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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_77/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_77.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 = 77 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 77 7700
main_MD> Size of nv and nvoiz: 77 7700
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 = 77
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> 1.7656185356046940E-002 2.6661881588584502E-003 7.9289984272141734E-002 initial drift of cluster / NP1 for coalescence
init> 0.27201024086830300 0.31985011111999068 0.30806572464588206 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5705915821904349E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20247 0.36516 0.08812
force_rgl> df(natom) 0.12943 0.26343 1.64923
preparo> THERMALIZATION PROCESS AT 1106.5244165025574
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -170.60082281581725 11.824874646455875 -182.42569746227312 6.6000866787742775E-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 32
FREEZING PROCESS: loop number 1 T-loop= 1081.0000000000000
main_MD> interactions number 1 at Temperature= 1081.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.64728 -1.52745 -2.14884
force_rgl> df(natom) -2.51800 1.67465 -2.93427
5.0000 -185.15700 -174.79513 10.36187 3.00475 -172.76621 1091.29689
10.0000 -182.31505 -171.76968 10.54537 3.00325 -172.79335 1088.70306
15.0000 -181.53711 -170.67404 10.86306 3.10916 -170.87651 1172.18479
20.0000 -184.07237 -173.17538 10.89698 3.06961 -171.59237 1136.36027
25.0000 -184.78431 -174.08302 10.70129 2.95297 -173.70352 1076.58510
30.0000 -184.00779 -173.72757 10.28022 2.96211 -173.53808 1064.53998
35.0000 -182.93119 -172.90545 10.02575 2.97266 -173.34702 1049.75586
40.0000 -184.12610 -173.25381 10.87230 2.98835 -173.06314 1081.54148
45.0000 -185.60443 -175.56018 10.04425 2.89543 -174.74484 995.93316
50.0000 -183.30914 -174.12151 9.18763 2.84161 -175.71900 961.45810
55.0000 -182.98201 -171.88883 11.09317 2.98400 -173.14193 1064.25967
60.0000 -183.70353 -173.03347 10.67006 3.01503 -172.58029 1088.65600
65.0000 -182.21749 -171.00426 11.21323 2.96964 -173.40170 1055.60096
70.0000 -184.73431 -172.98387 11.75045 3.07926 -171.41766 1124.04169
75.0000 -182.94070 -173.62530 9.31540 2.95294 -173.70410 1025.57020
80.0000 -184.21467 -174.57549 9.63918 2.96529 -173.48044 1069.25525
85.0000 -182.22838 -170.11015 12.11823 3.00330 -172.79257 1100.14472
90.0000 -184.61529 -171.87836 12.73693 3.18766 -169.45577 1205.73314
95.0000 -184.39718 -172.38256 12.01462 3.00482 -172.76507 1082.37393
100.0000 -182.37594 -172.52951 9.84643 3.01290 -172.61884 1097.53055
105.0000 -183.51248 -173.80419 9.70830 3.00932 -172.68363 1086.50047
110.0000 -185.04194 -174.09373 10.94820 2.96393 -173.50506 1060.35671
115.0000 -182.60765 -172.25339 10.35426 2.96248 -173.53126 1064.09780
120.0000 -182.94552 -173.26172 9.68380 2.98124 -173.19177 1081.58491
125.0000 -183.17785 -173.25502 9.92283 3.00372 -172.78497 1057.35590
130.0000 -181.75834 -172.61573 9.14261 2.97620 -173.28305 1061.82754
135.0000 -183.09160 -173.35777 9.73384 2.99740 -172.89939 1065.69177
140.0000 -184.39473 -172.86271 11.53203 3.00209 -172.81438 1117.93124
145.0000 -183.41774 -173.08806 10.32968 2.98670 -173.09294 1066.88707
150.0000 -180.89568 -170.09382 10.80187 3.10974 -170.86609 1113.26046
155.0000 -181.22413 -168.68653 12.53760 3.20556 -169.13187 1231.68840
160.0000 -183.09240 -171.61889 11.47351 3.17830 -169.62518 1194.65169
165.0000 -183.25099 -172.35103 10.89996 3.00812 -172.70530 1063.44211
170.0000 -183.90098 -172.66291 11.23807 2.96432 -173.49802 1057.30501
175.0000 -181.74955 -171.51656 10.23299 3.01543 -172.57293 1085.83361
180.0000 -183.14805 -172.12399 11.02406 3.07761 -171.44763 1131.06880
185.0000 -182.92776 -171.86286 11.06490 2.98716 -173.08467 1066.58666
190.0000 -182.04485 -169.33424 12.71061 3.13501 -170.40861 1144.19186
195.0000 -183.85317 -171.77652 12.07666 3.14930 -170.15008 1193.97981
200.0000 -180.83852 -169.88121 10.95731 3.09179 -171.19098 1146.25146
205.0000 -182.98305 -171.46139 11.52166 3.11586 -170.75531 1133.83086
210.0000 -183.31549 -174.48111 8.83438 2.93423 -174.04263 1028.05874
215.0000 -184.53354 -172.50700 12.02654 2.96056 -173.56601 1028.31851
220.0000 -183.68373 -172.26299 11.42074 3.01324 -172.61262 1105.11755
225.0000 -185.00799 -173.72525 11.28274 2.98893 -173.05256 1108.07412
230.0000 -183.82024 -173.83209 9.98815 2.91779 -174.34014 1026.25666
235.0000 -184.94033 -174.90839 10.03194 2.89212 -174.80484 1017.83613
240.0000 -184.61060 -174.12670 10.48390 2.91703 -174.35400 1020.64294
245.0000 -183.96019 -172.40458 11.55561 2.97664 -173.27499 1068.71604
250.0000 -182.21676 -169.89429 12.32247 3.10785 -170.90021 1155.71174
FREEZING PROCESS: loop number 2 T-loop= 1056.0000000000000
main_MD> interactions number 2 at Temperature= 1056.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.32641 2.52238 5.71649
force_rgl> df(natom) -0.41802 2.51998 -0.08684
255.0000 -183.62651 -173.38919 10.23731 3.04136 -172.10363 1121.03855
260.0000 -185.14792 -175.64572 9.50220 2.90494 -174.57271 1015.70217
265.0000 -184.21381 -174.83073 9.38307 2.90229 -174.62072 1005.36348
270.0000 -185.68376 -175.73332 9.95044 2.85989 -175.38819 1016.61134
275.0000 -186.35199 -176.07429 10.27770 2.87043 -175.19732 987.24589
280.0000 -184.15345 -174.60736 9.54609 2.90740 -174.52828 1013.95201
285.0000 -184.25024 -175.36260 8.88764 2.87075 -175.19164 1013.04347
290.0000 -185.79086 -175.21252 10.57833 2.87480 -175.11829 987.60237
