037 -230.04998 10.85039 2.77903 -230.02851 872.73367
2310.0000 -240.18318 -230.66171 9.52147 2.73713 -230.91916 825.24566
2315.0000 -240.26229 -230.17311 10.08918 2.77523 -230.10933 856.06578
2320.0000 -241.31080 -229.23291 12.07790 2.81363 -229.29303 888.93739
2325.0000 -242.74850 -232.74424 10.00426 2.73790 -230.90282 855.39027
2330.0000 -242.03143 -232.57717 9.45426 2.65377 -232.69115 795.10921
2335.0000 -241.85013 -230.42039 11.42974 2.70345 -231.63503 841.06580
2340.0000 -239.22881 -227.63557 11.59324 2.86965 -228.10244 899.80767
2345.0000 -239.43684 -228.12548 11.31136 2.88420 -227.79310 922.94650
2350.0000 -240.29413 -228.48186 11.81228 2.81956 -229.16718 874.96562
2355.0000 -242.60842 -229.75738 12.85104 2.83897 -228.75456 916.00255
2360.0000 -240.55074 -230.20123 10.34951 2.76252 -230.37952 844.89565
2365.0000 -239.52209 -230.08613 9.43596 2.76089 -230.41413 854.44971
2370.0000 -239.60787 -229.11634 10.49153 2.82531 -229.04495 878.24405
2375.0000 -241.39580 -228.25893 13.13688 2.86743 -228.14949 910.47937
2380.0000 -239.87453 -230.09794 9.77659 2.80202 -229.53987 884.39053
2385.0000 -240.43179 -229.74785 10.68393 2.78797 -229.83857 851.87222
2390.0000 -242.12294 -231.00478 11.11816 2.74719 -230.70541 858.28150
2395.0000 -242.14402 -230.01041 12.13361 2.71846 -231.31602 824.80390
2400.0000 -240.66954 -229.96024 10.70929 2.75373 -230.56644 847.95490
2405.0000 -241.58515 -232.45465 9.13050 2.71795 -231.32685 820.02134
2410.0000 -242.56728 -232.44265 10.12462 2.65126 -232.74458 773.40488
2415.0000 -243.66090 -232.81522 10.84568 2.63212 -233.15141 775.88754
2420.0000 -241.82787 -231.46601 10.36186 2.70555 -231.59057 825.81987
2425.0000 -243.47882 -233.24651 10.23231 2.66834 -232.38139 775.81518
2430.0000 -242.02793 -229.62582 12.40211 2.67943 -232.14574 831.43348
2435.0000 -240.85973 -229.35984 11.49989 2.80872 -229.39746 894.71343
2440.0000 -241.20512 -231.10708 10.09804 2.76707 -230.28289 853.96222
2445.0000 -240.71717 -228.76397 11.95320 2.75814 -230.47266 843.25905
2450.0000 -239.52076 -228.45339 11.06737 2.87106 -228.07243 911.89214
2455.0000 -242.06720 -230.93413 11.13307 2.78593 -229.88192 875.43689
2460.0000 -240.55659 -229.79377 10.76283 2.73742 -230.91309 830.05550
2465.0000 -240.74011 -229.15916 11.58095 2.81317 -229.30287 865.75295
2470.0000 -239.52067 -227.99976 11.52091 2.87631 -227.96071 913.72421
2475.0000 -240.85860 -230.29752 10.56108 2.78399 -229.92312 837.03203
2480.0000 -240.88567 -229.19865 11.68702 2.79723 -229.64163 844.22153
2485.0000 -240.11952 -230.17005 9.94947 2.77048 -230.21023 839.34910
2490.0000 -241.78674 -230.96979 10.81695 2.78011 -230.00555 833.55986
2495.0000 -240.95355 -230.06142 10.89213 2.74539 -230.74375 815.76338
2500.0000 -240.30884 -229.21582 11.09301 2.78198 -229.96591 851.19574
FREEZING PROCESS: loop number 11 T-loop= 854.00000000000000
main_MD> interactions number 11 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34946 -0.43722 -0.22700
force_rgl> df(natom) 1.30359 3.97502 0.18182
2505.0000 -239.16123 -229.23564 9.92558 2.84747 -228.57382 893.99471
2510.0000 -240.98476 -228.78816 12.19660 2.82813 -228.98482 888.34750
2515.0000 -240.31890 -230.36482 9.95407 2.81947 -229.16891 879.91628
2520.0000 -239.64214 -228.22729 11.41485 2.80815 -229.40969 881.35656
2525.0000 -240.13145 -229.12552 11.00593 2.82366 -229.07988 888.96481
2530.0000 -240.19258 -229.20394 10.98864 2.80994 -229.37166 864.42278
2535.0000 -239.03022 -228.38492 10.64530 2.86916 -228.11284 886.78752
2540.0000 -240.87102 -228.99314 11.87788 2.81043 -229.36118 880.86927
2545.0000 -240.35374 -230.24750 10.10624 2.78816 -229.83446 886.39096
2550.0000 -239.90587 -229.45845 10.44742 2.77701 -230.07163 849.11266
2555.0000 -242.23445 -233.08522 9.14923 2.69694 -231.77352 784.77251
2560.0000 -241.69912 -230.71817 10.98095 2.69852 -231.73986 809.69283
2565.0000 -241.87496 -231.71750 10.15746 2.72419 -231.19437 826.33615
2570.0000 -242.60688 -231.89815 10.70873 2.70538 -231.59402 823.33067
2575.0000 -242.53141 -232.57645 9.95496 2.71956 -231.29277 839.37047
2580.0000 -241.50975 -231.16034 10.34941 2.69954 -231.71829 813.42303
2585.0000 -240.52586 -229.48254 11.04332 2.74373 -230.77899 832.79021
2590.0000 -241.39752 -231.29519 10.10233 2.74097 -230.83757 852.47863
2595.0000 -242.32968 -233.66121 8.66846 2.66700 -232.41001 806.13512
2600.0000 -243.16116 -233.49722 9.66394 2.61984 -233.41243 781.12249
2605.0000 -241.51584 -232.28637 9.22947 2.63449 -233.10087 768.28458
2610.0000 -241.25914 -228.39314 12.86600 2.80074 -229.56713 874.50469
2615.0000 -240.21213 -229.52313 10.68900 2.80154 -229.55008 876.83814
2620.0000 -241.06231 -230.67425 10.38806 2.77756 -230.05986 858.29298
2625.0000 -241.60589 -230.11531 11.49058 2.77698 -230.07212 874.72451
2630.0000 -239.76442 -229.81990 9.94452 2.82072 -229.14239 864.12365
2635.0000 -241.28913 -230.31708 10.97206 2.79490 -229.69118 860.54728
2640.0000 -241.07654 -230.37677 10.69977 2.74181 -230.81971 843.76573
2645.0000 -241.51857 -229.96772 11.55085 2.76332 -230.36263 833.51344
2650.0000 -239.60524 -229.44875 10.15649 2.80033 -229.57589 862.23662
2655.0000 -239.97442 -230.40929 9.56513 2.78509 -229.89985 865.00477
2660.0000 -241.90232 -231.53994 10.36238 2.69652 -231.78248 799.24317
2665.0000 -240.69684 -230.39037 10.30647 2.75127 -230.61876 832.31182
2670.0000 -241.98499 -230.82966 11.15534 2.79946 -229.59431 869.12552
2675.0000 -242.17709 -231.39051 10.78658 2.74817 -230.68458 855.30431
2680.0000 -243.27121 -233.11621 10.15500 2.67844 -232.16665 807.23704
2685.0000 -242.23637 -232.80030 9.43608 2.67117 -232.32132 808.46590
2690.0000 -240.07035 -228.98828 11.08206 2.75108 -230.62276 842.10431
2695.0000 -241.45234 -229.32666 12.12568 2.81521 -229.25962 876.87726
2700.0000 -238.96806 -224.96593 14.00213 2.91057 -227.23251 917.75351
2705.0000 -238.73722 -228.31915 10.41807 2.91716 -227.09243 952.96563
2710.0000 -239.33930 -227.58074 11.75856 2.87673 -227.95197 949.54878
2715.0000 -239.80649 -227.71386 12.09263 2.89039 -227.66143 956.06114
2720.0000 -239.43314 -228.20399 11.22915 2.88871 -227.69726 934.09358
2725.0000 -240.86804 -229.16775 11.70029 2.85311 -228.45390 905.29572
2730.0000 -241.30436 -230.33743 10.96692 2.77626 -230.08741 876.64252
2735.0000 -239.54548 -227.54256 12.00292 2.85801 -228.34978 905.65640
2740.0000 -239.93097 -229.62312 10.30785 2.84201 -228.68992 890.50163
2745.0000 -239.70378 -227.73942 11.96436 2.82145 -229.12699 863.70970
2750.0000 -239.67956 -227.68103 11.99853 2.91469 -227.14505 941.18604
FREEZING PROCESS: loop number 12 T-loop= 829.00000000000000
main_MD> interactions number 12 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43991 1.98072 -0.99548
force_rgl> df(natom) -1.09998 0.96027 0.61151
2755.0000 -240.69656 -230.05259 10.64397 2.80392 -229.49962 876.67069
2760.0000 -241.77661 -230.58106 11.19555 2.76503 -230.32624 852.26486
2765.0000 -239.10292 -229.60935 9.49358 2.78648 -229.87022 857.69949
2770.0000 -241.09694 -229.85846 11.23848 2.76170 -230.39704 862.14982
2775.0000 -241.48503 -231.38474 10.10030 2.75881 -230.45846 865.04343
2780.0000 -242.68383 -231.82742 10.85642 2.68571 -232.01218 824.86852
2785.0000 -241.98314 -231.42212 10.56103 2.69714 -231.76932 820.76191
2790.0000 -240.99572 -230.03948 10.95624 2.68122 -232.10775 790.37926
2795.0000 -240.19467 -229.81515 10.37951 2.80459 -229.48529 867.03194
2800.0000 -240.89935 -231.65660 9.24275 2.72778 -231.11801 832.98129
2805.0000 -241.89757 -232.49608 9.40149 2.65957 -232.56778 784.40619
2810.0000 -241.14108 -228.94284 12.19823 2.74553 -230.74065 841.69561
2815.0000 -242.47807 -231.49165 10.98643 2.75604 -230.51722 864.08746
2820.0000 -242.43845 -232.20525 10.23319 2.69299 -231.85737 803.92379
2825.0000 -241.92913 -229.89624 12.03289 2.75361 -230.56900 836.07049
2830.0000 -239.74772 -229.68337 10.06435 2.80259 -229.52774 878.16925
2835.0000 -241.72205 -229.45079 12.27126 2.80332 -229.51238 852.90993
2840.0000 -240.99811 -230.49572 10.50239 2.80175 -229.54570 864.41015
2845.0000 -241.81993 -231.34620 10.47373 2.76898 -230.24217 847.54958
2850.0000 -242.34408 -230.37859 11.96549 2.73300 -231.00702 845.42106
2855.0000 -240.90273 -230.62073 10.28200 2.74675 -230.71473 838.52813
2860.0000 -240.36592 -230.49436 9.87155 2.75994 -230.43440 846.33201
2865.0000 -242.44489 -231.86087 10.58402 2.72116 -231.25879 802.46607
2870.0000 -240.81672 -230.58430 10.23243 2.68236 -232.08341 816.65554
2875.0000 -242.26256 -231.94364 10.31892 2.72203 -231.24015 820.30207
2880.0000 -242.24263 -232.93830 9.30433 2.67164 -232.31134 791.37310
2885.0000 -242.45824 -232.98863 9.46960 2.63138 -233.16704 770.34551
2890.0000 -241.47971 -232.03692 9.44278 2.68411 -232.04632 805.67243
2895.0000 -241.81412 -230.82979 10.98433 2.68199 -232.09129 787.66225
2900.0000 -241.80176 -231.67183 10.12993 2.71890 -231.30667 811.94911
2905.0000 -240.53031 -231.04968 9.48063 2.68575 -232.01127 789.67066
2910.0000 -241.10232 -230.42645 10.67587 2.72364 -231.20591 811.58787
2915.0000 -241.88775 -231.16541 10.72234 2.73685 -230.92523 836.28850
2920.0000 -243.53196 -233.85497 9.67699 2.67160 -232.31222 793.99584
2925.0000 -243.39697 -232.81611 10.58086 2.65758 -232.61005 789.33400
2930.0000 -240.29114 -230.16024 10.13090 2.69369 -231.84270 815.86190
2935.0000 -241.36673 -231.72204 9.64468 2.72008 -231.28154 817.98590
2940.0000 -241.46206 -230.70292 10.75914 2.72681 -231.13857 840.63195
2945.0000 -241.43957 -230.38042 11.05914 2.77530 -230.10787 868.10996
2950.0000 -242.16473 -230.07631 12.08842 2.79167 -229.75998 886.69410
2955.0000 -240.98866 -229.32561 11.66306 2.86362 -228.23045 905.81274
2960.0000 -239.55076 -229.50566 10.04509 2.82774 -228.99317 879.50312
2965.0000 -240.36183 -228.54526 11.81657 2.81895 -229.18010 881.83341
2970.0000 -240.49501 -229.28608 11.20893 2.82713 -229.00624 880.25955
2975.0000 -239.80296 -227.89804 11.90492 2.81817 -229.19654 872.44288
2980.0000 -241.21015 -230.34197 10.86817 2.82072 -229.14247 862.71695
2985.0000 -239.63828 -228.64721 10.99108 2.77333 -230.14979 845.21237
2990.0000 -239.58179 -230.06689 9.51490 2.82265 -229.10148 878.32955
2995.0000 -240.77132 -230.61407 10.15725 2.70899 -231.51729 797.98539
3000.0000 -240.13695 -230.02092 10.11603 2.75083 -230.62802 841.27918
FREEZING PROCESS: loop number 13 T-loop= 804.00000000000000
main_MD> interactions number 13 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23728 2.25231 1.66586
force_rgl> df(natom) -0.12620 -0.06948 1.07423
3005.0000 -242.29195 -232.15695 10.13499 2.74235 -230.80835 848.18103
3010.0000 -244.18885 -234.88873 9.30012 2.61628 -233.48813 770.48103
3015.0000 -243.50604 -232.58889 10.91715 2.60440 -233.74065 762.83987
3020.0000 -240.75480 -230.92787 9.82693 2.69762 -231.75911 805.02210
3025.0000 -240.82769 -230.29219 10.53550 2.76232 -230.38378 816.00545
3030.0000 -241.49672 -230.41616 11.08056 2.74067 -230.84390 828.37782
3035.0000 -243.38315 -232.02051 11.36264 2.68113 -232.10952 796.04817
3040.0000 -241.13662 -230.84794 10.28868 2.70292 -231.64636 809.03197