295.0000 -182.76390 -173.10943 9.65448 2.90227 -174.62104 1017.34550
300.0000 -185.52767 -176.82689 8.70077 2.90582 -174.55684 1006.78865
305.0000 -184.63925 -173.92440 10.71485 2.82579 -176.00531 950.66643
310.0000 -183.65787 -173.48672 10.17115 2.89005 -174.84225 1036.34479
315.0000 -184.71488 -175.08538 9.62950 2.93157 -174.09083 1041.55544
320.0000 -185.22911 -173.94209 11.28703 2.85543 -175.46882 1001.79298
325.0000 -183.46489 -173.28933 10.17556 2.93065 -174.10740 1029.63844
330.0000 -183.19343 -171.24655 11.94688 3.00747 -172.71703 1046.04745
335.0000 -183.09666 -172.96558 10.13109 3.03356 -172.24485 1108.44890
340.0000 -184.30632 -175.08327 9.22305 2.97623 -173.28255 1067.06585
345.0000 -182.64137 -171.56879 11.07258 2.95631 -173.64295 1041.29553
350.0000 -181.93348 -171.84509 10.08839 3.03488 -172.22105 1082.68240
355.0000 -183.46250 -172.30679 11.15571 2.97148 -173.36846 1038.35926
360.0000 -181.91974 -171.00509 10.91465 3.06305 -171.71107 1129.59633
365.0000 -184.17028 -172.12942 12.04086 3.08565 -171.30215 1112.88371
370.0000 -183.15486 -173.35227 9.80259 2.97967 -173.22018 1071.78623
375.0000 -183.74773 -173.79784 9.94989 2.97427 -173.31796 1056.06049
380.0000 -181.54238 -171.57065 9.97172 3.05252 -171.90175 1073.17054
385.0000 -184.79388 -173.72168 11.07220 3.01672 -172.54968 1101.35043
390.0000 -185.40298 -174.58365 10.81932 2.95144 -173.73116 1055.83303
395.0000 -185.21686 -175.21763 9.99923 2.88867 -174.86721 1028.78294
400.0000 -185.06596 -174.53448 10.53148 2.92315 -174.24325 1044.10061
405.0000 -185.09365 -175.46013 9.63352 2.97027 -173.39034 1051.66176
410.0000 -185.20043 -175.27001 9.93042 2.86485 -175.29837 977.33835
415.0000 -185.56924 -173.79760 11.77164 2.94802 -173.79306 1048.12334
420.0000 -182.79364 -172.83655 9.95710 3.00719 -172.72210 1075.57060
425.0000 -182.65865 -172.05594 10.60271 3.03125 -172.28671 1078.58491
430.0000 -185.77836 -176.23099 9.54737 2.92144 -174.27408 997.65665
435.0000 -182.52538 -172.06286 10.46252 2.92763 -174.16218 1045.10367
440.0000 -182.03596 -171.32125 10.71471 3.01433 -172.59286 1052.11536
445.0000 -183.28470 -173.15083 10.13387 3.01895 -172.50935 1069.20398
450.0000 -183.47101 -172.94153 10.52949 2.96628 -173.46263 1054.93398
455.0000 -182.86774 -171.62894 11.23880 3.04713 -171.99922 1126.68969
460.0000 -185.28286 -174.40584 10.87702 3.00915 -172.68667 1112.12830
465.0000 -184.40030 -175.06886 9.33144 2.88468 -174.93938 996.87928
470.0000 -184.96266 -175.05355 9.90911 2.85395 -175.49568 987.46503
475.0000 -183.77130 -173.40734 10.36396 2.95392 -173.68632 1049.56711
480.0000 -183.48768 -175.20379 8.28390 2.94633 -173.82364 1015.13202
485.0000 -184.18952 -174.53071 9.65881 2.91048 -174.47245 1000.32541
490.0000 -183.11984 -173.25268 9.86715 2.93202 -174.08259 1031.08500
495.0000 -182.68533 -172.44796 10.23737 3.01189 -172.63700 1086.53311
500.0000 -184.20416 -172.52620 11.67796 3.06581 -171.66115 1146.96046
FREEZING PROCESS: loop number 3 T-loop= 1031.0000000000000
main_MD> interactions number 3 at Temperature= 1031.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70791 -1.06240 -2.02081
force_rgl> df(natom) 3.70501 2.42505 -0.38184
505.0000 -183.36231 -173.25627 10.10604 2.96329 -173.51665 1062.87328
510.0000 -183.31507 -172.28590 11.02917 3.00657 -172.73336 1078.13882
515.0000 -180.67957 -171.25370 9.42587 3.05684 -171.82358 1127.06175
520.0000 -183.24704 -173.10507 10.14198 3.06379 -171.69774 1128.54706
525.0000 -184.83721 -174.08453 10.75268 2.94199 -173.90219 1018.03351
530.0000 -184.45420 -174.26136 10.19283 2.92609 -174.18994 1025.48068
535.0000 -186.02559 -175.84297 10.18262 2.85165 -175.53726 954.91741
540.0000 -184.35302 -174.69870 9.65432 2.91177 -174.44911 999.29479
545.0000 -183.46149 -172.14298 11.31851 2.95944 -173.58636 1040.98396
550.0000 -182.83609 -173.14276 9.69333 2.97184 -173.36195 1060.55520
555.0000 -185.56699 -173.93816 11.62882 2.94341 -173.87645 1073.23415
560.0000 -184.59158 -173.41030 11.18129 2.93144 -174.09321 1045.02210
565.0000 -184.58495 -173.10016 11.48479 2.99531 -172.93708 1071.49114
570.0000 -182.69126 -171.56828 11.12298 2.97724 -173.26418 1068.41490
575.0000 -184.94646 -174.75431 10.19215 2.97812 -173.24819 1079.45288
580.0000 -184.75433 -174.42329 10.33104 2.89649 -174.72570 993.96797
585.0000 -184.66369 -174.23333 10.43036 2.92667 -174.17952 1003.28007
590.0000 -184.53991 -174.65045 9.88946 2.88862 -174.86818 1019.85502
595.0000 -185.24873 -174.35246 10.89628 2.91858 -174.32594 1014.87817
600.0000 -185.52775 -174.95313 10.57462 2.92570 -174.19705 1024.16478
605.0000 -186.58048 -177.70595 8.87453 2.87595 -175.09739 1004.10241
610.0000 -185.20721 -175.07006 10.13715 2.82883 -175.95022 973.73332
615.0000 -184.08983 -173.75466 10.33517 2.93191 -174.08466 1048.66608
620.0000 -183.25219 -173.91994 9.33225 2.96197 -173.54062 1044.64046
625.0000 -183.83937 -175.85978 7.97959 2.88726 -174.89274 982.05017
630.0000 -181.06924 -170.38525 10.68400 2.96084 -173.56097 1058.41968
635.0000 -183.99313 -172.05948 11.93365 3.08551 -171.30459 1109.69542
640.0000 -181.69335 -171.20611 10.48724 3.07156 -171.55712 1113.40527
645.0000 -186.13783 -175.84299 10.29484 2.93015 -174.11641 1016.12647
650.0000 -183.15427 -172.32355 10.83071 2.94480 -173.85134 1033.60810
655.0000 -185.77083 -173.83668 11.93415 3.02146 -172.46382 1082.48990
660.0000 -183.47129 -174.28435 9.18694 2.98411 -173.13995 1074.04413
665.0000 -184.81462 -176.12993 8.68469 2.92059 -174.28947 1024.34442
670.0000 -184.11299 -173.38338 10.72961 2.88478 -174.93758 1007.56491
675.0000 -183.96171 -174.11783 9.84388 2.95056 -173.74718 1041.05043