3045.0000 -241.83578 -230.87369 10.96209 2.76128 -230.40599 831.27176
3050.0000 -241.70663 -230.41993 11.28670 2.73249 -231.01785 838.71624
3055.0000 -242.15558 -231.06342 11.09216 2.74440 -230.76464 849.08567
3060.0000 -244.15260 -233.31111 10.84150 2.66202 -232.51567 802.26253
3065.0000 -242.77571 -233.42469 9.35102 2.60148 -233.80260 759.61527
3070.0000 -242.32890 -232.33414 9.99477 2.61340 -233.54923 752.62101
3075.0000 -242.35919 -232.14530 10.21389 2.70415 -231.62032 816.98579
3080.0000 -243.13562 -233.01768 10.11794 2.62660 -233.26859 743.75857
3085.0000 -244.05290 -235.67306 8.37984 2.60109 -233.81094 745.26512
3090.0000 -242.24688 -233.68262 8.56426 2.53388 -235.23958 703.33186
3095.0000 -240.95617 -230.95659 9.99958 2.68432 -232.04171 800.47517
3100.0000 -241.68193 -229.76737 11.91456 2.75708 -230.49525 847.51796
3105.0000 -243.04003 -232.69202 10.34801 2.72070 -231.26838 837.20239
3110.0000 -241.67685 -232.00553 9.67131 2.70853 -231.52714 818.30193
3115.0000 -243.99068 -233.55185 10.43883 2.64313 -232.91728 797.16123
3120.0000 -243.24893 -234.98293 8.26600 2.55880 -234.70978 739.89711
3125.0000 -244.49744 -235.88524 8.61220 2.56318 -234.61676 728.32634
3130.0000 -243.83584 -231.45215 12.38369 2.59727 -233.89202 757.27086
3135.0000 -242.60149 -233.05908 9.54242 2.64980 -232.77544 797.59490
3140.0000 -242.45061 -232.25984 10.19077 2.66767 -232.39559 802.45110
3145.0000 -241.99964 -231.05379 10.94585 2.69481 -231.81886 811.08237
3150.0000 -241.44317 -232.48477 8.95840 2.69379 -231.84052 795.10300
3155.0000 -243.44113 -234.17270 9.26843 2.65247 -232.71874 782.48049
3160.0000 -241.94857 -231.65487 10.29370 2.62858 -233.22649 773.27857
3165.0000 -242.10235 -231.99422 10.10813 2.71972 -231.28920 834.61333
3170.0000 -244.20858 -234.85561 9.35297 2.63055 -233.18461 770.51763
3175.0000 -243.29872 -232.35509 10.94363 2.63375 -233.11673 780.42846
3180.0000 -242.79253 -232.71674 10.07579 2.65715 -232.61924 800.18585
3185.0000 -242.73327 -233.60561 9.12766 2.64258 -232.92909 790.27557
3190.0000 -242.85534 -233.93255 8.92279 2.56833 -234.50723 706.58570
3195.0000 -242.69817 -233.23592 9.46225 2.61616 -233.49053 751.73530
3200.0000 -241.01592 -231.55630 9.45961 2.66884 -232.37075 799.12195
3205.0000 -241.24922 -231.16381 10.08541 2.74996 -230.64642 846.31367
3210.0000 -241.29689 -231.80160 9.49529 2.71071 -231.48078 789.24950
3215.0000 -240.28615 -231.27057 9.01558 2.69284 -231.86067 800.76240
3220.0000 -243.66198 -232.25208 11.40990 2.70874 -231.52263 825.02550
3225.0000 -242.55434 -232.70165 9.85269 2.69858 -231.73858 799.94813
3230.0000 -241.64270 -232.19165 9.45106 2.66688 -232.41245 778.23777
3235.0000 -243.13909 -233.34744 9.79165 2.64361 -232.90708 784.86598
3240.0000 -243.38965 -234.98807 8.40157 2.60835 -233.65664 741.13121
3245.0000 -243.20261 -234.25287 8.94974 2.59604 -233.91817 733.91997
3250.0000 -242.10845 -232.44822 9.66023 2.62231 -233.35995 753.41783
FREEZING PROCESS: loop number 14 T-loop= 779.00000000000000
main_MD> interactions number 14 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10685 -1.86568 -4.89345
force_rgl> df(natom) -5.26378 -2.35947 0.48350
3255.0000 -242.97557 -231.57647 11.39910 2.66962 -232.35429 808.90031
3260.0000 -241.66344 -233.03172 8.63171 2.68862 -231.95033 807.83343
3265.0000 -241.59223 -231.75946 9.83277 2.69400 -231.83604 813.45411
3270.0000 -242.40297 -232.24522 10.15774 2.68905 -231.94123 792.48250
3275.0000 -243.76314 -233.38178 10.38137 2.63119 -233.17106 780.91109
3280.0000 -243.90964 -234.23771 9.67193 2.63178 -233.15866 778.29483
3285.0000 -244.55646 -235.07462 9.48183 2.57853 -234.29040 757.26155
3290.0000 -244.34141 -233.60936 10.73206 2.58131 -234.23133 753.71294
3295.0000 -243.26904 -233.50786 9.76118 2.62409 -233.32207 793.98439
3300.0000 -243.35895 -232.96823 10.39072 2.60379 -233.75346 761.54503
3305.0000 -242.73070 -232.83284 9.89786 2.66418 -232.46987 806.47038
3310.0000 -243.89494 -234.79657 9.09837 2.59107 -234.02392 756.47667
3315.0000 -242.53529 -233.41992 9.11537 2.60372 -233.75498 771.74511
3320.0000 -244.51442 -235.06337 9.45105 2.62269 -233.35170 778.86313
3325.0000 -243.63864 -234.84231 8.79633 2.53422 -235.23226 731.00878
3330.0000 -242.86727 -234.51189 8.35538 2.52720 -235.38162 700.81216
3335.0000 -244.08327 -233.89752 10.18575 2.58744 -234.10111 757.69872
3340.0000 -243.74827 -234.38004 9.36824 2.57488 -234.36806 730.10555
3345.0000 -244.21665 -234.56491 9.65174 2.55374 -234.81737 746.13823
3350.0000 -242.85731 -232.62980 10.22750 2.64126 -232.95705 781.93422
3355.0000 -243.54353 -233.10973 10.43381 2.64761 -232.82214 783.62746
3360.0000 -244.29612 -234.12708 10.16904 2.58460 -234.16145 751.48855
3365.0000 -243.48439 -234.56141 8.92298 2.58616 -234.12820 765.32401
3370.0000 -244.25830 -234.63157 9.62673 2.56837 -234.50642 733.08471
3375.0000 -243.69718 -234.30292 9.39426 2.54794 -234.94064 736.24454
3380.0000 -242.25252 -232.76994 9.48257 2.60320 -233.76600 756.88364
3385.0000 -242.96006 -232.32981 10.63025 2.64417 -232.89510 771.75434
3390.0000 -242.33365 -231.67237 10.66128 2.65260 -232.71608 779.66015
3395.0000 -242.96845 -232.30440 10.66405 2.67309 -232.28044 804.12286
3400.0000 -243.34418 -232.82468 10.51950 2.63672 -233.05357 782.51737
3405.0000 -243.18308 -233.73044 9.45264 2.64939 -232.78429 783.44692
3410.0000 -243.91940 -233.48068 10.43873 2.59957 -233.84314 742.78251
3415.0000 -243.89111 -233.38179 10.50932 2.61239 -233.57064 763.55044
3420.0000 -242.24790 -232.38859 9.85931 2.66265 -232.50231 812.78816
3425.0000 -241.99654 -230.71331 11.28322 2.66341 -232.48625 788.26062
3430.0000 -241.72037 -231.01241 10.70796 2.76556 -230.31497 857.86805
3435.0000 -242.22158 -230.28920 11.93238 2.72078 -231.26681 821.33755
3440.0000 -242.97282 -233.32767 9.64515 2.68993 -231.92258 796.53993
3445.0000 -243.35526 -232.61625 10.73901 2.67234 -232.29645 814.27570
3450.0000 -242.44414 -232.38865 10.05550 2.69935 -231.72219 817.27857
3455.0000 -241.33723 -231.92632 9.41091 2.66994 -232.34738 792.61619
3460.0000 -240.81141 -231.06765 9.74376 2.71044 -231.48658 821.19825
3465.0000 -241.05860 -229.94025 11.11835 2.77262 -230.16479 857.38220
3470.0000 -241.64240 -232.09398 9.54842 2.69356 -231.84533 786.95730
3475.0000 -242.08128 -231.82714 10.25414 2.69614 -231.79058 797.09662
3480.0000 -241.69386 -231.99200 9.70186 2.66426 -232.46810 813.73350
3485.0000 -240.96727 -230.46120 10.50606 2.68832 -231.95684 798.28281
3490.0000 -240.16896 -229.66206 10.50690 2.76502 -230.32641 834.31757
3495.0000 -242.37983 -232.57930 9.80053 2.72904 -231.09118 839.89659
3500.0000 -241.30317 -232.18287 9.12030 2.68678 -231.98948 792.86543
FREEZING PROCESS: loop number 15 T-loop= 754.00000000000000
main_MD> interactions number 15 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06172 0.98753 -6.30192
force_rgl> df(natom) 2.91244 1.71252 -1.73937
3505.0000 -243.81230 -234.99508 8.81723 2.60216 -233.78817 740.26348
3510.0000 -244.35248 -235.22889 9.12360 2.52827 -235.35881 694.36458
3515.0000 -244.71066 -236.07342 8.63724 2.52512 -235.42579 701.72101
3520.0000 -243.24128 -233.91063 9.33064 2.54212 -235.06432 706.53288
3525.0000 -243.69941 -232.93220 10.76721 2.60167 -233.79864 736.99620
3530.0000 -244.86906 -234.90277 9.96629 2.64205 -232.94035 788.70711
3535.0000 -242.50246 -234.21680 8.28565 2.56878 -234.49779 728.87009
3540.0000 -243.86396 -234.86895 8.99500 2.60805 -233.66304 741.18331
3545.0000 -243.88880 -233.99408 9.89472 2.57117 -234.44691 740.99619
3550.0000 -243.68185 -233.98873 9.69313 2.59260 -233.99143 765.02999
3555.0000 -242.38566 -231.55581 10.82985 2.62599 -233.28172 786.26335
3560.0000 -241.89703 -232.20252 9.69451 2.69407 -231.83460 789.81309
3565.0000 -242.17895 -233.02671 9.15223 2.67862 -232.16288 781.15138
3570.0000 -242.59073 -233.11102 9.47972 2.66961 -232.35438 766.44165
3575.0000 -241.60360 -232.68261 8.92099 2.64590 -232.85851 752.77621
3580.0000 -242.99242 -233.70534 9.28708 2.64355 -232.90836 760.57551
3585.0000 -244.24801 -234.93497 9.31304 2.57939 -234.27212 731.01226
3590.0000 -244.16782 -234.80378 9.36405 2.52776 -235.36967 716.88473
3595.0000 -243.70105 -235.82543 7.87562 2.51009 -235.74526 715.19088
3600.0000 -242.33088 -233.06950 9.26138 2.56935 -234.48550 736.32381
3605.0000 -243.32493 -233.36897 9.95595 2.64753 -232.82379 780.61608
3610.0000 -243.35828 -234.21100 9.14729 2.63043 -233.18734 758.94561
3615.0000 -244.50895 -235.48879 9.02016 2.55871 -234.71183 714.19719
3620.0000 -242.86713 -232.43959 10.42754 2.61721 -233.46830 776.22327
3625.0000 -242.72294 -232.96401 9.75893 2.65025 -232.76589 780.39907
3630.0000 -244.70363 -234.45565 10.24797 2.61731 -233.46614 784.16272
3635.0000 -243.38238 -233.96017 9.42221 2.58169 -234.22334 733.42039
3640.0000 -244.54720 -233.79201 10.75519 2.61947 -233.42028 742.63012
3645.0000 -243.52722 -233.74396 9.78326 2.60528 -233.72192 768.48144
3650.0000 -244.52405 -235.25629 9.26776 2.60829 -233.65795 773.10432
3655.0000 -243.39514 -235.07964 8.31550 2.52365 -235.45706 710.13393
3660.0000 -243.66498 -234.20612 9.45886 2.57099 -234.45067 724.93145
3665.0000 -242.85959 -233.80507 9.05452 2.60348 -233.76007 761.65936
3670.0000 -243.61938 -234.06536 9.55402 2.52687 -235.38845 707.83560
3675.0000 -242.72796 -233.66588 9.06208 2.60166 -233.79874 757.40724
3680.0000 -242.35360 -232.12573 10.22786 2.64992 -232.77305 790.40451
3685.0000 -242.60489 -233.16966 9.43523 2.68176 -232.09612 812.02450
3690.0000 -242.45591 -233.78774 8.66817 2.59959 -233.84275 767.42339
3695.0000 -243.22806 -234.23224 8.99582 2.60152 -233.80179 752.89380
3700.0000 -243.53058 -235.27101 8.25958 2.57493 -234.36690 734.06513
3705.0000 -243.77610 -235.02771 8.74840 2.54959 -234.90568 712.88429
3710.0000 -243.63870 -234.73392 8.90478 2.54338 -235.03769 708.84652
3715.0000 -241.64038 -231.14705 10.49333 2.65667 -232.62953 772.00803
3720.0000 -242.54145 -232.96420 9.57725 2.68071 -232.11848 800.28932
3725.0000 -243.84451 -234.49236 9.35216 2.58708 -234.10876 747.32959
3730.0000 -244.48678 -234.06211 10.42467 2.56463 -234.58600 740.28263
3735.0000 -243.21782 -234.24530 8.97252 2.59845 -233.86693 766.14337
3740.0000 -244.83596 -235.03621 9.79974 2.56295 -234.62158 739.02046
3745.0000 -242.57122 -233.15114 9.42008 2.57595 -234.34527 735.34383
3750.0000 -243.17251 -233.87340 9.29911 2.61605 -233.49303 763.91889
FREEZING PROCESS: loop number 16 T-loop= 729.00000000000000
main_MD> interactions number 16 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.91489 1.75349 -2.19555
force_rgl> df(natom) -0.99012 -2.79509 5.61990
3755.0000 -243.93665 -234.92791 9.00874 2.57504 -234.36472 717.74140
3760.0000 -242.82327 -233.91409 8.90918 2.57343 -234.39876 734.74434
3765.0000 -243.90324 -234.19302 9.71022 2.58601 -234.13136 732.80299
3770.0000 -243.86140 -234.76987 9.09153 2.58092 -234.23966 739.36230
3775.0000 -245.32815 -236.02956 9.29859 2.54245 -235.05727 724.16898
3780.0000 -243.09555 -233.54490 9.55065 2.52273 -235.47661 707.22160