680.0000 -181.87866 -172.31891 9.55975 2.92946 -174.12893 1051.19455
685.0000 -183.13840 -172.02405 11.11435 3.07532 -171.48906 1133.04341
690.0000 -182.96552 -173.13933 9.82619 3.00717 -172.72247 1087.58715
695.0000 -185.05745 -174.49689 10.56056 2.94644 -173.82160 1074.45509
700.0000 -186.23834 -173.36089 12.87745 2.93998 -173.93860 1064.80131
705.0000 -185.07512 -176.16893 8.90620 2.94380 -173.86938 1013.30705
710.0000 -183.45394 -173.43129 10.02265 2.93034 -174.11298 1029.31360
715.0000 -184.73609 -175.65334 9.08275 2.95983 -173.57938 1084.84748
720.0000 -183.71673 -175.18538 8.53135 2.85906 -175.40321 995.23697
725.0000 -184.95663 -174.45999 10.49665 2.92138 -174.27516 1026.77495
730.0000 -186.04520 -176.04197 10.00323 2.82628 -175.99640 983.17588
735.0000 -186.48840 -175.28446 11.20394 2.79542 -176.55493 961.86174
740.0000 -186.93453 -176.71889 10.21564 2.80432 -176.39384 957.24085
745.0000 -184.76007 -174.11088 10.64919 2.86561 -175.28454 1009.48393
750.0000 -185.85067 -176.33810 9.51257 2.89166 -174.81320 1012.71864
FREEZING PROCESS: loop number 4 T-loop= 1006.0000000000000
main_MD> interactions number 4 at Temperature= 1006.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36986 -0.53175 -2.56192
force_rgl> df(natom) -2.09595 -0.15356 -1.74946
755.0000 -185.23978 -175.10620 10.13358 2.84023 -175.74398 968.92276
760.0000 -184.89935 -175.10909 9.79026 2.83226 -175.88830 966.02767
765.0000 -186.27170 -177.50483 8.76686 2.80391 -176.40126 968.34598
770.0000 -185.06206 -174.75665 10.30542 2.85113 -175.54661 966.73855
775.0000 -185.02958 -174.57731 10.45227 2.89198 -174.80741 1003.35809
780.0000 -185.35083 -175.95649 9.39434 2.85345 -175.50463 1003.05805
785.0000 -184.44849 -175.04035 9.40814 2.85771 -175.42766 1007.90922
790.0000 -184.68159 -172.80081 11.88078 2.92073 -174.28690 1022.40436
795.0000 -182.68900 -171.83362 10.85538 3.00016 -172.84935 1072.14850
800.0000 -182.80774 -172.81989 9.98785 3.04523 -172.03361 1123.11930
805.0000 -183.90472 -174.22948 9.67524 3.01589 -172.56461 1052.78812
810.0000 -183.69649 -173.42278 10.27371 2.95079 -173.74297 1043.16223
815.0000 -184.85021 -175.54089 9.30933 2.96845 -173.42330 1019.11425
820.0000 -186.69995 -177.18432 9.51563 2.78859 -176.67865 936.59815
825.0000 -183.80797 -172.72608 11.08189 2.86606 -175.27639 983.67603
830.0000 -184.27458 -172.93055 11.34403 3.04738 -171.99466 1084.60304
835.0000 -183.67014 -173.03058 10.63956 2.98150 -173.18718 1079.09532
840.0000 -185.52982 -173.02186 12.50796 2.96646 -173.45939 1046.76524
845.0000 -181.72442 -172.12682 9.59759 3.03649 -172.19174 1093.16064
850.0000 -185.93482 -174.98238 10.95244 3.00127 -172.82929 1088.31925
855.0000 -184.61238 -176.25746 8.35492 2.82826 -175.96054 955.53564
860.0000 -185.58029 -175.63918 9.94111 2.83070 -175.91649 954.11569
865.0000 -184.37927 -173.63445 10.74482 2.90487 -174.57409 997.30313
870.0000 -186.49771 -176.88173 9.61598 2.85288 -175.51499 978.04747
875.0000 -185.86956 -175.27465 10.59491 2.86072 -175.37318 1010.42118
880.0000 -183.32852 -174.29704 9.03148 2.89452 -174.76132 1012.46320
885.0000 -186.74780 -175.26196 11.48584 2.86942 -175.21563 1013.41612
890.0000 -185.21106 -174.07162 11.13944 2.86053 -175.37652 976.75289
895.0000 -183.41184 -173.02628 10.38555 2.95534 -173.66057 1035.05124
900.0000 -181.91313 -173.27588 8.63724 2.99434 -172.95472 1039.45079
905.0000 -181.28622 -171.44524 9.84098 3.04886 -171.96795 1095.49900
910.0000 -183.60462 -173.88641 9.71821 3.00921 -172.68558 1102.62698
915.0000 -186.01071 -176.70220 9.30851 2.84398 -175.67620 1006.62286
920.0000 -185.12654 -175.04445 10.08209 2.80781 -176.33081 965.78765
925.0000 -185.46981 -174.72303 10.74679 2.86183 -175.35297 1008.86880
930.0000 -184.77046 -174.25528 10.51518 2.85034 -175.56103 994.27761
935.0000 -185.21300 -175.46101 9.75199 2.89129 -174.81984 1029.77269
940.0000 -185.27073 -174.74889 10.52184 2.84205 -175.71102 967.80878
945.0000 -183.21184 -173.18019 10.03165 2.92463 -174.21632 1025.18247
950.0000 -183.10921 -174.05097 9.05823 2.90417 -174.58678 1005.65858
955.0000 -183.76999 -174.16802 9.60197 2.97209 -173.35733 1059.08996
960.0000 -183.68728 -175.52139 8.16590 2.93382 -174.05002 1055.66876
965.0000 -185.29539 -175.07267 10.22273 2.82644 -175.99349 942.42983
970.0000 -185.75073 -175.67796 10.07277 2.87285 -175.15355 1000.67413
975.0000 -186.98841 -176.96154 10.02687 2.84432 -175.66999 966.63600
980.0000 -187.22091 -178.53111 8.68980 2.76108 -177.17651 908.98068
985.0000 -187.18853 -178.46730 8.72123 2.66214 -178.96732 851.70037
990.0000 -186.04404 -177.63488 8.40916 2.71651 -177.98324 894.95153
995.0000 -185.45322 -175.92497 9.52825 2.83962 -175.75494 980.83986
1000.0000 -183.16906 -174.97589 8.19317 2.92919 -174.13388 1041.55593
FREEZING PROCESS: loop number 5 T-loop= 981.00000000000000
main_MD> interactions number 5 at Temperature= 981.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30372 -2.63563 -2.34179
force_rgl> df(natom) -3.94202 -2.83406 3.29227
1005.0000 -184.03884 -173.30363 10.73521 2.90952 -174.48993 1043.03246
1010.0000 -185.70081 -174.88768 10.81313 2.97289 -173.34302 1046.81604
1015.0000 -183.08102 -174.53121 8.54981 2.88728 -174.89246 1036.44652
1020.0000 -186.45419 -176.99498 9.45921 2.80535 -176.37533 937.08624
1025.0000 -186.41313 -177.94955 8.46358 2.77472 -176.92969 950.76049
1030.0000 -188.02053 -178.85136 9.16917 2.72261 -177.87286 921.29284
1035.0000 -187.34465 -178.83413 8.51052 2.69467 -178.37859 876.45960
1040.0000 -187.26511 -178.60405 8.66106 2.67241 -178.78145 875.98664