3785.0000 -245.26617 -235.98175 9.28442 2.59104 -234.02460 737.22118
3790.0000 -244.04114 -232.79807 11.24307 2.59564 -233.92668 726.92648
3795.0000 -244.12851 -234.87576 9.25275 2.56646 -234.54710 737.42465
3800.0000 -244.09438 -235.55448 8.53991 2.52990 -235.32407 696.46608
3805.0000 -245.63455 -236.84329 8.79126 2.50244 -235.90784 704.15037
3810.0000 -244.43620 -235.84498 8.59122 2.48620 -236.25307 680.41911
3815.0000 -244.05483 -236.09906 7.95578 2.50699 -235.81111 692.65838
3820.0000 -244.47604 -235.51557 8.96047 2.48527 -236.27281 686.14228
3825.0000 -245.78758 -236.64683 9.14075 2.45155 -236.98964 675.38283
3830.0000 -245.06780 -236.20955 8.85824 2.46179 -236.77179 689.61464
3835.0000 -243.73705 -234.85892 8.87813 2.49808 -236.00041 690.57960
3840.0000 -242.94606 -233.17946 9.76659 2.62004 -233.40816 772.05053
3845.0000 -243.25200 -233.70488 9.54712 2.60749 -233.67498 774.29338
3850.0000 -243.72151 -234.11410 9.60741 2.59273 -233.98857 766.74111
3855.0000 -244.74638 -234.85662 9.88977 2.53544 -235.20629 716.00079
3860.0000 -243.88856 -234.71334 9.17522 2.54104 -235.08744 733.41963
3865.0000 -243.94373 -234.31889 9.62484 2.56862 -234.50106 747.10328
3870.0000 -244.02704 -235.86262 8.16441 2.52186 -235.49497 716.24786
3875.0000 -243.67249 -233.99772 9.67477 2.55071 -234.88188 723.23184
3880.0000 -244.17796 -234.55680 9.62116 2.59949 -233.84489 759.89009
3885.0000 -244.50186 -235.31330 9.18855 2.54112 -235.08569 706.30184
3890.0000 -243.15862 -234.06155 9.09707 2.55101 -234.87533 719.41863
3895.0000 -244.62709 -234.36918 10.25791 2.60887 -233.64555 754.69265
3900.0000 -244.63925 -235.23758 9.40167 2.55735 -234.74058 740.44701
3905.0000 -245.40066 -236.18535 9.21531 2.47835 -236.41994 675.51849
3910.0000 -244.56998 -236.00083 8.56915 2.49268 -236.11522 686.04042
3915.0000 -243.72439 -235.22404 8.50035 2.53246 -235.26965 698.62823
3920.0000 -243.46215 -235.07653 8.38562 2.52885 -235.34648 695.96644
3925.0000 -243.02435 -232.36055 10.66380 2.59456 -233.94974 743.77833
3930.0000 -243.90900 -234.68938 9.21963 2.61629 -233.48772 756.49595
3935.0000 -243.73662 -235.10757 8.62905 2.55796 -234.72772 740.93638
3940.0000 -244.31791 -235.46544 8.85247 2.51014 -235.74414 692.01006
3945.0000 -243.71403 -235.48660 8.22743 2.50777 -235.79456 690.07682
3950.0000 -244.33165 -235.48443 8.84722 2.51085 -235.72904 693.97167
3955.0000 -243.13676 -233.36163 9.77514 2.59483 -233.94389 737.71103
3960.0000 -244.93032 -235.71673 9.21359 2.60902 -233.64225 769.87635
3965.0000 -244.60667 -235.13406 9.47260 2.52451 -235.43881 706.63629
3970.0000 -244.10944 -234.43115 9.67828 2.56752 -234.52450 731.73847
3975.0000 -244.22324 -235.03241 9.19083 2.60616 -233.70323 755.01474
3980.0000 -244.42884 -235.74115 8.68769 2.52311 -235.46837 700.30534
3985.0000 -245.53557 -235.42627 10.10929 2.52750 -235.37524 714.69933
3990.0000 -245.05155 -236.98469 8.06686 2.49148 -236.14071 690.45812
3995.0000 -244.64734 -236.09450 8.55285 2.48286 -236.32398 681.14140
4000.0000 -244.40944 -236.21172 8.19772 2.53623 -235.18949 719.00610
FREEZING PROCESS: loop number 17 T-loop= 704.00000000000000
main_MD> interactions number 17 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.07889 0.20338 -2.78445
force_rgl> df(natom) -2.12485 1.11525 -0.47074
4005.0000 -244.44161 -235.42540 9.01621 2.49800 -236.00212 698.24948
4010.0000 -244.79030 -237.11654 7.67376 2.48986 -236.17523 698.03332
4015.0000 -244.30893 -235.90537 8.40356 2.48377 -236.30474 704.47801
4020.0000 -243.32226 -234.44351 8.87875 2.55994 -234.68550 717.70892
4025.0000 -243.63408 -234.59655 9.03753 2.56924 -234.48802 724.77788
4030.0000 -244.27608 -234.70940 9.56668 2.55448 -234.80169 731.21664
4035.0000 -243.81528 -235.02491 8.79037 2.55743 -234.73886 729.11826
4040.0000 -245.98184 -236.93205 9.04978 2.49631 -236.03820 697.58414
4045.0000 -243.84163 -235.62139 8.22024 2.48786 -236.21768 700.82862
4050.0000 -244.04349 -235.52686 8.51663 2.51083 -235.72942 705.84665
4055.0000 -245.08846 -236.68694 8.40152 2.48632 -236.25050 674.37573
4060.0000 -243.46221 -234.30332 9.15888 2.54072 -235.09425 723.98031
4065.0000 -243.56517 -236.00918 7.55599 2.53224 -235.27430 711.20207
4070.0000 -244.18502 -235.12579 9.05923 2.51248 -235.69441 684.25864
4075.0000 -243.02977 -234.13329 8.89649 2.52294 -235.47210 686.98983
4080.0000 -242.48586 -233.69518 8.79068 2.60117 -233.80931 757.45972
4085.0000 -244.19343 -235.13005 9.06338 2.54084 -235.09160 706.24453
4090.0000 -243.53967 -234.28178 9.25789 2.55512 -234.78799 696.39914
4095.0000 -244.97169 -235.82092 9.15077 2.52579 -235.41149 712.77540
4100.0000 -245.28461 -236.34974 8.93486 2.52532 -235.42152 716.63851
4105.0000 -245.04436 -236.64192 8.40244 2.46480 -236.70790 711.22089
4110.0000 -244.99876 -235.33237 9.66639 2.45699 -236.87402 669.33339
4115.0000 -243.94864 -235.73446 8.21418 2.55157 -234.86347 717.66520
4120.0000 -244.67401 -236.42956 8.24446 2.48811 -236.21253 677.19520
4125.0000 -246.20070 -237.26593 8.93477 2.44737 -237.07849 661.34525
4130.0000 -244.43999 -236.40316 8.03683 2.48601 -236.25696 700.94379
4135.0000 -245.38003 -236.67191 8.70813 2.46896 -236.61941 679.50252
4140.0000 -244.71008 -235.26405 9.44603 2.51914 -235.55280 720.62823
4145.0000 -244.39269 -236.29853 8.09415 2.52828 -235.35856 730.42858
4150.0000 -244.66954 -235.62635 9.04319 2.51236 -235.69703 698.16449
4155.0000 -247.12093 -237.64600 9.47493 2.48211 -236.34006 690.72526
4160.0000 -244.68848 -236.39442 8.29406 2.49530 -236.05955 697.84965
4165.0000 -243.76234 -234.52936 9.23298 2.53691 -235.17519 719.46897
4170.0000 -243.79633 -232.64847 11.14786 2.61289 -233.56008 766.74973
4175.0000 -243.29930 -233.92009 9.37920 2.59791 -233.87850 744.32100
4180.0000 -244.44018 -235.75713 8.68305 2.53510 -235.21368 720.29952
4185.0000 -244.45953 -234.33975 10.11977 2.57082 -234.45430 734.80699
4190.0000 -244.28297 -234.76378 9.51919 2.54084 -235.09154 717.20598
4195.0000 -244.83767 -235.73478 9.10289 2.50030 -235.95337 707.44243
4200.0000 -244.00937 -234.63150 9.37787 2.55331 -234.82655 722.10071
4205.0000 -244.22865 -236.32383 7.90481 2.53887 -235.13349 707.90134
4210.0000 -245.73874 -237.32112 8.41762 2.47371 -236.51858 675.33687
4215.0000 -244.83309 -236.25919 8.57389 2.47325 -236.52827 682.29160
4220.0000 -246.44114 -237.99233 8.44882 2.43758 -237.28643 665.19702
4225.0000 -247.08192 -238.68182 8.40010 2.35616 -239.01718 612.01068
4230.0000 -243.17056 -234.96763 8.20293 2.46532 -236.69690 691.69863
4235.0000 -244.24801 -236.25063 7.99738 2.51957 -235.54371 709.15145
4240.0000 -244.53382 -235.54140 8.99242 2.53010 -235.31982 715.32043
4245.0000 -246.03009 -237.32873 8.70136 2.48256 -236.33038 697.00450
4250.0000 -245.33511 -236.71271 8.62239 2.45988 -236.81251 692.74905
FREEZING PROCESS: loop number 18 T-loop= 679.00000000000000
main_MD> interactions number 18 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54503 -4.45453 -0.32506
force_rgl> df(natom) -0.99195 0.25572 -0.98169
4255.0000 -243.07677 -234.72777 8.34900 2.51264 -235.69094 719.59115
4260.0000 -244.34510 -235.82091 8.52419 2.53577 -235.19929 716.04292
4265.0000 -243.77132 -234.22262 9.54871 2.55823 -234.72189 734.85343
4270.0000 -245.04127 -236.53481 8.50646 2.52875 -235.34867 719.98482
4275.0000 -244.58809 -236.78532 7.80277 2.45197 -236.98053 640.36580
4280.0000 -243.48065 -235.31708 8.16358 2.49070 -236.15747 681.80836
4285.0000 -245.55187 -236.94586 8.60601 2.47895 -236.40703 670.32339
4290.0000 -244.89429 -237.22785 7.66644 2.45022 -237.01783 665.20427
4295.0000 -244.46748 -236.09149 8.37598 2.48604 -236.25643 705.64549
4300.0000 -244.09329 -236.52290 7.57040 2.48828 -236.20883 683.24747
4305.0000 -241.86892 -232.62916 9.23975 2.58764 -234.09681 750.35614
4310.0000 -243.32021 -234.44122 8.87899 2.63864 -233.01264 763.42277
4315.0000 -244.22718 -236.14273 8.08445 2.53977 -235.11434 705.63308
4320.0000 -245.57103 -236.82184 8.74919 2.47442 -236.50337 681.38729
4325.0000 -244.27047 -235.34593 8.92454 2.49936 -235.97333 706.80495
4330.0000 -244.46895 -233.85151 10.61743 2.55488 -234.79323 752.29347
4335.0000 -243.11241 -234.50040 8.61201 2.58881 -234.07185 739.62515
4340.0000 -243.39096 -234.96243 8.42853 2.56019 -234.68025 714.46715
4345.0000 -245.50722 -236.39411 9.11311 2.52266 -235.47794 691.76510
4350.0000 -246.08470 -236.40626 9.67843 2.46059 -236.79732 650.63984
4355.0000 -244.91757 -236.07027 8.84730 2.49308 -236.10689 694.31871
4360.0000 -244.49477 -235.38786 9.10690 2.53035 -235.31459 696.70458
4365.0000 -244.88108 -237.39969 7.48139 2.46434 -236.71773 673.02695
4370.0000 -245.60763 -237.45866 8.14897 2.44405 -237.14893 674.02383
4375.0000 -245.88130 -238.20850 7.67280 2.41338 -237.80089 658.32415
4380.0000 -245.29147 -237.17162 8.11985 2.39735 -238.14172 647.60760
4385.0000 -246.29728 -236.78242 9.51486 2.45833 -236.84549 679.58044
4390.0000 -246.28593 -238.57597 7.70996 2.40816 -237.91176 682.03174
4395.0000 -246.38775 -237.96290 8.42485 2.38634 -238.37570 647.25455
4400.0000 -244.49200 -237.12988 7.36212 2.44403 -237.14935 685.30731
4405.0000 -245.57254 -237.12187 8.45067 2.43733 -237.29188 642.03258
4410.0000 -244.83807 -236.86436 7.97371 2.46701 -236.66091 658.31010
4415.0000 -246.10129 -237.55290 8.54839 2.41385 -237.79088 639.85247
4420.0000 -243.32000 -235.11149 8.20851 2.50087 -235.94125 690.26759
4425.0000 -242.90804 -234.76497 8.14307 2.53400 -235.23699 694.52337
4430.0000 -245.67107 -236.77684 8.89423 2.49359 -236.09595 684.58397
4435.0000 -245.36257 -237.15948 8.20309 2.43891 -237.25833 647.28014
4440.0000 -244.82279 -236.70172 8.12107 2.45563 -236.90281 665.27402
4445.0000 -245.22675 -236.94088 8.28587 2.46428 -236.71887 664.02075
4450.0000 -245.10158 -235.42832 9.67326 2.48729 -236.22994 687.73068
4455.0000 -244.67059 -235.91127 8.75932 2.51215 -235.70142 713.76048
4460.0000 -245.52572 -235.85100 9.67471 2.48162 -236.35038 683.91937
4465.0000 -245.78835 -237.23285 8.55550 2.48770 -236.22123 679.15091
4470.0000 -246.35762 -237.45376 8.90386 2.42967 -237.45457 661.77998
4475.0000 -244.51051 -235.48681 9.02370 2.49541 -236.05727 690.87145
4480.0000 -245.29913 -235.99102 9.30810 2.51614 -235.61666 710.77946
4485.0000 -245.18041 -235.98943 9.19098 2.46702 -236.66073 685.39151
4490.0000 -245.03606 -237.10904 7.92701 2.46054 -236.79845 678.19862
4495.0000 -245.61673 -237.26095 8.35578 2.44362 -237.15808 679.06324
4500.0000 -246.42018 -237.92839 8.49179 2.42015 -237.65702 645.81010
FREEZING PROCESS: loop number 19 T-loop= 654.00000000000000
main_MD> interactions number 19 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.26728 -0.84748 1.03246
force_rgl> df(natom) -0.33272 2.28566 -1.06200
4505.0000 -245.18600 -235.81460 9.37140 2.45383 -236.94111 671.45815
4510.0000 -245.31556 -236.78451 8.53105 2.48263 -236.32892 678.86947
4515.0000 -246.19848 -238.99648 7.20200 2.42789 -237.49242 637.94937
4520.0000 -245.92258 -237.89468 8.02790 2.38209 -238.46601 615.81129
4525.0000 -244.94450 -236.50129 8.44321 2.45813 -236.84975 652.14574