1045.0000 -188.22857 -178.78470 9.44387 2.68182 -178.61109 884.52220
1050.0000 -184.48460 -174.00125 10.48335 2.78528 -176.73845 929.80138
1055.0000 -184.00213 -173.23496 10.76717 2.99265 -172.98533 1092.87269
1060.0000 -185.86689 -175.96615 9.90073 2.89163 -174.81371 1001.01521
1065.0000 -186.51337 -177.20297 9.31040 2.74907 -177.39384 914.85398
1070.0000 -184.95003 -175.09323 9.85680 2.86339 -175.32487 997.38847
1075.0000 -184.46903 -175.20434 9.26469 2.84424 -175.67148 1015.79048
1080.0000 -185.21254 -175.75206 9.46049 2.85985 -175.38882 969.64544
1085.0000 -184.74345 -175.70793 9.03552 2.83596 -175.82130 969.09848
1090.0000 -183.63885 -173.34870 10.29014 2.91369 -174.41437 1021.82555
1095.0000 -185.87994 -177.00776 8.87219 2.88745 -174.88940 1025.64974
1100.0000 -185.12798 -175.48416 9.64383 2.80823 -176.32311 951.51466
1105.0000 -185.00795 -174.28042 10.72753 2.79884 -176.49319 963.34833
1110.0000 -185.54686 -176.07986 9.46700 2.85464 -175.48321 989.38948
1115.0000 -185.59414 -176.86550 8.72865 2.84427 -175.67095 991.87455
1120.0000 -184.41185 -174.73050 9.68135 2.82328 -176.05074 979.27066
1125.0000 -185.35029 -175.66162 9.68867 2.85105 -175.54820 987.62832
1130.0000 -184.39069 -174.73310 9.65758 2.86202 -175.34959 983.35307
1135.0000 -185.30461 -175.27525 10.02936 2.90812 -174.51519 988.50534
1140.0000 -186.02353 -175.92613 10.09740 2.85405 -175.49384 964.16340
1145.0000 -183.66913 -174.70049 8.96865 2.89186 -174.80949 983.84641
1150.0000 -182.59719 -172.90830 9.68889 2.94812 -173.79129 1066.60555
1155.0000 -186.43343 -177.15109 9.28234 2.84942 -175.57773 961.58554
1160.0000 -186.04050 -176.93560 9.10491 2.73330 -177.67942 919.47705
1165.0000 -186.20914 -177.80363 8.40552 2.79124 -176.63068 938.57162
1170.0000 -186.58579 -177.20623 9.37956 2.76758 -177.05887 932.09920
1175.0000 -185.70797 -176.46146 9.24651 2.75273 -177.32762 903.49673
1180.0000 -183.93721 -174.67917 9.25804 2.84931 -175.57963 965.48795
1185.0000 -186.09254 -174.71832 11.37423 2.92354 -174.23617 1044.98004
1190.0000 -183.24340 -175.28483 7.95858 2.85635 -175.45224 977.26511
1195.0000 -183.45592 -174.05564 9.40028 2.92358 -174.23542 1012.81707
1200.0000 -186.09170 -177.13397 8.95773 2.83843 -175.77648 986.42168
1205.0000 -188.57503 -179.58543 8.98960 2.74545 -177.45945 932.82555
1210.0000 -188.74250 -180.16510 8.57741 2.62692 -179.60464 851.74630
1215.0000 -186.44271 -177.76689 8.67582 2.66149 -178.97900 846.33739
1220.0000 -185.40523 -176.38455 9.02068 2.83280 -175.87841 970.37283
1225.0000 -186.14285 -176.72638 9.41646 2.80809 -176.32574 937.41018
1230.0000 -186.74568 -177.10281 9.64288 2.74094 -177.54110 923.56945
1235.0000 -185.00464 -175.52674 9.47790 2.82664 -175.98992 948.67301
1240.0000 -186.23906 -178.04951 8.18955 2.79700 -176.52642 948.38770
1245.0000 -184.57746 -173.44642 11.13104 2.82172 -176.07892 966.38033
1250.0000 -184.94683 -175.79514 9.15169 2.85870 -175.40964 1002.61718
FREEZING PROCESS: loop number 6 T-loop= 956.00000000000000
main_MD> interactions number 6 at Temperature= 956.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.93867 -2.50579 1.04954
force_rgl> df(natom) -0.23052 -1.56178 -0.35405
1255.0000 -185.06993 -176.14744 8.92249 2.80103 -176.45353 949.06515
1260.0000 -186.57657 -174.72759 11.84898 2.88794 -174.88043 1022.83909
1265.0000 -185.63254 -176.20380 9.42874 2.86651 -175.26842 1008.68416
1270.0000 -188.35573 -178.98939 9.36634 2.81422 -176.21483 969.71337
1275.0000 -185.46765 -176.82388 8.64377 2.73250 -177.69377 891.19031
1280.0000 -185.70589 -176.61054 9.09535 2.82344 -176.04789 939.10163
1285.0000 -186.00309 -177.02592 8.97717 2.77461 -176.93162 914.67342
1290.0000 -184.82388 -175.24423 9.57964 2.78813 -176.68703 957.76208
1295.0000 -184.03312 -174.94181 9.09131 2.85161 -175.53803 989.96340
1300.0000 -184.73076 -174.16107 10.56969 2.87543 -175.10697 989.92223
1305.0000 -186.19031 -177.05750 9.13281 2.84675 -175.62598 966.91316
1310.0000 -187.33667 -179.12361 8.21306 2.69624 -178.35005 860.74993
1315.0000 -188.25977 -179.93890 8.32087 2.68632 -178.52967 880.37882
1320.0000 -187.01859 -178.01596 9.00263 2.66749 -178.87037 855.17422
1325.0000 -187.16258 -178.08309 9.07950 2.69459 -178.37988 885.52490
1330.0000 -184.22068 -176.82683 7.39385 2.74293 -177.50510 913.42172
1335.0000 -186.37028 -177.30891 9.06137 2.77272 -176.96578 920.18188
1340.0000 -185.77966 -175.33976 10.43991 2.80761 -176.33442 958.26793
1345.0000 -185.47562 -177.04058 8.43504 2.84849 -175.59442 990.42437
1350.0000 -186.33361 -178.86882 7.46479 2.72403 -177.84717 916.29666
1355.0000 -186.10685 -177.32715 8.77970 2.77162 -176.98573 937.79159
1360.0000 -185.25926 -177.05239 8.20688 2.77977 -176.83828 944.23708
1365.0000 -187.10225 -177.96484 9.13742 2.70863 -178.12580 889.53275
1370.0000 -188.23451 -180.68376 7.55076 2.61702 -179.78393 817.61227
1375.0000 -186.59674 -177.58441 9.01232 2.63812 -179.40210 862.35344
1380.0000 -187.54410 -179.19700 8.34710 2.68221 -178.60404 874.88693
1385.0000 -185.24891 -175.75887 9.49004 2.75595 -177.26936 933.88769
1390.0000 -184.29254 -175.48520 8.80734 2.85379 -175.49856 984.55767
1395.0000 -185.77505 -175.95900 9.81605 2.76982 -177.01826 909.91702
1400.0000 -185.03469 -176.11459 8.92010 2.85706 -175.43941 1002.60885
1405.0000 -186.39498 -176.47608 9.91890 2.79816 -176.50537 945.28025
1410.0000 -185.15996 -175.37733 9.78263 2.82233 -176.06797 953.33777
1415.0000 -183.44654 -174.63873 8.80781 2.88322 -174.96596 961.44992
1420.0000 -184.53779 -175.08732 9.45046 2.94555 -173.83784 1048.57149
1425.0000 -186.30383 -177.79974 8.50408 2.74717 -177.42821 903.99100