4530.0000 -245.35222 -236.76341 8.58881 2.46074 -236.79420 652.08397
4535.0000 -245.15551 -235.82963 9.32589 2.47055 -236.58569 677.65368
4540.0000 -244.19354 -236.72903 7.46451 2.46357 -236.73403 665.60955
4545.0000 -244.89850 -235.64240 9.25610 2.51543 -235.63178 689.38763
4550.0000 -245.05559 -236.28768 8.76791 2.50532 -235.84660 675.09336
4555.0000 -244.15033 -234.71436 9.43597 2.48989 -236.17470 693.38053
4560.0000 -244.89042 -237.27806 7.61236 2.49222 -236.12504 688.32633
4565.0000 -245.23754 -237.08973 8.14781 2.42901 -237.46860 639.53190
4570.0000 -246.86055 -237.73600 9.12455 2.42828 -237.48423 648.80331
4575.0000 -245.80894 -238.03156 7.77738 2.39434 -238.20567 641.77575
4580.0000 -246.38514 -238.70623 7.67891 2.38361 -238.43372 651.38598
4585.0000 -245.69483 -238.00042 7.69441 2.40190 -238.04485 680.02876
4590.0000 -246.08867 -238.61431 7.47436 2.42399 -237.57533 663.84584
4595.0000 -245.42765 -236.74874 8.67890 2.40958 -237.88157 646.58159
4600.0000 -245.26069 -236.66258 8.59810 2.45298 -236.95916 651.30329
4605.0000 -245.54546 -237.62528 7.92018 2.45272 -236.96475 662.16367
4610.0000 -245.20814 -237.44448 7.76367 2.42796 -237.49091 675.93129
4615.0000 -245.97491 -238.16449 7.81042 2.38393 -238.42692 631.07973
4620.0000 -246.90151 -239.90501 6.99651 2.33403 -239.48762 590.14367
4625.0000 -246.79988 -239.92570 6.87418 2.34674 -239.21732 580.94621
4630.0000 -246.22747 -238.60473 7.62275 2.38180 -238.47224 613.12173
4635.0000 -246.35100 -238.38088 7.97012 2.40342 -238.01263 624.32213
4640.0000 -246.67722 -238.54359 8.13363 2.38100 -238.48923 621.02565
4645.0000 -246.92313 -239.72195 7.20118 2.31844 -239.81897 587.02901
4650.0000 -245.38632 -237.28469 8.10164 2.36043 -238.92639 614.34750
4655.0000 -244.89724 -236.72152 8.17572 2.42368 -237.58207 663.70198
4660.0000 -245.54984 -236.91061 8.63923 2.45224 -236.97497 664.05695
4665.0000 -245.94190 -238.03892 7.90298 2.42824 -237.48512 648.04577
4670.0000 -245.24928 -237.32226 7.92702 2.40522 -237.97436 623.47060
4675.0000 -245.72282 -236.13841 9.58441 2.47059 -236.58486 675.10905
4680.0000 -246.55998 -238.75856 7.80142 2.45581 -236.89901 661.33560
4685.0000 -246.99491 -238.82486 8.17005 2.38637 -238.37510 629.59268
4690.0000 -247.17774 -239.53683 7.64091 2.34542 -239.24547 606.50128
4695.0000 -246.63741 -238.39653 8.24088 2.35986 -238.93861 611.97859
4700.0000 -246.46238 -238.43642 8.02596 2.37091 -238.70360 628.12598
4705.0000 -245.30451 -237.69164 7.61286 2.38194 -238.46916 620.63185
4710.0000 -246.03089 -237.85983 8.17107 2.45157 -236.98909 660.23239
4715.0000 -245.79325 -238.96101 6.83224 2.38609 -238.38097 614.46015
4720.0000 -246.10921 -237.90869 8.20052 2.39745 -238.13946 633.19832
4725.0000 -244.82350 -237.09523 7.72827 2.43000 -237.44754 657.16853
4730.0000 -244.97218 -236.28923 8.68296 2.48293 -236.32257 678.47345
4735.0000 -245.17723 -237.24439 7.93283 2.48771 -236.22093 693.21409
4740.0000 -246.00334 -237.91607 8.08727 2.38786 -238.34343 621.26493
4745.0000 -247.08315 -239.68293 7.40022 2.33809 -239.40135 584.03308
4750.0000 -245.35075 -237.70194 7.64881 2.35081 -239.13090 599.78764
FREEZING PROCESS: loop number 20 T-loop= 629.00000000000000
main_MD> interactions number 20 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87903 -1.15026 0.84393
force_rgl> df(natom) -1.92446 3.52357 -0.37286
4755.0000 -247.89985 -239.79846 8.10139 2.37500 -238.61673 629.04252
4760.0000 -246.34167 -239.01629 7.32539 2.34696 -239.21282 616.40024
4765.0000 -245.96580 -236.64000 9.32580 2.40588 -237.96025 637.66619
4770.0000 -246.16672 -237.89892 8.26779 2.45568 -236.90172 651.45114
4775.0000 -245.97731 -237.84913 8.12818 2.39422 -238.20813 618.70236
4780.0000 -244.96600 -237.72408 7.24192 2.42998 -237.44795 631.54141
4785.0000 -246.95689 -238.45616 8.50073 2.40860 -237.90255 624.69207
4790.0000 -244.73529 -236.60457 8.13072 2.39217 -238.25174 623.22317
4795.0000 -247.35594 -240.36192 6.99402 2.36774 -238.77106 612.29547
4800.0000 -246.28256 -237.81633 8.46623 2.38725 -238.35624 616.77886
4805.0000 -246.24569 -239.30059 6.94510 2.36344 -238.86244 605.41548
4810.0000 -248.07471 -239.53453 8.54018 2.35504 -239.04102 601.93518
4815.0000 -246.55160 -238.28657 8.26503 2.37820 -238.54860 629.47906
4820.0000 -246.71483 -238.91119 7.80364 2.36755 -238.77506 630.09480
4825.0000 -245.68440 -239.09656 6.58784 2.31496 -239.89293 549.73553
4830.0000 -247.08651 -239.31710 7.76941 2.34618 -239.22923 591.86380
4835.0000 -247.21972 -239.49928 7.72044 2.32404 -239.70001 581.34900
4840.0000 -246.81883 -239.77755 7.04128 2.33874 -239.38739 601.79622
4845.0000 -246.73159 -240.00553 6.72606 2.33263 -239.51725 603.78568
4850.0000 -248.03744 -240.93817 7.09927 2.27870 -240.66375 567.12335
4855.0000 -247.34877 -238.62461 8.72416 2.32050 -239.77524 582.63857
4860.0000 -245.71922 -238.04057 7.67865 2.39426 -238.20736 647.53920
4865.0000 -247.22587 -239.80595 7.41991 2.34503 -239.25367 610.73704
4870.0000 -247.11257 -239.52903 7.58354 2.31851 -239.81738 581.02190
4875.0000 -247.65678 -238.98537 8.67141 2.34275 -239.30229 620.11428
4880.0000 -245.94237 -238.82401 7.11835 2.35840 -238.96947 624.08966
4885.0000 -247.15415 -239.23548 7.91867 2.35470 -239.04830 602.54393
4890.0000 -245.42183 -237.69039 7.73145 2.37274 -238.66465 627.45417
4895.0000 -244.73409 -237.24756 7.48653 2.41964 -237.66793 633.42531
4900.0000 -244.65208 -234.22033 10.43175 2.49786 -236.00522 688.65948
4905.0000 -243.70016 -234.91421 8.78595 2.55290 -234.83522 724.31391
4910.0000 -245.26593 -237.06548 8.20045 2.49077 -236.15581 681.08211
4915.0000 -246.07043 -237.88933 8.18110 2.46021 -236.80547 682.93565
4920.0000 -245.74653 -237.53447 8.21207 2.39552 -238.18054 631.60054
4925.0000 -245.26516 -237.90024 7.36493 2.42249 -237.60725 647.85111
4930.0000 -245.50901 -237.56535 7.94366 2.40501 -237.97878 629.20294
4935.0000 -246.70044 -238.86668 7.83376 2.38604 -238.38212 633.98391
4940.0000 -247.09124 -240.11201 6.97922 2.31741 -239.84076 605.66041
4945.0000 -246.79355 -239.01136 7.78219 2.33653 -239.43437 613.75139
4950.0000 -246.38128 -237.12711 9.25417 2.36733 -238.77973 612.11052
4955.0000 -244.55746 -236.70253 7.85493 2.47767 -236.43444 677.99491
4960.0000 -245.24097 -237.18866 8.05231 2.45179 -236.98451 632.26583
4965.0000 -246.20811 -236.84368 9.36443 2.44842 -237.05604 644.12441
4970.0000 -245.40442 -236.33599 9.06844 2.45399 -236.93779 652.35624
4975.0000 -244.51522 -235.78611 8.72911 2.47717 -236.44487 688.96248
4980.0000 -246.26856 -236.95546 9.31310 2.49726 -236.01783 681.76328
4985.0000 -246.17838 -238.14646 8.03192 2.44484 -237.13209 663.50388
4990.0000 -244.71419 -236.08011 8.63408 2.43840 -237.26898 658.26419
4995.0000 -247.29039 -239.25237 8.03802 2.42372 -237.58104 655.17818
5000.0000 -246.01312 -238.40172 7.61140 2.38532 -238.39735 636.25640
FREEZING PROCESS: loop number 21 T-loop= 604.00000000000000
main_MD> interactions number 21 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80648 0.19291 -1.65461
force_rgl> df(natom) 0.11377 2.36488 1.51024
5005.0000 -248.65428 -240.08500 8.56927 2.33957 -239.36974 624.58466
5010.0000 -246.87529 -238.73154 8.14375 2.32251 -239.73250 617.49359
5015.0000 -247.78338 -239.99820 7.78518 2.33296 -239.51032 635.33064
5020.0000 -247.02692 -239.92795 7.09897 2.32033 -239.77873 610.41113
5025.0000 -246.57588 -239.39503 7.18085 2.34123 -239.33460 606.83435
5030.0000 -247.40440 -238.32690 9.07750 2.33121 -239.54757 611.07513
5035.0000 -246.03252 -239.74762 6.28490 2.36163 -238.90090 612.63904
5040.0000 -246.99782 -239.71044 7.28738 2.30512 -240.10200 561.79351
5045.0000 -247.91695 -239.62737 8.28958 2.35267 -239.09132 605.15555
5050.0000 -248.47663 -240.62791 7.84871 2.27838 -240.67056 560.01428
5055.0000 -247.13297 -240.36738 6.76559 2.27159 -240.81483 565.33813
5060.0000 -248.06693 -239.91086 8.15607 2.33843 -239.39404 597.09659
5065.0000 -249.11284 -240.77672 8.33612 2.29596 -240.29672 585.75731
5070.0000 -247.80917 -240.75078 7.05839 2.26140 -241.03138 555.38779
5075.0000 -248.88921 -241.30391 7.58529 2.28447 -240.54105 598.79058
5080.0000 -247.94925 -240.58269 7.36656 2.26916 -240.86652 580.77755
5085.0000 -247.81874 -241.24945 6.56929 2.24655 -241.34698 569.39356
5090.0000 -247.39801 -240.31068 7.08733 2.24979 -241.27829 576.40828
5095.0000 -247.76739 -240.44667 7.32072 2.31789 -239.83074 622.92568
5100.0000 -248.48523 -240.55874 7.92649 2.27843 -240.66949 609.82754
5105.0000 -249.58106 -241.21755 8.36351 2.26255 -241.00706 604.46415
5110.0000 -248.43724 -240.04856 8.38869 2.27084 -240.83083 619.57040
5115.0000 -247.37404 -238.98611 8.38793 2.31699 -239.84988 645.52402
5120.0000 -247.65637 -239.22397 8.43240 2.36324 -238.86665 671.03570
5125.0000 -246.42357 -239.25865 7.16492 2.32464 -239.68722 620.08186
5130.0000 -247.74299 -239.63858 8.10440 2.32598 -239.65862 601.90049
5135.0000 -247.61663 -239.72286 7.89377 2.33142 -239.54296 610.20182
5140.0000 -247.89299 -240.80858 7.08442 2.29018 -240.41973 565.26397
5145.0000 -247.18778 -237.74113 9.44664 2.34036 -239.35309 608.26774
5150.0000 -247.40802 -240.14528 7.26275 2.34973 -239.15385 612.21536
5155.0000 -247.33311 -239.46062 7.87249 2.31822 -239.82369 585.35401
5160.0000 -245.41684 -237.40824 8.00861 2.40450 -237.98968 634.91924
5165.0000 -244.90911 -236.96955 7.93956 2.43037 -237.43984 660.95837
5170.0000 -245.74857 -237.87725 7.87132 2.42601 -237.53238 651.93221
5175.0000 -246.03651 -237.31634 8.72017 2.42430 -237.56875 660.49272
5180.0000 -246.02404 -238.55408 7.46996 2.41578 -237.74999 651.44716
5185.0000 -246.95792 -237.95710 9.00082 2.40332 -238.01474 641.18026
5190.0000 -246.81415 -239.50735 7.30681 2.35153 -239.11566 579.66975
5195.0000 -247.16868 -239.39217 7.77651 2.36223 -238.88816 604.44836
5200.0000 -245.44853 -237.08641 8.36212 2.36044 -238.92624 598.40015
5205.0000 -246.70702 -238.75809 7.94893 2.40135 -238.05661 627.63508
5210.0000 -248.07625 -239.74384 8.33241 2.35916 -238.95337 603.86415
5215.0000 -247.42177 -240.06754 7.35424 2.30826 -240.03541 592.61929
5220.0000 -248.72012 -241.38911 7.33102 2.30456 -240.11397 601.69953
5225.0000 -249.12440 -241.63178 7.49263 2.28772 -240.47192 592.16412
5230.0000 -247.91073 -240.85864 7.05209 2.26539 -240.94658 587.89580
5235.0000 -247.62776 -239.99869 7.62907 2.28122 -240.61017 589.98162
5240.0000 -248.63302 -241.08653 7.54650 2.29613 -240.29315 618.48501
5245.0000 -248.24008 -239.37429 8.86580 2.28884 -240.44816 598.46352
5250.0000 -248.15729 -240.41176 7.74553 2.32159 -239.75206 613.95450
FREEZING PROCESS: loop number 22 T-loop= 579.00000000000000
main_MD> interactions number 22 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.42739 2.09288 -1.07179
force_rgl> df(natom) -2.02036 -0.73366 -1.82130
5255.0000 -247.80253 -239.89169 7.91084 2.31147 -239.96711 584.12875
5260.0000 -247.88979 -240.27860 7.61119 2.30293 -240.14855 577.71948
5265.0000 -246.75227 -239.85047 6.90180 2.30390 -240.12806 580.03201
5270.0000 -247.95326 -240.89916 7.05410 2.27038 -240.84057 555.64309