1430.0000 -187.07422 -176.28895 10.78527 2.78922 -176.66718 946.58164
1435.0000 -185.86616 -177.10075 8.76541 2.82063 -176.09877 934.56285
1440.0000 -187.37745 -176.37837 10.99908 2.80308 -176.41639 936.43631
1445.0000 -185.56768 -176.17591 9.39178 2.84945 -175.57702 973.46670
1450.0000 -186.57993 -175.29408 11.28584 2.82080 -176.09573 955.50676
1455.0000 -185.41372 -175.47726 9.93646 2.86792 -175.24278 975.78478
1460.0000 -184.67411 -175.71272 8.96139 2.86383 -175.31682 965.04778
1465.0000 -184.73175 -173.09481 11.63694 2.96286 -173.52443 1073.03113
1470.0000 -185.13672 -174.93139 10.20533 2.91334 -174.42068 1011.16592
1475.0000 -184.43446 -174.93854 9.49592 2.88356 -174.95967 986.66846
1480.0000 -185.28659 -176.89415 8.39244 2.82835 -175.95894 974.44943
1485.0000 -184.22231 -173.89665 10.32565 2.85469 -175.48221 982.11544
1490.0000 -185.44836 -175.93227 9.51608 2.91107 -174.46183 1025.02865
1495.0000 -182.75483 -174.51767 8.23717 2.82263 -176.06250 975.27142
1500.0000 -186.60713 -175.99635 10.61078 2.85046 -175.55883 984.54682
FREEZING PROCESS: loop number 7 T-loop= 931.00000000000000
main_MD> interactions number 7 at Temperature= 931.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04720 -0.20007 1.75502
force_rgl> df(natom) 6.98859 0.79745 -1.05554
1505.0000 -185.31046 -176.48424 8.82622 2.80663 -176.35217 954.76181
1510.0000 -187.61336 -177.35106 10.26230 2.77361 -176.94980 922.58996
1515.0000 -187.17422 -177.33961 9.83461 2.75671 -177.25571 925.95298
1520.0000 -187.17152 -178.86961 8.30192 2.74792 -177.41464 920.33552
1525.0000 -187.71940 -179.59200 8.12740 2.59464 -180.18894 829.40059
1530.0000 -185.56653 -176.25242 9.31411 2.73234 -177.69663 932.71007
1535.0000 -185.09693 -176.28678 8.81016 2.81171 -176.26012 964.65280
1540.0000 -183.82897 -174.02734 9.80163 2.86098 -175.36840 976.33266
1545.0000 -186.26270 -176.10547 10.15723 2.85022 -175.56318 975.53762
1550.0000 -187.25097 -177.91689 9.33408 2.73130 -177.71559 883.75243
1555.0000 -184.52414 -175.54187 8.98228 2.77823 -176.86607 898.76355
1560.0000 -186.38437 -178.07537 8.30900 2.77140 -176.98973 903.61286
1565.0000 -187.04381 -179.00771 8.03609 2.69348 -178.39995 876.97278
1570.0000 -186.86394 -176.58444 10.27950 2.71961 -177.92719 896.75887
1575.0000 -185.97756 -175.24888 10.72868 2.79989 -176.47411 938.29958
1580.0000 -184.16458 -175.76577 8.39881 2.89251 -174.79774 994.03684
1585.0000 -187.03356 -178.52378 8.50978 2.77381 -176.94604 926.67426
1590.0000 -187.32768 -177.77583 9.55185 2.70520 -178.18799 899.90590
1595.0000 -184.14763 -175.67198 8.47565 2.75392 -177.30604 929.24180
1600.0000 -183.32935 -174.15913 9.17022 2.85623 -175.45436 988.05387
1605.0000 -184.73095 -174.87785 9.85310 2.89280 -174.79258 1015.19650
1610.0000 -186.27513 -176.18385 10.09128 2.82401 -176.03747 977.72926
1615.0000 -186.87738 -177.85013 9.02725 2.74701 -177.43120 931.69039
1620.0000 -186.43862 -176.39438 10.04424 2.78386 -176.76415 912.72943
1625.0000 -186.07406 -176.89286 9.18121 2.72354 -177.85595 911.20112
1630.0000 -186.70387 -177.89001 8.81386 2.75267 -177.32883 919.07367
1635.0000 -188.42762 -179.20701 9.22061 2.73693 -177.61371 894.23767
1640.0000 -187.14564 -179.41294 7.73270 2.75313 -177.32038 888.44679
1645.0000 -185.92199 -176.58847 9.33352 2.74175 -177.52632 931.34835
1650.0000 -187.05642 -177.22292 9.83350 2.77862 -176.85910 928.78780
1655.0000 -185.47824 -176.16570 9.31254 2.76606 -177.08641 917.16297
1660.0000 -185.01746 -176.04014 8.97732 2.80817 -176.32431 956.75614
1665.0000 -183.65913 -174.16867 9.49046 2.80479 -176.38540 950.66654
1670.0000 -185.22487 -174.91183 10.31305 2.86386 -175.31629 966.77037
1675.0000 -184.93819 -176.24843 8.68975 2.84014 -175.74563 992.87079
1680.0000 -186.15442 -175.83025 10.32417 2.78954 -176.66144 953.68032
1685.0000 -185.91583 -175.90820 10.00763 2.84404 -175.67497 976.54762
1690.0000 -184.68261 -173.94064 10.74197 2.80968 -176.29692 959.04478
1695.0000 -184.47380 -175.69504 8.77876 2.88800 -174.87930 1003.00342
1700.0000 -185.86258 -176.06977 9.79281 2.81937 -176.12154 957.74432
1705.0000 -185.97691 -177.24502 8.73189 2.82359 -176.04513 981.00734
1710.0000 -186.79239 -177.49931 9.29308 2.74909 -177.39354 922.10402
1715.0000 -184.44571 -173.88944 10.55627 2.82483 -176.02270 957.37763
1720.0000 -186.08732 -176.89328 9.19405 2.85160 -175.53817 1009.37053
1725.0000 -186.58469 -176.49514 10.08955 2.82006 -176.10897 965.56570
1730.0000 -185.79532 -176.93777 8.85755 2.77627 -176.90158 949.05842
1735.0000 -186.11666 -174.95589 11.16077 2.80557 -176.37138 939.84700
1740.0000 -184.07695 -174.54746 9.52949 2.86405 -175.31291 985.51423
1745.0000 -187.42250 -178.64842 8.77408 2.83581 -175.82400 967.14625
1750.0000 -186.00266 -177.52433 8.47833 2.72405 -177.84669 901.74855
FREEZING PROCESS: loop number 8 T-loop= 906.00000000000000
main_MD> interactions number 8 at Temperature= 906.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.19903 4.36142 -1.62264
force_rgl> df(natom) -0.82318 -1.69764 1.28120
1755.0000 -186.74930 -177.94704 8.80225 2.72463 -177.83621 901.41538
1760.0000 -187.56267 -178.86214 8.70054 2.71899 -177.93835 886.32481
1765.0000 -185.32595 -177.19665 8.12930 2.70354 -178.21790 879.21544
1770.0000 -188.55515 -178.68757 9.86758 2.69311 -178.40679 867.71280
1775.0000 -188.92672 -179.94806 8.97867 2.65743 -179.05245 856.19928
1780.0000 -187.59384 -179.12683 8.46701 2.61008 -179.90957 810.84980
1785.0000 -187.17060 -178.00907 9.16153 2.64673 -179.24621 838.80388
1790.0000 -186.34577 -177.81554 8.53022 2.70197 -178.24644 872.49046
1795.0000 -186.40706 -176.54403 9.86303 2.73425 -177.66206 905.17628
1800.0000 -187.60361 -178.63155 8.97206 2.67628 -178.71129 869.76099
1805.0000 -188.45230 -180.37768 8.07462 2.66190 -178.97159 870.12041
1810.0000 -187.10823 -178.08069 9.02754 2.66197 -178.97036 885.18288
1815.0000 -186.93818 -177.58773 9.35045 2.77535 -176.91831 967.18255
1820.0000 -186.84355 -177.91809 8.92546 2.73140 -177.71367 936.21742
1825.0000 -187.04108 -178.32761 8.71347 2.69648 -178.34567 877.47900
1830.0000 -185.15455 -176.14630 9.00824 2.78191 -176.79959 930.19127
1835.0000 -186.71251 -177.27112 9.44139 2.74502 -177.46721 915.38760
1840.0000 -186.36669 -177.51169 8.85499 2.73492 -177.65001 907.05286
1845.0000 -186.51321 -178.59307 7.92013 2.74492 -177.46901 921.38430
1850.0000 -186.32851 -176.31265 10.01586 2.71157 -178.07268 894.13913
1855.0000 -187.15057 -179.31155 7.83902 2.71189 -178.06681 900.98561
1860.0000 -187.95172 -178.55980 9.39192 2.69726 -178.33166 896.85332
1865.0000 -186.31087 -176.42820 9.88267 2.70805 -178.13635 903.21581
1870.0000 -186.01622 -176.68105 9.33517 2.81215 -176.25228 951.89076
1875.0000 -185.97253 -176.76616 9.20637 2.79264 -176.60531 960.02178
1880.0000 -185.92463 -176.09147 9.83317 2.83422 -175.85283 944.03131
1885.0000 -185.88729 -175.75930 10.12800 2.81499 -176.20085 948.41075
1890.0000 -186.64532 -176.14813 10.49720 2.81553 -176.19103 949.75611
1895.0000 -187.89208 -178.16237 9.72971 2.76067 -177.18390 923.03903
1900.0000 -186.81809 -177.01516 9.80293 2.73917 -177.57302 921.05400
1905.0000 -186.84948 -176.08779 10.76168 2.80243 -176.42819 973.00014
1910.0000 -185.44679 -176.34497 9.10182 2.86241 -175.34251 1017.49902
1915.0000 -187.34155 -176.40249 10.93906 2.77286 -176.96329 983.60871
1920.0000 -187.48714 -177.55312 9.93402 2.79288 -176.60105 970.17700
1925.0000 -186.11918 -177.71111 8.40807 2.75263 -177.32941 940.98935
1930.0000 -186.29220 -178.46377 7.82843 2.71159 -178.07224 886.46553
1935.0000 -187.02400 -176.70805 10.31595 2.70757 -178.14498 873.62124
1940.0000 -186.66622 -176.62005 10.04617 2.84290 -175.69571 936.43999
1945.0000 -186.45907 -177.87313 8.58595 2.73518 -177.64523 881.05515
1950.0000 -186.17638 -177.23501 8.94137 2.74631 -177.44380 896.74322
1955.0000 -185.27419 -177.50146 7.77273 2.81466 -176.20677 961.08805
1960.0000 -188.27262 -179.69282 8.57980 2.68947 -178.47254 862.14715
1965.0000 -185.53663 -177.16380 8.37283 2.72341 -177.85828 908.78095
1970.0000 -187.02045 -178.84512 8.17532 2.69817 -178.31510 894.56779
1975.0000 -188.71000 -179.32611 9.38390 2.67166 -178.79505 873.88797
1980.0000 -189.57585 -180.13682 9.43904 2.62507 -179.63829 872.04556
1985.0000 -186.78075 -178.05608 8.72467 2.71216 -178.06196 920.25128
1990.0000 -187.90716 -178.99558 8.91159 2.64611 -179.25746 843.98010
1995.0000 -186.56912 -176.92982 9.63930 2.68721 -178.51350 872.28323
2000.0000 -184.15243 -174.99807 9.15436 2.76864 -177.03977 931.04586
FREEZING PROCESS: loop number 9 T-loop= 881.00000000000000
main_MD> interactions number 9 at Temperature= 881.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27455 -0.37100 0.53474
force_rgl> df(natom) 0.37539 1.13939 0.78025
2005.0000 -187.01856 -178.18283 8.83573 2.80765 -176.33363 931.84101
2010.0000 -185.48121 -176.80260 8.67860 2.68509 -178.55181 849.39207
2015.0000 -187.03641 -178.97888 8.05753 2.66679 -178.88306 853.89328
2020.0000 -188.11668 -179.96180 8.15488 2.64672 -179.24630 861.18984
2025.0000 -186.70168 -178.49314 8.20854 2.69432 -178.38492 874.52518
2030.0000 -186.17834 -177.69435 8.48399 2.70451 -178.20039 859.03653
2035.0000 -187.01678 -177.85735 9.15944 2.77747 -176.87990 930.58611
2040.0000 -187.78342 -178.97643 8.80699 2.64875 -179.20967 837.70558
2045.0000 -187.55014 -180.72666 6.82348 2.60571 -179.98866 827.27817
2050.0000 -188.99391 -180.41043 8.58348 2.55997 -180.81656 810.40683
2055.0000 -187.52149 -179.74618 7.77531 2.59657 -180.15411 829.08903
2060.0000 -185.65888 -177.23430 8.42458 2.69808 -178.31681 887.57315
2065.0000 -186.69221 -178.76150 7.93071 2.73808 -177.59282 902.91487
2070.0000 -186.35360 -176.34103 10.01257 2.69306 -178.40772 867.16096
2075.0000 -186.45781 -177.02023 9.43758 2.78259 -176.78722 927.14315
2080.0000 -187.25209 -177.80214 9.44994 2.71679 -177.97821 898.97112
2085.0000 -187.59795 -178.30383 9.29412 2.68767 -178.50511 855.99766
2090.0000 -185.44390 -176.01957 9.42433 2.79695 -176.52738 914.51688
2095.0000 -186.82700 -178.86034 7.96666 2.71044 -178.09304 903.09903
2100.0000 -189.19590 -180.74970 8.44621 2.64005 -179.36712 864.54058
2105.0000 -187.20139 -178.74590 8.45549 2.55794 -180.85313 786.63035
2110.0000 -186.51439 -178.07420 8.44019 2.71611 -177.99054 859.62338
2115.0000 -187.36487 -177.87761 9.48725 2.72700 -177.79340 904.40126
2120.0000 -185.59239 -177.15257 8.43982 2.75692 -177.25190 930.79100
2125.0000 -186.17423 -176.58272 9.59152 2.77086 -176.99946 934.67420
2130.0000 -185.74141 -176.89141 8.85000 2.74453 -177.47604 913.97755
2135.0000 -186.92951 -179.30128 7.62823 2.70718 -178.15208 877.53268
2140.0000 -186.19555 -177.61983 8.57572 2.71481 -178.01395 876.79916
2145.0000 -185.00774 -175.77216 9.23558 2.79624 -176.54008 939.16468
2150.0000 -185.08983 -175.95338 9.13644 2.80874 -176.31394 934.58356
2155.0000 -187.85238 -177.50619 10.34619 2.77192 -176.98026 924.67396
2160.0000 -186.52821 -178.34312 8.18509 2.69372 -178.39568 873.78147
2165.0000 -186.12884 -177.93747 8.19137 2.67265 -178.77699 849.13082
2170.0000 -187.22629 -178.54417 8.68212 2.69854 -178.30855 875.33430
2175.0000 -186.78063 -177.92898 8.85165 2.70316 -178.22491 881.61497