5275.0000 -247.64489 -240.42173 7.22316 2.29205 -240.37986 567.65296
5280.0000 -248.37726 -241.35550 7.02176 2.28457 -240.53888 570.94885
5285.0000 -248.30869 -241.06987 7.23882 2.28094 -240.61613 545.10830
5290.0000 -248.12896 -240.53797 7.59099 2.26732 -240.90557 556.47106
5295.0000 -247.11390 -240.07380 7.04010 2.29938 -240.22415 578.80186
5300.0000 -247.90318 -241.10560 6.79758 2.26168 -241.02551 548.55138
5305.0000 -247.26829 -241.04542 6.22287 2.24695 -241.33865 542.82866
5310.0000 -250.04581 -242.34161 7.70421 2.22976 -241.70399 545.58077
5315.0000 -248.92415 -241.07844 7.84571 2.22866 -241.72729 570.22050
5320.0000 -248.15134 -241.23384 6.91750 2.26645 -240.92409 554.29621
5325.0000 -247.89383 -241.19276 6.70107 2.22366 -241.83370 543.02513
5330.0000 -248.40667 -240.96473 7.44194 2.24368 -241.40813 537.73392
5335.0000 -246.70526 -240.59425 6.11101 2.27626 -240.71556 571.97492
5340.0000 -247.16255 -240.29891 6.86363 2.29650 -240.28529 571.91571
5345.0000 -247.28286 -239.68848 7.59438 2.33930 -239.37561 590.35763
5350.0000 -247.02657 -239.86426 7.16231 2.32438 -239.69278 577.63441
5355.0000 -246.61555 -239.03270 7.58285 2.32610 -239.65607 589.71034
5360.0000 -248.03082 -240.74421 7.28661 2.33205 -239.52975 612.89685
5365.0000 -247.49290 -240.35403 7.13887 2.25597 -241.14675 553.36873
5370.0000 -248.34310 -241.40508 6.93802 2.28268 -240.57916 569.24646
5375.0000 -247.76318 -240.72202 7.04116 2.24146 -241.45526 536.09409
5380.0000 -246.88924 -238.71643 8.17282 2.32298 -239.72251 592.98345
5385.0000 -247.46636 -239.52319 7.94318 2.35269 -239.09096 599.64405
5390.0000 -248.56061 -241.18122 7.37939 2.28309 -240.57040 554.57926
5395.0000 -249.28602 -242.09515 7.19088 2.24350 -241.41190 540.72421
5400.0000 -246.75723 -240.66819 6.08904 2.24259 -241.43122 530.18495
5405.0000 -247.48790 -240.25967 7.22824 2.28073 -240.62046 548.05794
5410.0000 -247.55654 -240.69525 6.86129 2.27896 -240.65809 542.15817
5415.0000 -246.79772 -240.18890 6.60882 2.29793 -240.25489 571.32682
5420.0000 -247.45165 -240.52173 6.92991 2.29364 -240.34606 566.47418
5425.0000 -246.11006 -238.61305 7.49701 2.34054 -239.34920 585.24983
5430.0000 -246.82366 -238.67098 8.15267 2.36491 -238.83116 594.49857
5435.0000 -247.23080 -239.35028 7.88052 2.36047 -238.92556 608.60300
5440.0000 -246.96689 -240.39714 6.56976 2.30442 -240.11702 574.16922
5445.0000 -249.25200 -241.79581 7.45619 2.27772 -240.68453 546.79027
5450.0000 -248.56904 -241.81328 6.75576 2.22148 -241.87996 537.03805
5455.0000 -248.81324 -242.28884 6.52440 2.22941 -241.71148 532.36300
5460.0000 -249.55126 -242.56495 6.98631 2.22352 -241.83665 537.73844
5465.0000 -248.40175 -241.10516 7.29659 2.23103 -241.67688 539.64829
5470.0000 -246.60322 -239.47226 7.13096 2.27678 -240.70446 573.19933
5475.0000 -247.42678 -240.00069 7.42609 2.28798 -240.46645 591.82086
5480.0000 -247.57405 -240.54491 7.02914 2.29300 -240.35980 595.45641
5485.0000 -249.40657 -241.15771 8.24886 2.23809 -241.52683 569.61088
5490.0000 -250.00295 -241.69494 8.30801 2.24725 -241.33222 572.02035
5495.0000 -249.41984 -242.11272 7.30712 2.22690 -241.76476 542.75369
5500.0000 -247.29020 -240.26070 7.02950 2.26085 -241.04310 558.76076
FREEZING PROCESS: loop number 23 T-loop= 554.00000000000000
main_MD> interactions number 23 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51721 3.67899 0.25609
force_rgl> df(natom) 1.19916 1.61631 -0.74815
5505.0000 -247.04381 -239.94526 7.09855 2.33391 -239.49013 600.90883
5510.0000 -247.75254 -241.13494 6.61759 2.30621 -240.07885 563.27103
5515.0000 -248.39702 -242.23047 6.16655 2.24628 -241.35286 527.03431
5520.0000 -249.49831 -242.53742 6.96089 2.18716 -242.60956 488.54800
5525.0000 -247.70930 -240.67798 7.03131 2.22363 -241.83425 528.56125
5530.0000 -247.94955 -241.52644 6.42311 2.25137 -241.24468 542.02327
5535.0000 -249.73095 -243.60124 6.12971 2.18469 -242.66194 515.33003
5540.0000 -249.03692 -241.83081 7.20611 2.18392 -242.67824 533.51419
5545.0000 -249.40342 -241.87337 7.53005 2.23458 -241.60152 560.21130
5550.0000 -248.27179 -241.38887 6.88292 2.22938 -241.71208 561.04965
5555.0000 -247.43575 -240.85190 6.58385 2.26703 -240.91166 566.98215
5560.0000 -249.33637 -240.88861 8.44776 2.24889 -241.29736 548.92065
5565.0000 -247.46475 -240.59532 6.86942 2.25777 -241.10866 554.34824
5570.0000 -246.87694 -239.20014 7.67680 2.27600 -240.72100 562.54904
5575.0000 -246.02326 -239.72287 6.30039 2.33786 -239.40606 591.62662
5580.0000 -248.37554 -241.24623 7.12932 2.30527 -240.09890 573.78422
5585.0000 -248.67686 -241.37019 7.30667 2.23293 -241.63649 539.21768
5590.0000 -247.50794 -240.66465 6.84329 2.25120 -241.24830 556.46374
5595.0000 -247.59190 -239.70255 7.88935 2.30491 -240.10653 580.88595
5600.0000 -247.64141 -240.97840 6.66302 2.28827 -240.46030 556.48452
5605.0000 -247.31826 -238.90852 8.40974 2.32615 -239.65505 598.11398
5610.0000 -246.80062 -239.43707 7.36355 2.33403 -239.48758 603.30667
5615.0000 -247.81972 -239.55773 8.26199 2.34625 -239.22786 604.93063
5620.0000 -247.27155 -240.05735 7.21420 2.27909 -240.65542 546.13034
5625.0000 -247.55530 -240.39932 7.15598 2.30618 -240.07953 586.00889
5630.0000 -248.02493 -240.37930 7.64563 2.29731 -240.26810 571.65177
5635.0000 -247.75192 -241.66977 6.08214 2.30118 -240.18586 560.87865
5640.0000 -247.17196 -241.23799 5.93397 2.22110 -241.88812 518.54702
5645.0000 -246.87351 -239.40457 7.46894 2.29820 -240.24913 595.14972
5650.0000 -246.95175 -239.66590 7.28586 2.34734 -239.20474 603.62303
5655.0000 -247.42943 -239.03704 8.39238 2.33093 -239.55347 592.90569
5660.0000 -247.91374 -241.01942 6.89432 2.32543 -239.67033 582.70279
5665.0000 -249.41245 -242.71820 6.69425 2.24881 -241.29908 541.82766
5670.0000 -248.73095 -241.72199 7.00896 2.22803 -241.74080 542.41713
5675.0000 -248.92650 -241.71826 7.20824 2.21136 -242.09513 525.45156
5680.0000 -247.42474 -240.36235 7.06239 2.24198 -241.44424 559.72538
5685.0000 -248.20721 -241.33563 6.87158 2.26549 -240.94447 556.61826
5690.0000 -248.26651 -240.69971 7.56680 2.25342 -241.20105 536.07915
5695.0000 -249.25238 -242.75023 6.50215 2.21507 -242.01623 521.97851
5700.0000 -247.84643 -240.97994 6.86649 2.24454 -241.38968 528.43825
5705.0000 -248.95028 -241.71479 7.23549 2.25904 -241.08154 553.02782
5710.0000 -249.12057 -242.16105 6.95951 2.19099 -242.52797 522.22478
5715.0000 -249.01527 -242.44331 6.57196 2.20045 -242.32688 522.68859
5720.0000 -248.77097 -241.22187 7.54910 2.21995 -241.91246 522.50391
5725.0000 -247.58566 -240.31794 7.26772 2.28524 -240.52463 572.52254
5730.0000 -247.51794 -240.48833 7.02961 2.27786 -240.68162 563.90104
5735.0000 -247.90686 -241.36856 6.53831 2.26732 -240.90556 559.92134
5740.0000 -248.59335 -242.02748 6.56587 2.22045 -241.90184 522.59296
5745.0000 -247.55275 -240.50356 7.04919 2.24561 -241.36698 539.75442
5750.0000 -247.29036 -239.84347 7.44689 2.32419 -239.69679 586.96810
FREEZING PROCESS: loop number 24 T-loop= 529.00000000000000
main_MD> interactions number 24 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38821 2.04970 -1.42693
force_rgl> df(natom) 2.10550 -0.19894 -2.43929
5755.0000 -248.22147 -240.37506 7.84640 2.31712 -239.84700 576.94721
5760.0000 -248.66348 -242.04079 6.62270 2.25566 -241.15346 568.33923
5765.0000 -248.67480 -241.64079 7.03401 2.23355 -241.62336 562.85426
5770.0000 -249.76248 -242.85779 6.90469 2.21423 -242.03406 541.56239
5775.0000 -249.89731 -243.05500 6.84231 2.19771 -242.38512 530.73163
5780.0000 -249.49230 -242.28993 7.20237 2.19492 -242.44450 538.72635
5785.0000 -249.03946 -242.87906 6.16040 2.18312 -242.69535 536.38797
5790.0000 -249.65053 -242.77914 6.87139 2.19508 -242.44110 539.27840
5795.0000 -249.12984 -242.47937 6.65047 2.16363 -243.10969 508.33902
5800.0000 -249.81191 -242.29441 7.51750 2.19475 -242.44813 539.18580
5805.0000 -250.39257 -243.79986 6.59271 2.15766 -243.23656 519.55156
5810.0000 -248.84153 -242.41349 6.42804 2.16934 -242.98815 514.02254
5815.0000 -249.68803 -243.43055 6.25748 2.17408 -242.88742 507.18398
5820.0000 -250.33472 -243.34338 6.99134 2.16031 -243.18026 508.23725
5825.0000 -248.79933 -242.28167 6.51766 2.19900 -242.35773 524.67807
5830.0000 -249.68478 -242.67506 7.00972 2.18524 -242.65023 537.47402
5835.0000 -249.69239 -242.92994 6.76245 2.15956 -243.19614 512.21403
5840.0000 -249.06593 -241.42427 7.64166 2.18567 -242.64105 528.68778
5845.0000 -248.57306 -241.75253 6.82053 2.21660 -241.98370 545.10261
5850.0000 -251.08401 -244.62724 6.45677 2.16181 -243.14841 553.28685
5855.0000 -249.74549 -243.88109 5.86440 2.09609 -244.54518 516.01408
5860.0000 -250.45502 -244.10486 6.35016 2.12780 -243.87128 539.78259
5865.0000 -250.22495 -243.96028 6.26467 2.12623 -243.90470 524.83005
5870.0000 -250.67029 -243.76598 6.90431 2.14064 -243.59829 534.70735
5875.0000 -249.18441 -242.54644 6.63797 2.15637 -243.26390 538.98877
5880.0000 -250.61149 -243.57625 7.03524 2.14367 -243.53389 530.81348
5885.0000 -251.06241 -243.47240 7.59001 2.16013 -243.18401 545.64140
5890.0000 -251.71317 -245.60840 6.10477 2.10701 -244.31305 525.69721
5895.0000 -250.85312 -244.44886 6.40427 2.06564 -245.19242 501.99761
5900.0000 -251.18232 -244.27319 6.90913 2.08902 -244.69556 515.28176
5905.0000 -250.92787 -244.92374 6.00412 2.10755 -244.30175 517.79582
5910.0000 -249.14244 -241.80976 7.33268 2.14361 -243.53506 532.91893
5915.0000 -249.51414 -241.94126 7.57288 2.20742 -242.17888 569.74854
5920.0000 -248.95418 -242.26374 6.69045 2.21726 -241.96958 550.73710
5925.0000 -250.29900 -242.70343 7.59557 2.21472 -242.02367 561.27687
5930.0000 -249.47035 -242.75212 6.71823 2.19585 -242.42469 527.96458
5935.0000 -248.17350 -241.44379 6.72971 2.18482 -242.65929 521.34123
5940.0000 -249.86636 -242.75587 7.11049 2.20684 -242.19108 543.02368
5945.0000 -250.41616 -244.36954 6.04662 2.14579 -243.48886 512.36717
5950.0000 -250.98018 -244.30233 6.67786 2.12472 -243.93678 513.78254
5955.0000 -249.48749 -243.23498 6.25251 2.13762 -243.66241 505.09850
5960.0000 -250.04079 -243.14428 6.89651 2.16525 -243.07528 520.13758
5965.0000 -249.44503 -242.25097 7.19405 2.18343 -242.68875 550.74331
5970.0000 -250.63794 -243.83740 6.80054 2.14487 -243.50841 521.68815
5975.0000 -249.60845 -242.35119 7.25726 2.17373 -242.89503 541.06588
5980.0000 -251.58977 -244.82713 6.76264 2.11995 -244.03808 499.98911
5985.0000 -251.11113 -244.51824 6.59289 2.07687 -244.95388 476.73985
5990.0000 -251.64237 -244.96394 6.67842 2.09155 -244.64171 488.50263
5995.0000 -250.91476 -244.57870 6.33606 2.06202 -245.26935 467.49367
6000.0000 -250.15381 -242.87488 7.27893 2.13197 -243.78252 512.89000
FREEZING PROCESS: loop number 25 T-loop= 504.00000000000000
main_MD> interactions number 25 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81642 -0.49838 -1.46356
force_rgl> df(natom) 0.48855 -2.73134 0.76868
6005.0000 -250.04221 -243.11973 6.92248 2.17001 -242.97391 528.36418
6010.0000 -250.82123 -244.40475 6.41648 2.13923 -243.62836 515.84931
6015.0000 -251.87259 -245.12028 6.75231 2.06489 -245.20835 468.03969
6020.0000 -251.07847 -244.93779 6.14068 2.05426 -245.43436 457.83002
6025.0000 -250.36189 -244.42122 5.94066 2.10026 -244.45665 491.02477
6030.0000 -249.33578 -243.55547 5.78031 2.14356 -243.53620 510.57484
6035.0000 -250.45596 -244.85444 5.60152 2.10395 -244.37816 476.21798
6040.0000 -250.50166 -242.94596 7.55570 2.13593 -243.69844 521.50361
6045.0000 -249.91611 -243.04155 6.87456 2.15890 -243.21007 524.87690
6050.0000 -249.13157 -242.57694 6.55463 2.17383 -242.89271 535.08829
6055.0000 -248.78304 -242.14888 6.63416 2.19184 -242.51008 543.21106
6060.0000 -250.88896 -244.39623 6.49273 2.15632 -243.26498 532.19110
6065.0000 -250.47926 -245.31375 5.16552 2.07386 -245.01781 480.28694
6070.0000 -251.89038 -245.45733 6.43305 2.05839 -245.34668 471.95872
6075.0000 -251.88123 -245.61773 6.26350 2.05915 -245.33042 472.93393
6080.0000 -251.36279 -245.29968 6.06312 2.05804 -245.35412 469.53999
6085.0000 -251.70740 -245.01689 6.69051 2.05258 -245.47002 452.20415
6090.0000 -250.15541 -244.98185 5.17356 2.05688 -245.37863 448.15245
6095.0000 -250.44050 -244.21717 6.22333 2.10793 -244.29354 494.15297
6100.0000 -251.14106 -244.79335 6.34771 2.09327 -244.60529 500.44348
6105.0000 -250.38576 -244.05168 6.33408 2.11252 -244.19607 517.30495
6110.0000 -250.89973 -244.18062 6.71910 2.13130 -243.79685 525.24893
6115.0000 -251.09025 -243.87272 7.21753 2.09383 -244.59336 494.03728
6120.0000 -250.86568 -244.24257 6.62310 2.12978 -243.82913 525.44560
6125.0000 -250.70797 -244.49167 6.21630 2.12122 -244.01102 512.05734
6130.0000 -250.75687 -243.73754 7.01932 2.09736 -244.51826 504.62020
6135.0000 -251.94792 -244.08769 7.86024 2.11537 -244.13549 516.86353
6140.0000 -249.40750 -242.84296 6.56453 2.15273 -243.34128 540.46502
6145.0000 -250.88062 -244.04388 6.83675 2.16352 -243.11191 547.75079
6150.0000 -250.76160 -244.10201 6.65958 2.10317 -244.39470 503.77048
6155.0000 -250.82434 -245.28044 5.54390 2.09841 -244.49589 497.62181
6160.0000 -250.23508 -243.41101 6.82407 2.09734 -244.51874 499.62826
6165.0000 -251.05314 -244.40338 6.64975 2.12184 -243.99784 515.50741
6170.0000 -250.80357 -243.53318 7.27039 2.13059 -243.81201 521.32442
6175.0000 -250.81273 -243.42117 7.39156 2.14461 -243.51381 533.00304
6180.0000 -250.16093 -242.61476 7.54618 2.16909 -242.99347 543.74300
6185.0000 -251.22124 -244.17566 7.04558 2.13384 -243.74284 528.13956
6190.0000 -251.05959 -244.10890 6.95069 2.13792 -243.65610 537.38958
6195.0000 -251.10909 -243.42508 7.68401 2.13330 -243.75434 531.50588
6200.0000 -250.07863 -243.33090 6.74773 2.14377 -243.53183 521.77076
6205.0000 -249.35799 -243.53853 5.81947 2.14137 -243.58283 519.32989
6210.0000 -250.35823 -243.68853 6.66970 2.12373 -243.95774 527.71674
6215.0000 -250.56936 -244.21800 6.35136 2.14216 -243.56594 533.29535
6220.0000 -249.99587 -244.38369 5.61218 2.11055 -244.23783 502.80520
6225.0000 -250.38989 -244.71396 5.67592 2.12093 -244.01717 493.97795
6230.0000 -250.77888 -244.33066 6.44822 2.08309 -244.82163 483.26354
6235.0000 -250.54549 -244.44237 6.10312 2.11499 -244.14355 513.14641
6240.0000 -250.58917 -243.71384 6.87534 2.12071 -244.02183 517.16813
6245.0000 -250.77914 -244.06477 6.71437 2.10525 -244.35049 499.12951
6250.0000 -251.15213 -243.78962 7.36250 2.08582 -244.76345 492.66272
FREEZING PROCESS: loop number 26 T-loop= 479.00000000000000
main_MD> interactions number 26 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74273 -0.69832 0.44491
force_rgl> df(natom) 0.93441 -0.87933 -2.77265
6255.0000 -251.27795 -244.65306 6.62489 2.09669 -244.53252 509.21463
6260.0000 -251.77236 -245.62407 6.14829 2.04655 -245.59823 468.97493
6265.0000 -251.95085 -245.86913 6.08172 2.06176 -245.27493 478.73089
6270.0000 -251.87051 -246.44193 5.42857 2.04856 -245.55560 472.11184
6275.0000 -250.97852 -245.10130 5.87722 2.02781 -245.99664 454.87349
6280.0000 -250.32030 -244.36729 5.95301 2.08579 -244.76425 499.10062
6285.0000 -250.92493 -244.09364 6.83129 2.12525 -243.92545 523.06550
6290.0000 -250.92429 -245.84033 5.08397 2.08450 -244.79164 496.48647
6295.0000 -251.90886 -246.48391 5.42495 2.03892 -245.76050 455.92384
6300.0000 -251.47838 -246.46479 5.01360 1.99139 -246.77085 426.64992
6305.0000 -251.21361 -245.55886 5.65475 2.02838 -245.98456 446.42666
6310.0000 -250.86558 -245.18252 5.68305 2.07132 -245.07171 484.23785
6315.0000 -251.23104 -244.73688 6.49415 2.04850 -245.55681 468.86172
6320.0000 -249.96978 -243.79571 6.17408 2.10747 -244.30344 506.48595
6325.0000 -251.49348 -245.18979 6.30369 2.11098 -244.22867 513.40850
6330.0000 -250.36003 -244.15673 6.20331 2.08084 -244.86945 487.57813
6335.0000 -251.50703 -245.69622 5.81082 2.08119 -244.86205 485.91058
6340.0000 -251.91653 -245.92155 5.99498 2.04664 -245.59637 473.25598
6345.0000 -251.35142 -245.49131 5.86011 2.02911 -245.96909 455.92036
6350.0000 -251.00563 -244.89347 6.11216 2.09506 -244.56711 510.56566
6355.0000 -252.00911 -246.18557 5.82354 2.06624 -245.17973 486.80091
6360.0000 -251.73166 -245.12529 6.60637 2.05179 -245.48692 485.74057
6365.0000 -251.43128 -245.50347 5.92781 2.05665 -245.38358 479.16567
6370.0000 -251.64885 -245.54227 6.10659 2.04004 -245.73662 464.55089
6375.0000 -251.47100 -245.42557 6.04544 2.08314 -244.82048 494.52864
6380.0000 -251.71195 -244.90176 6.81019 2.07655 -244.96053 496.46822
6385.0000 -251.76427 -245.89519 5.86908 2.05429 -245.43369 481.19976
6390.0000 -250.53961 -244.64210 5.89751 2.05863 -245.34142 484.73687
6395.0000 -252.71027 -245.66929 7.04098 2.05810 -245.35281 483.14242
6400.0000 -252.09172 -246.12673 5.96499 2.03086 -245.93184 460.83006
6405.0000 -251.84221 -245.37997 6.46224 2.04987 -245.52777 483.20097
6410.0000 -251.47916 -245.12019 6.35896 2.05752 -245.36519 478.34250
6415.0000 -251.42081 -244.89679 6.52402 2.07229 -245.05112 487.10250
6420.0000 -250.37843 -243.61748 6.76095 2.11785 -244.08264 523.98901
6425.0000 -250.01106 -244.40677 5.60429 2.10670 -244.31972 513.81543
6430.0000 -250.69485 -243.81416 6.88069 2.09954 -244.47193 499.65097
6435.0000 -250.38155 -244.27965 6.10189 2.12558 -243.91831 512.35942
6440.0000 -250.52655 -245.81158 4.71497 2.06819 -245.13825 454.95136
6445.0000 -251.45568 -245.87608 5.57960 2.01402 -246.28968 426.61478
6450.0000 -251.55357 -245.25212 6.30145 2.02568 -246.04194 439.75137
6455.0000 -251.38325 -244.69659 6.68667 2.08291 -244.82542 477.14943
6460.0000 -251.05429 -245.37794 5.67635 2.07493 -244.99510 464.32534
6465.0000 -250.35569 -244.54603 5.80966 2.05546 -245.40889 454.52319
6470.0000 -250.47504 -243.53064 6.94440 2.10977 -244.25452 488.29289
6475.0000 -250.08475 -244.02150 6.06325 2.13491 -243.72011 513.58152
6480.0000 -250.90203 -244.91048 5.99155 2.08230 -244.83839 477.31782
6485.0000 -250.94030 -245.44591 5.49440 2.07264 -245.04366 467.55469
6490.0000 -252.23976 -246.47678 5.76298 2.03252 -245.89643 448.34157
6495.0000 -251.95256 -245.93315 6.01940 1.99855 -246.61849 427.26669
6500.0000 -250.75921 -244.97633 5.78288 2.06640 -245.17634 480.26738
FREEZING PROCESS: loop number 27 T-loop= 454.00000000000000
main_MD> interactions number 27 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56766 -1.31685 -5.27470
force_rgl> df(natom) 1.06147 4.98324 -0.92685
6505.0000 -251.73505 -246.82526 4.90979 2.03839 -245.77175 462.40673
6510.0000 -252.87173 -247.07331 5.79841 1.97911 -247.03172 422.97498
6515.0000 -253.47584 -248.19699 5.27885 1.94574 -247.74110 407.66710
6520.0000 -252.83791 -247.32743 5.51047 1.95021 -247.64617 408.68789
6525.0000 -252.86477 -247.21163 5.65314 1.99583 -246.67631 443.53618
6530.0000 -252.37709 -246.60425 5.77284 1.99627 -246.66712 439.94564
6535.0000 -252.51419 -247.12993 5.38426 2.00199 -246.54543 450.02732
6540.0000 -252.35692 -246.77813 5.57879 1.96945 -247.23723 422.49696
6545.0000 -251.95564 -246.22377 5.73187 2.00462 -246.48964 441.07813
6550.0000 -252.05221 -246.27310 5.77911 2.03429 -245.85890 458.39331
6555.0000 -251.10014 -244.97537 6.12476 2.03299 -245.88659 441.26146
6560.0000 -251.36815 -245.41459 5.95356 2.08180 -244.84896 472.83375
6565.0000 -251.16956 -244.56361 6.60595 2.06533 -245.19915 475.57287
6570.0000 -250.82440 -244.31352 6.51087 2.10072 -244.44680 490.54428
6575.0000 -250.92458 -244.71094 6.21364 2.09893 -244.48484 476.91860
6580.0000 -251.15486 -243.81810 7.33676 2.09437 -244.58174 472.58882
6585.0000 -251.14108 -245.11868 6.02240 2.11356 -244.17393 504.44726
6590.0000 -251.42672 -245.91429 5.51243 2.03132 -245.92211 445.00118
6595.0000 -250.54227 -245.16017 5.38210 2.04890 -245.54826 455.65947
6600.0000 -251.64666 -244.94394 6.70272 2.07626 -244.96671 487.93001
6605.0000 -252.02864 -246.63541 5.39322 2.06976 -245.10493 483.51669
6610.0000 -252.56454 -247.20756 5.35698 1.99790 -246.63245 436.06542
6615.0000 -251.88812 -245.16402 6.72409 2.03695 -245.80226 463.87977
6620.0000 -251.56803 -245.64894 5.91909 2.04760 -245.57601 457.49603
6625.0000 -251.95076 -245.83244 6.11832 2.01984 -246.16600 436.25732
6630.0000 -250.75675 -245.62059 5.13615 2.03780 -245.78427 445.85609
6635.0000 -249.85098 -244.51257 5.33841 2.08471 -244.78725 489.77163
6640.0000 -251.04035 -245.44602 5.59433 2.06910 -245.11889 481.69700
6645.0000 -251.53258 -245.52473 6.00784 2.05065 -245.51114 473.30521
6650.0000 -251.63499 -245.99928 5.63572 2.02230 -246.11385 451.29447
6655.0000 -252.07000 -246.00884 6.06115 2.02742 -246.00495 456.58204
6660.0000 -251.54878 -245.86904 5.67974 2.03201 -245.90741 466.85316
6665.0000 -251.51443 -245.89510 5.61932 2.03448 -245.85476 457.19653
6670.0000 -250.18474 -244.42161 5.76313 2.06173 -245.27553 475.02649
6675.0000 -250.88705 -245.25914 5.62791 2.08405 -244.80118 494.46472
6680.0000 -251.70986 -245.95181 5.75805 2.01733 -246.21935 446.13998
6685.0000 -252.67315 -246.44137 6.23178 2.01303 -246.31073 442.00006
6690.0000 -250.63390 -245.04858 5.58532 2.02165 -246.12762 428.29741
6695.0000 -251.34345 -245.91420 5.42925 2.04633 -245.60300 437.10747
6700.0000 -251.44083 -245.29342 6.14740 2.03932 -245.75201 430.97299
6705.0000 -250.46516 -244.47550 5.98966 2.06473 -245.21184 461.52306
6710.0000 -251.18112 -244.98958 6.19153 2.07387 -245.01748 457.79406
6715.0000 -251.00625 -244.69276 6.31350 2.05999 -245.31251 445.78099
6720.0000 -250.35582 -244.97771 5.37811 2.08796 -244.71810 467.31703
6725.0000 -249.84166 -243.45658 6.38508 2.10834 -244.28491 491.35963
6730.0000 -250.80884 -244.51377 6.29508 2.12352 -243.96230 502.30143
6735.0000 -250.68652 -245.24842 5.43810 2.08694 -244.73978 465.89191
6740.0000 -250.10252 -244.58614 5.51638 2.05792 -245.35660 452.59376
6745.0000 -251.10543 -245.56625 5.53918 2.06146 -245.28143 460.81421
6750.0000 -252.22239 -246.94853 5.27386 1.99412 -246.71272 407.60279
FREEZING PROCESS: loop number 28 T-loop= 429.00000000000000
main_MD> interactions number 28 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35421 -1.48810 0.55381
force_rgl> df(natom) 1.42338 -1.98941 3.99978
6755.0000 -251.77837 -246.53137 5.24700 1.98203 -246.96969 389.95020
6760.0000 -252.04528 -246.05522 5.99006 2.01171 -246.33883 407.09694