2180.0000 -185.23731 -176.27550 8.96181 2.74734 -177.42528 894.20670
2185.0000 -185.03931 -176.35979 8.67952 2.83146 -175.90280 971.87464
2190.0000 -185.73530 -175.86646 9.86885 2.85397 -175.49522 999.69372
2195.0000 -186.31606 -178.08948 8.22658 2.76466 -177.11177 921.50876
2200.0000 -186.82305 -178.58100 8.24205 2.65581 -179.08187 857.35297
2205.0000 -189.01692 -180.55978 8.45713 2.63742 -179.41477 852.45805
2210.0000 -186.80995 -178.92785 7.88209 2.60166 -180.06191 810.77049
2215.0000 -186.78441 -177.71364 9.07077 2.70159 -178.25332 879.05863
2220.0000 -187.71083 -177.50907 10.20175 2.72977 -177.74323 906.19153
2225.0000 -185.31388 -176.45325 8.86063 2.79754 -176.51655 954.56295
2230.0000 -185.64416 -176.46910 9.17506 2.78874 -176.67599 931.47200
2235.0000 -187.99630 -177.72620 10.27010 2.75460 -177.29379 947.17931
2240.0000 -185.93339 -177.22566 8.70773 2.74961 -177.38416 924.62468
2245.0000 -184.82041 -175.09483 9.72558 2.81619 -176.17913 960.34547
2250.0000 -187.01480 -177.80930 9.20550 2.82966 -175.93530 959.89511
FREEZING PROCESS: loop number 10 T-loop= 856.00000000000000
main_MD> interactions number 10 at Temperature= 856.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36814 -0.04129 -2.24095
force_rgl> df(natom) -0.75850 1.75058 -1.99965
2255.0000 -189.02811 -180.86671 8.16140 2.62755 -179.59324 836.82819
2260.0000 -187.10256 -179.04817 8.05439 2.61836 -179.75960 831.62370
2265.0000 -187.28976 -178.47024 8.81952 2.65338 -179.12580 848.84858
2270.0000 -189.13518 -179.64716 9.48802 2.63165 -179.51904 855.39791
2275.0000 -187.73610 -179.63621 8.09989 2.62905 -179.56624 847.76903
2280.0000 -188.97481 -180.34468 8.63012 2.60071 -180.07906 820.51359
2285.0000 -188.17994 -179.84594 8.33400 2.58337 -180.39287 816.75124
2290.0000 -187.23711 -178.94486 8.29225 2.65476 -179.10076 862.96600
2295.0000 -188.29983 -179.95459 8.34524 2.61872 -179.75312 834.48495
2300.0000 -188.65339 -179.63323 9.02016 2.64967 -179.19296 870.67360
2305.0000 -188.89250 -178.92439 9.96812 2.63513 -179.45615 875.25738
2310.0000 -185.15834 -177.96881 7.18952 2.64375 -179.30014 846.05991
2315.0000 -189.48985 -180.22999 9.25986 2.65527 -179.09166 839.72304
2320.0000 -186.29853 -178.35233 7.94620 2.65322 -179.12873 862.87984
2325.0000 -186.69387 -178.10758 8.58628 2.74614 -177.44696 891.93752
2330.0000 -188.16947 -179.31148 8.85799 2.66008 -179.00459 870.37252
2335.0000 -187.70024 -179.72003 7.98021 2.61131 -179.88724 844.17501
2340.0000 -187.75747 -179.31104 8.44643 2.59735 -180.13991 826.11792
2345.0000 -186.77671 -177.50825 9.26846 2.66088 -178.99012 852.34808
2350.0000 -187.11512 -178.10762 9.00750 2.71885 -177.94094 902.40305
2355.0000 -189.46212 -180.95693 8.50519 2.63688 -179.42446 846.04665
2360.0000 -187.47859 -180.42588 7.05271 2.56737 -180.68249 786.72909
2365.0000 -187.95063 -179.68285 8.26778 2.61842 -179.75859 857.33290
2370.0000 -187.97065 -180.43583 7.53482 2.61248 -179.86612 825.76105
2375.0000 -188.50075 -180.55358 7.94717 2.58876 -180.29536 837.72424
2380.0000 -189.19090 -178.62281 10.56809 2.64536 -179.27092 868.40432
2385.0000 -188.17299 -179.52285 8.65014 2.64349 -179.30475 817.70570
2390.0000 -188.54092 -179.34158 9.19934 2.64164 -179.33824 842.95618
2395.0000 -187.94243 -179.73423 8.20821 2.60561 -179.99041 827.19528
2400.0000 -188.91773 -178.94423 9.97351 2.65628 -179.07336 852.98716
2405.0000 -188.26947 -178.86108 9.40839 2.70404 -178.20900 890.94838
2410.0000 -188.12564 -179.56798 8.55766 2.62487 -179.64176 844.05309
2415.0000 -187.05983 -178.07590 8.98393 2.64378 -179.29961 842.80069
2420.0000 -187.24179 -179.96963 7.27216 2.64390 -179.29737 843.06654
2425.0000 -188.05410 -179.13887 8.91523 2.61812 -179.76395 854.62951
2430.0000 -187.00436 -179.37267 7.63169 2.65837 -179.03557 848.23073
2435.0000 -187.56440 -179.33627 8.22813 2.61354 -179.84687 830.42174
2440.0000 -187.18619 -178.83297 8.35322 2.68868 -178.48694 898.64966
2445.0000 -185.04747 -177.75077 7.29670 2.69847 -178.30967 901.16626
2450.0000 -187.14302 -179.68677 7.45625 2.62113 -179.70950 836.17291
2455.0000 -188.17882 -180.68427 7.49455 2.61106 -179.89176 827.18528
2460.0000 -187.06429 -179.68117 7.38312 2.64855 -179.21318 855.00563
2465.0000 -189.08938 -178.74244 10.34695 2.60776 -179.95157 813.46282
2470.0000 -185.90436 -177.03985 8.86451 2.71040 -178.09380 910.37828
2475.0000 -186.71860 -176.49783 10.22077 2.79587 -176.54690 956.90849
2480.0000 -189.10232 -178.95633 10.14599 2.72924 -177.75290 922.24823
2485.0000 -188.21813 -178.47094 9.74719 2.63356 -179.48463 877.16830
2490.0000 -187.88506 -179.63203 8.25303 2.60611 -179.98144 833.63875
2495.0000 -188.15352 -179.86060 8.29291 2.57129 -180.61153 808.98342
2500.0000 -188.94578 -179.11680 9.82898 2.62102 -179.71158 837.91093
FREEZING PROCESS: loop number 11 T-loop= 831.00000000000000
main_MD> interactions number 11 at Temperature= 831.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.87846 0.66584 1.23754
force_rgl> df(natom) 2.77700 1.20994 -0.26662
2505.0000 -189.27043 -181.31840 7.95203 2.60958 -179.91864 829.22855
2510.0000 -188.13681 -180.22640 7.91041 2.56930 -180.64755 795.29623
2515.0000 -187.75882 -177.66546 10.09336 2.65101 -179.16870 870.71997
2520.0000 -186.40095 -177.78422 8.61673 2.69901 -178.29999 904.30120
2525.0000 -187.18861 -179.10040 8.08821 2.67843 -178.67253 854.35014
2530.0000 -186.48003 -179.03297 7.44706 2.66726 -178.87454 835.01451
2535.0000 -188.70825 -179.45432 9.25393 2.63986 -179.37050 845.87715
2540.0000 -186.79064 -178.70119 8.08945 2.63799 -179.40431 855.24187