6765.0000 -251.69104 -245.96087 5.73018 2.03476 -245.84881 427.44572
6770.0000 -250.75799 -243.62383 7.13416 2.07794 -244.93100 456.39554
6775.0000 -250.36214 -244.46644 5.89571 2.14264 -243.55581 510.69811
6780.0000 -251.25513 -245.97059 5.28454 2.06797 -245.14304 444.29831
6785.0000 -251.31006 -246.19152 5.11853 2.02711 -246.01158 415.20762
6790.0000 -251.46476 -245.81515 5.64961 2.03488 -245.84634 433.43782
6795.0000 -251.74812 -245.85141 5.89671 2.03487 -245.84665 431.84984
6800.0000 -251.57666 -246.86221 4.71445 2.02172 -246.12606 424.59525
6805.0000 -252.07246 -245.77830 6.29417 2.01382 -246.29390 423.60500
6810.0000 -251.81087 -245.91227 5.89860 2.03199 -245.90773 443.31492
6815.0000 -251.92258 -246.49726 5.42532 2.01044 -246.36574 425.53741
6820.0000 -251.93549 -247.20187 4.73363 1.99719 -246.64751 415.35849
6825.0000 -251.71554 -245.96702 5.74852 2.02673 -246.01966 438.20269
6830.0000 -251.58770 -246.18452 5.40318 2.01456 -246.27835 433.82218
6835.0000 -251.39076 -246.40893 4.98184 2.03496 -245.84465 435.06878
6840.0000 -252.01631 -247.05838 4.95793 1.99543 -246.68500 407.86827
6845.0000 -251.44885 -247.28146 4.16739 2.00369 -246.50938 416.07608
6850.0000 -252.41185 -247.12570 5.28615 1.97022 -247.22076 396.71124
6855.0000 -252.01703 -247.56651 4.45052 1.98923 -246.81659 417.92156
6860.0000 -251.85589 -246.83770 5.01820 1.97129 -247.19801 406.92758
6865.0000 -252.10454 -246.47988 5.62465 2.01233 -246.32564 434.30666
6870.0000 -251.39839 -246.26989 5.12850 2.01938 -246.17584 436.40899
6875.0000 -252.30154 -247.33230 4.96924 1.98574 -246.89088 436.07823
6880.0000 -252.48488 -247.37535 5.10953 1.98202 -246.96988 435.75428
6885.0000 -252.43888 -247.43875 5.00013 1.97686 -247.07961 427.34040
6890.0000 -253.06109 -247.37043 5.69066 1.97659 -247.08543 432.12378
6895.0000 -253.17281 -247.51077 5.66204 1.96433 -247.34604 426.55112
6900.0000 -252.43983 -247.70543 4.73440 1.94196 -247.82151 405.56699
6905.0000 -252.91783 -247.70923 5.20861 1.95231 -247.60154 410.76704
6910.0000 -252.28333 -246.96284 5.32049 1.96786 -247.27097 422.68712
6915.0000 -252.94704 -247.77484 5.17221 1.98478 -246.91136 433.29379
6920.0000 -252.90711 -247.13353 5.77357 1.96562 -247.31863 418.90000
6925.0000 -253.27693 -248.48649 4.79045 1.95536 -247.53673 405.94632
6930.0000 -252.96855 -248.18953 4.77902 1.91147 -248.46956 378.00810
6935.0000 -252.07940 -247.00272 5.07668 1.96353 -247.36301 419.20318
6940.0000 -252.22045 -246.50447 5.71599 1.97493 -247.12074 430.01387
6945.0000 -252.35895 -246.60303 5.75592 2.00322 -246.51926 449.34990
6950.0000 -252.77390 -247.32566 5.44824 1.99847 -246.62020 449.43219
6955.0000 -251.63497 -246.39932 5.23565 1.97245 -247.17326 429.73799
6960.0000 -251.70624 -246.03881 5.66743 2.02089 -246.14368 459.67121
6965.0000 -252.30810 -247.54729 4.76080 1.95904 -247.45843 409.93365
6970.0000 -252.98334 -247.67900 5.30433 1.95361 -247.57384 407.45581
6975.0000 -252.78396 -247.71591 5.06805 1.93947 -247.87441 391.14074
6980.0000 -251.40283 -246.30870 5.09413 1.97347 -247.15161 411.60675
6985.0000 -252.42017 -246.84274 5.57743 1.99748 -246.64128 426.27204
6990.0000 -252.00141 -247.05465 4.94675 1.99366 -246.72244 433.13202
6995.0000 -252.67555 -247.81659 4.85896 1.97377 -247.14532 422.89561
7000.0000 -252.06364 -246.79292 5.27071 1.95946 -247.44938 414.33594
FREEZING PROCESS: loop number 29 T-loop= 404.00000000000000
main_MD> interactions number 29 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.12625 0.44812 -4.51098
force_rgl> df(natom) -0.80048 0.44902 -2.63898
7005.0000 -252.58551 -247.26319 5.32232 1.96903 -247.24600 424.34639
7010.0000 -252.50118 -247.34607 5.15511 1.94597 -247.73632 407.96315
7015.0000 -252.44548 -247.89943 4.54604 1.95789 -247.48288 415.40574
7020.0000 -252.63590 -247.36535 5.27055 1.94859 -247.68047 409.48116
7025.0000 -252.43486 -247.29099 5.14387 1.96107 -247.41536 418.55577
7030.0000 -253.02005 -247.84529 5.17476 1.94489 -247.75927 409.64793
7035.0000 -253.17844 -248.40337 4.77507 1.94116 -247.83842 406.08514
7040.0000 -253.17968 -248.37316 4.80652 1.91539 -248.38631 386.43125
7045.0000 -252.89131 -248.00377 4.88755 1.91814 -248.32773 392.70764
7050.0000 -253.21943 -248.26146 4.95798 1.92605 -248.15965 395.22156
7055.0000 -252.82730 -247.77720 5.05010 1.92125 -248.26168 394.75326
7060.0000 -252.90031 -247.24886 5.65146 1.96250 -247.38487 424.94063
7065.0000 -253.51254 -247.76352 5.74902 1.98685 -246.86730 436.78115
7070.0000 -252.81701 -247.55063 5.26638 1.95515 -247.54105 417.82114
7075.0000 -252.86870 -247.57196 5.29674 1.94877 -247.67678 412.36702
7080.0000 -253.14340 -247.42076 5.72264 1.94445 -247.76848 411.37641
7085.0000 -252.37331 -247.22431 5.14900 1.95001 -247.65032 413.65180
7090.0000 -252.68642 -247.55879 5.12763 1.96368 -247.35968 423.98135
7095.0000 -252.78782 -247.87395 4.91387 1.93458 -247.97831 397.46634
7100.0000 -253.17432 -248.29511 4.87922 1.91812 -248.32811 383.91591
7105.0000 -253.09853 -248.36579 4.73275 1.91680 -248.35631 380.41983
7110.0000 -253.55292 -248.84664 4.70629 1.90180 -248.67505 371.24960
7115.0000 -252.83605 -248.01447 4.82158 1.91783 -248.33429 383.35660
7120.0000 -252.73855 -248.14109 4.59746 1.92192 -248.24751 391.23302
7125.0000 -252.78579 -248.03913 4.74666 1.92623 -248.15584 394.03464
7130.0000 -252.62906 -247.30755 5.32151 1.93095 -248.05554 400.43259
7135.0000 -253.03005 -248.48930 4.54075 1.93157 -248.04232 399.08812
7140.0000 -253.77153 -248.35427 5.41726 1.92108 -248.26538 392.26678
7145.0000 -252.73313 -247.13185 5.60129 1.95328 -247.58091 422.57618
7150.0000 -253.55153 -248.63503 4.91650 1.92031 -248.28171 388.07126
7155.0000 -253.33028 -248.91391 4.41637 1.89548 -248.80955 373.27070
7160.0000 -252.93571 -248.00307 4.93265 1.91909 -248.30751 393.61984
7165.0000 -254.30448 -249.13038 5.17410 1.91035 -248.49346 385.78283
7170.0000 -253.05376 -248.24613 4.80764 1.91061 -248.48782 386.96634
7175.0000 -252.46000 -247.36401 5.09599 1.91959 -248.29698 387.48595
7180.0000 -253.39435 -248.27314 5.12121 1.93456 -247.97878 402.21089
7185.0000 -252.91058 -248.25837 4.65221 1.93015 -248.07242 399.66928
7190.0000 -252.97016 -248.11801 4.85215 1.92619 -248.15663 392.74491
7195.0000 -252.86226 -247.40303 5.45923 1.93348 -248.00161 398.69620
7200.0000 -252.45027 -247.20658 5.24369 1.96417 -247.34929 418.50132
7205.0000 -253.12394 -247.03851 6.08543 1.98200 -246.97042 438.42579
7210.0000 -252.79952 -247.46366 5.33586 1.95597 -247.52361 412.96992
7215.0000 -252.92084 -247.41600 5.50484 1.94344 -247.79007 404.23137
7220.0000 -253.13024 -247.65051 5.47974 1.93982 -247.86689 404.62235
7225.0000 -252.73758 -247.25085 5.48673 1.93654 -247.93677 404.99604
7230.0000 -252.40083 -247.23854 5.16229 1.97089 -247.20649 432.73672
7235.0000 -252.80736 -248.04247 4.76489 1.93490 -247.97143 396.84457
7240.0000 -253.48874 -248.47038 5.01837 1.91172 -248.46433 381.03744
7245.0000 -253.94224 -248.91366 5.02859 1.91057 -248.48873 380.59737
7250.0000 -252.85481 -248.27719 4.57762 1.89416 -248.83741 368.40214
FREEZING PROCESS: loop number 30 T-loop= 379.00000000000000
main_MD> interactions number 30 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.27440 0.24125 4.05215
force_rgl> df(natom) -0.87352 -1.79677 0.45032
7255.0000 -254.07556 -249.45932 4.61624 1.88510 -249.03002 362.12884
7260.0000 -253.68446 -248.79375 4.89071 1.87172 -249.31442 354.77303
7265.0000 -253.38010 -249.00754 4.37256 1.88833 -248.96140 368.05319
7270.0000 -253.40626 -248.63425 4.77201 1.89589 -248.80082 368.75751
7275.0000 -253.89428 -248.42559 5.46869 1.93018 -248.07187 393.78051
7280.0000 -252.71822 -248.30628 4.41194 1.91192 -248.46007 377.62071
7285.0000 -253.46514 -248.53721 4.92793 1.92457 -248.19104 386.28049
7290.0000 -253.40808 -248.64430 4.76378 1.90296 -248.65037 367.12601
7295.0000 -253.15275 -248.32256 4.83019 1.90263 -248.65740 364.97829
7300.0000 -253.57405 -248.42712 5.14692 1.92128 -248.26093 379.01888
7305.0000 -254.12049 -249.19000 4.93049 1.88881 -248.95128 362.04330
7310.0000 -253.29896 -247.81154 5.48742 1.89827 -248.75006 368.10303
7315.0000 -253.12529 -248.22131 4.90398 1.93137 -248.04664 396.06100
7320.0000 -253.47510 -249.16944 4.30566 1.88505 -249.03110 357.58588
7325.0000 -253.68425 -248.95892 4.72533 1.91823 -248.32585 385.54074
7330.0000 -253.51677 -249.06532 4.45145 1.91294 -248.43837 378.72632
7335.0000 -252.50216 -247.61984 4.88232 1.90474 -248.61259 372.59369
7340.0000 -253.58532 -249.08422 4.50110 1.90215 -248.66756 366.56795
7345.0000 -252.76942 -247.81986 4.94957 1.91789 -248.33312 383.13819
7350.0000 -253.02357 -247.58298 5.44059 1.94627 -247.72992 403.36087
7355.0000 -253.20974 -247.96455 5.24519 1.96842 -247.25892 416.83227
7360.0000 -253.73859 -248.98885 4.74974 1.92103 -248.26630 382.72494
7365.0000 -253.30417 -248.81268 4.49149 1.87611 -249.22112 349.62702
7370.0000 -254.05380 -249.67815 4.37565 1.89290 -248.86422 357.93882
7375.0000 -253.55789 -248.92258 4.63531 1.87314 -249.28438 345.06533
7380.0000 -252.75008 -248.50503 4.24505 1.89470 -248.82600 364.42430
7385.0000 -253.38980 -248.55737 4.83243 1.91386 -248.41866 377.00542
7390.0000 -253.83656 -249.71870 4.11786 1.88976 -248.93098 360.24487
7395.0000 -253.38198 -248.78543 4.59654 1.88609 -249.00910 355.16159
7400.0000 -252.83106 -247.72500 5.10605 1.92450 -248.19269 385.45596
7405.0000 -253.26074 -247.83426 5.42647 1.95688 -247.50429 406.66288
7410.0000 -253.38134 -248.96592 4.41542 1.90533 -248.60010 369.45803
7415.0000 -253.62837 -247.99993 5.62843 1.93745 -247.91722 393.50665
7420.0000 -253.17067 -248.34104 4.82963 1.91432 -248.40897 377.08271
7425.0000 -253.09654 -248.11648 4.98007 1.91473 -248.40035 376.60914
7430.0000 -253.42228 -249.02862 4.39366 1.91682 -248.35578 379.51707
7435.0000 -253.07386 -248.38574 4.68811 1.90664 -248.57213 369.90995
7440.0000 -253.52908 -248.75170 4.77738 1.94042 -247.85415 398.10080
7445.0000 -253.33793 -248.73018 4.60775 1.91050 -248.49024 377.60796
7450.0000 -253.63046 -249.39659 4.23386 1.88331 -249.06806 361.62747
7455.0000 -253.52870 -249.32614 4.20256 1.86609 -249.43414 346.00363
7460.0000 -253.10609 -248.09210 5.01399 1.89929 -248.72841 371.83679
7465.0000 -253.28411 -248.55480 4.72931 1.92722 -248.13478 394.99213
7470.0000 -254.00033 -249.33993 4.66040 1.88455 -249.04168 362.43745
7475.0000 -253.92196 -249.41994 4.50202 1.87561 -249.23170 354.35249
7480.0000 -253.10901 -249.55151 3.55750 1.85159 -249.74237 334.53499
7485.0000 -253.43252 -248.79751 4.63500 1.87653 -249.21221 354.56277
7490.0000 -253.16418 -248.84013 4.32404 1.89753 -248.76577 366.41520
7495.0000 -252.90273 -248.52930 4.37343 1.91223 -248.45348 382.28711
7500.0000 -253.25210 -247.84188 5.41022 1.92327 -248.21868 388.43790
FREEZING PROCESS: loop number 31 T-loop= 354.00000000000000
main_MD> interactions number 31 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14805 -1.29381 1.12964
force_rgl> df(natom) 2.60915 0.14210 1.09854
7505.0000 -254.18851 -249.50994 4.67857 1.89369 -248.84739 368.02337
7510.0000 -253.38789 -249.08158 4.30630 1.86671 -249.42098 344.14989
7515.0000 -253.45485 -249.50296 3.95190 1.86828 -249.38760 344.14862
7520.0000 -254.20514 -249.94544 4.25970 1.85731 -249.62083 337.78339
7525.0000 -254.32708 -249.69857 4.62851 1.87189 -249.31094 350.60533
7530.0000 -253.61869 -249.38282 4.23587 1.85702 -249.62695 335.15413
7535.0000 -254.40174 -249.99977 4.40198 1.83725 -250.04721 322.27331
7540.0000 -254.43145 -250.47679 3.95466 1.81775 -250.46171 306.77263
7545.0000 -253.13201 -248.34884 4.78317 1.88869 -248.95373 364.61707
7550.0000 -253.73966 -248.67078 5.06888 1.88627 -249.00522 360.50849
7555.0000 -253.96417 -249.47148 4.49269 1.86557 -249.44523 345.86663
7560.0000 -253.50647 -249.31537 4.19110 1.86118 -249.53854 341.89209
7565.0000 -253.53658 -248.43175 5.10483 1.88115 -249.11411 357.53100
7570.0000 -254.06867 -249.11321 4.95546 1.87752 -249.19113 348.46767
7575.0000 -254.06847 -249.38954 4.67893 1.87404 -249.26522 353.63730
7580.0000 -253.92558 -249.13040 4.79518 1.87750 -249.19156 357.82875
7585.0000 -253.37665 -248.31243 5.06423 1.88856 -248.95656 362.99905
7590.0000 -253.71940 -248.92160 4.79780 1.91110 -248.47745 379.41137
7595.0000 -254.19661 -249.82202 4.37459 1.87587 -249.22636 351.84565
7600.0000 -253.63967 -248.78061 4.85906 1.86370 -249.48497 346.51088
7605.0000 -253.38269 -249.27643 4.10625 1.86677 -249.41964 347.72188
7610.0000 -253.65394 -248.77785 4.87609 1.89294 -248.86340 367.67928
7615.0000 -253.09894 -247.70687 5.39207 1.92838 -248.11003 390.18202
7620.0000 -252.95001 -248.18312 4.76690 1.94532 -247.75005 400.26771
7625.0000 -253.33610 -248.69790 4.63820 1.89518 -248.81578 366.90475
7630.0000 -253.97350 -249.81447 4.15902 1.86904 -249.37137 344.69125
7635.0000 -254.46712 -249.68654 4.78058 1.84141 -249.95868 324.29846
7640.0000 -253.81733 -249.83053 3.98681 1.81872 -250.44096 309.51800
7645.0000 -253.89882 -249.58155 4.31727 1.85619 -249.64461 337.76646
7650.0000 -254.50228 -250.04456 4.45773 1.84392 -249.90540 326.59321
7655.0000 -253.77176 -249.43800 4.33377 1.86827 -249.38779 347.52798
7660.0000 -253.75790 -249.48681 4.27108 1.86789 -249.39597 346.65332
7665.0000 -254.30018 -250.52673 3.77345 1.84081 -249.97143 325.30669
7670.0000 -254.20144 -249.94575 4.25569 1.83067 -250.18712 318.07541
7675.0000 -253.65526 -249.46101 4.19425 1.87959 -249.14727 352.12995
7680.0000 -253.49287 -248.64429 4.84858 1.88760 -248.97689 358.21051
7685.0000 -253.33495 -249.37829 3.95666 1.89136 -248.89704 367.18897
7690.0000 -252.89065 -248.62356 4.26709 1.89610 -248.79628 365.38496
7695.0000 -254.21624 -249.64519 4.57105 1.86646 -249.42623 349.25404
7700.0000 -253.28202 -249.06665 4.21537 1.87590 -249.22557 358.38601
7705.0000 -253.20999 -249.02243 4.18756 1.86377 -249.48353 347.03305
7710.0000 -253.66839 -248.66181 5.00659 1.89611 -248.79611 371.07723
7715.0000 -253.29281 -248.28876 5.00404 1.91450 -248.40515 383.12883
7720.0000 -253.59174 -248.81727 4.77446 1.89226 -248.87792 361.55753
7725.0000 -253.54204 -248.65551 4.88652 1.89286 -248.86513 368.08651
7730.0000 -253.72409 -249.16222 4.56187 1.88849 -248.95809 363.07809
7735.0000 -254.14396 -249.75185 4.39210 1.86145 -249.53281 343.59862
7740.0000 -253.99555 -249.56529 4.43026 1.85951 -249.57399 342.37670
7745.0000 -253.25815 -248.38771 4.87044 1.89473 -248.82532 366.42996
7750.0000 -253.59708 -249.12530 4.47178 1.89941 -248.72591 369.80289
FREEZING PROCESS: loop number 32 T-loop= 329.00000000000000
main_MD> interactions number 32 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75122 -0.28233 -3.99611
force_rgl> df(natom) -2.49809 0.04139 -2.85857
7755.0000 -254.29646 -249.91648 4.37997 1.84940 -249.78903 339.62696
7760.0000 -253.91823 -249.87660 4.04163 1.84321 -249.92052 329.29045
7765.0000 -254.27031 -249.90652 4.36378 1.85775 -249.61137 342.55995
7770.0000 -253.59253 -249.16727 4.42526 1.85120 -249.75075 336.91624
7775.0000 -254.07521 -249.27168 4.80353 1.86942 -249.36334 356.53051
7780.0000 -253.45482 -248.97048 4.48434 1.88118 -249.11342 360.24884
7785.0000 -253.56149 -248.54991 5.01158 1.90188 -248.67346 372.82665
7790.0000 -253.82303 -250.34195 3.48108 1.84418 -249.89979 332.83229
7795.0000 -253.50094 -249.18278 4.31816 1.85386 -249.69410 338.68088
7800.0000 -253.84709 -249.53030 4.31679 1.85154 -249.74349 336.97440
7805.0000 -253.55534 -249.44962 4.10572 1.86038 -249.55552 343.63507
7810.0000 -253.90387 -249.41481 4.48906 1.85702 -249.62691 339.72356
7815.0000 -253.90232 -249.21932 4.68300 1.86654 -249.42460 350.75487
7820.0000 -253.16842 -248.96270 4.20572 1.87583 -249.22719 356.83768
7825.0000 -254.52589 -250.62014 3.90575 1.86124 -249.53726 345.98636
7830.0000 -254.60549 -250.21064 4.39485 1.81735 -250.47013 313.10603
7835.0000 -254.32469 -250.52492 3.79977 1.80808 -250.66720 304.70931
7840.0000 -254.20429 -249.82758 4.37671 1.82513 -250.30478 318.86390
7845.0000 -254.19404 -249.86253 4.33151 1.85477 -249.67483 339.39183
7850.0000 -254.42057 -249.71705 4.70352 1.84770 -249.82517 336.74646
7855.0000 -254.46986 -250.50824 3.96162 1.82829 -250.23756 319.93259
7860.0000 -254.02671 -249.74272 4.28399 1.82869 -250.22921 321.11398
7865.0000 -253.97108 -250.15031 3.82076 1.84967 -249.78313 336.35195
7870.0000 -254.55667 -249.90098 4.65569 1.84567 -249.86814 335.81342
7875.0000 -254.63405 -250.49881 4.13524 1.83512 -250.09242 323.66135
7880.0000 -254.47731 -250.62485 3.85246 1.81976 -250.41897 312.07269
7885.0000 -254.54154 -250.23784 4.30370 1.82931 -250.21593 318.84142
7890.0000 -254.02694 -249.62702 4.39992 1.84442 -249.89476 331.29212
7895.0000 -253.90987 -249.97732 3.93254 1.84755 -249.82817 335.19815
7900.0000 -253.69328 -249.82436 3.86892 1.85376 -249.69626 339.26491
7905.0000 -254.45913 -250.76917 3.68996 1.84086 -249.97037 325.55680
7910.0000 -254.67273 -250.50420 4.16853 1.81669 -250.48426 311.73682
7915.0000 -254.64697 -251.28474 3.36223 1.80447 -250.74394 302.33717
7920.0000 -254.68459 -250.74568 3.93891 1.79752 -250.89168 293.59608
7925.0000 -254.34609 -249.89595 4.45014 1.83652 -250.06265 328.16052
7930.0000 -254.18789 -250.79317 3.39471 1.83097 -250.18068 317.45643
7935.0000 -254.31778 -250.38598 3.93180 1.80725 -250.68496 303.22595
7940.0000 -254.63132 -250.01947 4.61186 1.83077 -250.18485 322.54102
7945.0000 -254.13718 -249.95696 4.18022 1.83946 -250.00026 327.50814
7950.0000 -253.71626 -249.65023 4.06603 1.86478 -249.46196 343.20849
7955.0000 -254.24476 -249.71573 4.52903 1.85394 -249.69236 339.44333
7960.0000 -253.46468 -249.53047 3.93421 1.84405 -249.90270 335.83182
7965.0000 -254.28465 -249.99821 4.28644 1.84118 -249.96373 329.98037
7970.0000 -254.45322 -249.77927 4.67394 1.86093 -249.54381 340.59982
7975.0000 -253.81977 -249.68462 4.13515 1.84136 -249.95977 322.58852
7980.0000 -253.89323 -249.11569 4.77754 1.86540 -249.44884 334.20090
7985.0000 -253.65966 -248.55851 5.10115 1.87493 -249.24617 352.70703
7990.0000 -253.24297 -248.89360 4.34937 1.90176 -248.67590 375.74344
7995.0000 -253.48755 -249.03389 4.45366 1.87818 -249.17715 358.48141
8000.0000 -254.28962 -250.39787 3.89175 1.85868 -249.59161 342.16407
FREEZING PROCESS: loop number 33 T-loop= 304.00000000000000
main_MD> interactions number 33 at Temperature= 304.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48645 -1.26527 -1.47704
force_rgl> df(natom) 3.45872 0.80935 -2.49075
8005.0000 -254.25614 -250.76466 3.49148 1.81689 -250.48004 310.35531
8010.0000 -254.27073 -250.80925 3.46148 1.80643 -250.70227 303.26146
8015.0000 -254.78244 -251.11763 3.66480 1.79759 -250.89025 294.27058
8020.0000 -254.76878 -250.52463 4.24415 1.79864 -250.86782 296.40359
8025.0000 -254.33233 -250.11655 4.21578 1.82513 -250.30479 317.76102
8030.0000 -254.77259 -250.67445 4.09814 1.81901 -250.43484 313.65085
8035.0000 -254.21217 -250.53641 3.67576 1.81327 -250.55684 308.49871
8040.0000 -254.03226 -250.07978 3.95248 1.84159 -249.95485 331.67329
8045.0000 -254.76350 -251.01135 3.75215 1.82031 -250.40722 308.20113
8050.0000 -254.38458 -251.00688 3.37770 1.78405 -251.17792 285.01357
8055.0000 -254.75942 -251.25323 3.50619 1.78485 -251.16104 283.63708
8060.0000 -254.90822 -251.53236 3.37586 1.76980 -251.48087 270.54187
8065.0000 -254.15466 -250.37139 3.78326 1.78944 -251.06346 285.48720
8070.0000 -254.51048 -250.81486 3.69563 1.82189 -250.37362 312.33887
8075.0000 -254.94100 -251.02972 3.91128 1.80928 -250.64174 303.89882
8080.0000 -254.71939 -250.77388 3.94551 1.78978 -251.05629 291.08038
8085.0000 -255.29854 -251.74733 3.55121 1.77661 -251.33611 280.66009
8090.0000 -254.60517 -251.49270 3.11247 1.77359 -251.40030 274.41229
8095.0000 -254.28082 -250.64298 3.63784 1.78806 -251.09286 287.35576
8100.0000 -253.88729 -250.05424 3.83305 1.82936 -250.21484 321.20397
8105.0000 -254.91417 -250.25989 4.65428 1.84326 -249.91953 331.21558
8110.0000 -254.22625 -250.03421 4.19204 1.84759 -249.82733 334.37981
8115.0000 -254.24795 -250.27022 3.97773 1.84640 -249.85275 334.15018
8120.0000 -254.57572 -251.01217 3.56356 1.81060 -250.61369 307.21241
8125.0000 -254.12366 -250.55694 3.56673 1.81257 -250.57170 307.47476
8130.0000 -254.09821 -250.12924 3.96897 1.81732 -250.47077 311.19163
8135.0000 -254.49427 -250.11067 4.38360 1.85181 -249.73760 337.33642
8140.0000 -253.62204 -249.53347 4.08857 1.83053 -250.19001 320.76971
8145.0000 -254.23414 -250.48403 3.75010 1.83641 -250.06498 327.94798
8150.0000 -254.61121 -250.66235 3.94886 1.82353 -250.33878 316.01805
8155.0000 -254.73617 -251.57035 3.16582 1.78069 -251.24933 283.86919
8160.0000 -254.95505 -250.86077 4.09428 1.78327 -251.19468 283.96972
8165.0000 -254.93304 -250.63617 4.29686 1.80190 -250.79864 300.89140
8170.0000 -254.27705 -250.79506 3.48199 1.81785 -250.45960 311.87897
8175.0000 -254.25722 -250.43071 3.82651 1.78512 -251.15521 280.71632
8180.0000 -254.80371 -250.77444 4.02927 1.80983 -250.62995 300.24341
8185.0000 -254.36884 -250.53092 3.83791 1.81615 -250.49568 305.20812
8190.0000 -253.95386 -249.35530 4.59856 1.83340 -250.12905 324.72947
8195.0000 -254.39446 -250.05026 4.34420 1.84648 -249.85098 333.96637
8200.0000 -254.58347 -250.82881 3.75466 1.80899 -250.64790 304.69809
8205.0000 -254.59674 -250.97820 3.61853 1.79300 -250.98783 291.51779
8210.0000 -254.71230 -251.11711 3.59519 1.79062 -251.03834 290.17605
8215.0000 -254.86232 -251.33953 3.52279 1.78829 -251.08796 289.65180
8220.0000 -254.62052 -250.75657 3.86395 1.78562 -251.14463 288.74452
8225.0000 -254.22988 -250.69763 3.53224 1.79495 -250.94632 292.60972
8230.0000 -254.65662 -251.03494 3.62168 1.81244 -250.57448 307.32858
8235.0000 -254.52005 -250.31299 4.20706 1.81644 -250.48962 311.02999
8240.0000 -254.92634 -250.85585 4.07049 1.81277 -250.56744 308.86155
8245.0000 -254.71246 -250.75418 3.95828 1.81202 -250.58343 309.47425
8250.0000 -254.55853 -251.29654 3.26198 1.79988 -250.84163 297.02497
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 54.1089128 [s].
main_MD> Deallocating global variables
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