2545.0000 -187.68377 -179.54979 8.13398 2.65372 -179.11959 846.71652
2550.0000 -189.33620 -180.94597 8.39024 2.58729 -180.32199 799.28328
2555.0000 -188.20782 -180.07959 8.12823 2.53808 -181.21266 770.35803
2560.0000 -190.19148 -182.86301 7.32847 2.51040 -181.71359 781.73907
2565.0000 -190.31318 -181.66381 8.64937 2.44701 -182.86105 712.62415
2570.0000 -188.99387 -181.63603 7.35784 2.50861 -181.74601 772.03339
2575.0000 -189.07036 -182.58092 6.48944 2.47680 -182.32182 738.65697
2580.0000 -188.78138 -181.08825 7.69313 2.48092 -182.24731 746.36620
2585.0000 -188.27314 -179.16048 9.11266 2.60568 -179.98924 832.33040
2590.0000 -187.38255 -178.62876 8.75379 2.66568 -178.90322 890.85243
2595.0000 -187.47949 -178.22818 9.25131 2.70291 -178.22930 869.71276
2600.0000 -187.60688 -179.45590 8.15098 2.65952 -179.01465 823.50258
2605.0000 -187.48806 -179.51192 7.97614 2.59320 -180.21509 779.78640
2610.0000 -189.66719 -181.37769 8.28950 2.56101 -180.79770 814.14871
2615.0000 -189.13883 -182.18264 6.95619 2.49064 -182.07124 753.27148
2620.0000 -189.19349 -179.81809 9.37540 2.57659 -180.51559 812.30575
2625.0000 -188.86992 -180.54225 8.32766 2.64541 -179.27006 875.81002
2630.0000 -188.26788 -180.56937 7.69851 2.55885 -180.83680 795.02587
2635.0000 -187.84881 -179.11504 8.73377 2.64146 -179.34149 838.53935
2640.0000 -187.97937 -179.95847 8.02090 2.62511 -179.63748 828.44565
2645.0000 -187.89594 -179.38514 8.51080 2.60928 -179.92395 817.05933
2650.0000 -189.90853 -181.86734 8.04119 2.57967 -180.45991 814.14536
2655.0000 -187.99296 -179.96655 8.02641 2.55855 -180.84224 818.15094
2660.0000 -189.27471 -182.02392 7.25078 2.60382 -180.02280 805.35759
2665.0000 -188.47369 -180.73589 7.73781 2.53996 -181.17870 774.38376
2670.0000 -187.92666 -180.96797 6.95869 2.53677 -181.23644 788.54349
2675.0000 -189.26956 -180.72344 8.54612 2.51572 -181.61733 765.96871
2680.0000 -188.11397 -180.24784 7.86614 2.57737 -180.50155 821.29345
2685.0000 -189.40113 -181.49661 7.90452 2.55843 -180.84443 776.87467
2690.0000 -189.27555 -181.85519 7.42036 2.54102 -181.15954 771.84744
2695.0000 -187.24782 -179.64159 7.60623 2.58566 -180.35146 780.57134
2700.0000 -185.19052 -178.16645 7.02407 2.65667 -179.06625 853.18352
2705.0000 -188.56175 -181.19546 7.36629 2.61780 -179.76972 847.64422
2710.0000 -189.32476 -181.08055 8.24421 2.52434 -181.46128 788.94182
2715.0000 -188.35316 -180.96976 7.38340 2.56157 -180.78757 788.71187
2720.0000 -189.20581 -179.75507 9.45073 2.60299 -180.03781 827.62623
2725.0000 -188.06146 -181.10724 6.95422 2.60536 -179.99489 817.51342
2730.0000 -188.69907 -180.45646 8.24261 2.56238 -180.77285 821.95503
2735.0000 -188.14598 -180.17766 7.96831 2.56293 -180.76293 809.98951
2740.0000 -189.74853 -180.75735 8.99118 2.57465 -180.55079 813.54849
2745.0000 -187.90346 -179.87960 8.02387 2.58431 -180.37596 814.96222
2750.0000 -188.27019 -180.04905 8.22114 2.59523 -180.17831 805.98726
FREEZING PROCESS: loop number 12 T-loop= 806.00000000000000
main_MD> interactions number 12 at Temperature= 806.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.29012 -0.04764 -1.07192
force_rgl> df(natom) -0.57948 -7.18848 -0.56071
2755.0000 -189.20193 -180.61458 8.58736 2.55742 -180.86263 782.19467
2760.0000 -188.05127 -179.83109 8.22018 2.58991 -180.27462 814.84079
2765.0000 -187.97271 -179.39050 8.58221 2.62328 -179.67062 840.61261
2770.0000 -187.59405 -177.31742 10.27663 2.73580 -177.63401 935.89913
2775.0000 -189.18587 -180.73513 8.45075 2.70639 -178.16633 881.81888
2780.0000 -187.91871 -180.94972 6.96899 2.56142 -180.79020 763.58129
2785.0000 -187.22645 -179.57583 7.65062 2.54380 -181.10918 768.50138
2790.0000 -187.07622 -179.96405 7.11217 2.61164 -179.88134 810.13298
2795.0000 -187.60790 -179.93954 7.66835 2.60668 -179.97108 813.12537
2800.0000 -188.02422 -181.08163 6.94259 2.55636 -180.88185 769.57437
2805.0000 -188.78955 -180.57746 8.21209 2.58288 -180.40180 792.65308
2810.0000 -188.84342 -180.30112 8.54230 2.65244 -179.14286 849.59021
2815.0000 -187.91808 -179.66500 8.25308 2.62866 -179.57315 839.65616
2820.0000 -188.78554 -179.88846 8.89708 2.59574 -180.16908 822.51354
2825.0000 -188.58365 -180.69628 7.88737 2.60247 -180.04726 829.71349
2830.0000 -187.63131 -179.42805 8.20326 2.54929 -181.00970 805.62530
2835.0000 -187.44328 -179.47152 7.97176 2.63126 -179.52613 837.49464
2840.0000 -186.61078 -179.26914 7.34163 2.62911 -179.56506 843.20591
2845.0000 -188.77878 -180.84931 7.92947 2.57384 -180.56551 794.69560
2850.0000 -187.87440 -179.76426 8.11014 2.60413 -180.01725 819.49622
2855.0000 -188.56048 -180.82197 7.73851 2.59879 -180.11393 802.89982
2860.0000 -188.06149 -180.36048 7.70101 2.56810 -180.66940 782.93512
2865.0000 -188.68391 -180.52460 8.15931 2.59288 -180.22089 840.48513
2870.0000 -188.66568 -180.33061 8.33507 2.59961 -180.09901 826.77445
2875.0000 -188.15642 -180.07116 8.08526 2.55649 -180.87955 768.29565
2880.0000 -187.82156 -179.98790 7.83366 2.59057 -180.26270 816.07010
2885.0000 -186.78341 -179.16061 7.62280 2.64153 -179.34023 860.29583
2890.0000 -187.55023 -177.50351 10.04672 2.69087 -178.44731 889.49164
2895.0000 -187.52632 -178.79390 8.73242 2.72225 -177.87933 898.70603
2900.0000 -187.93313 -179.90547 8.02765 2.70211 -178.24386 880.40408
2905.0000 -187.40669 -180.43626 6.97043 2.61495 -179.82135 843.68730
2910.0000 -189.31326 -180.76109 8.55217 2.60712 -179.96306 821.95502
2915.0000 -187.83125 -180.17193 7.65932 2.61249 -179.86598 839.09975
2920.0000 -189.23567 -181.80459 7.43108 2.56408 -180.74213 811.24119
2925.0000 -189.73817 -182.03404 7.70413 2.45118 -182.78554 733.02634
2930.0000 -188.93140 -181.08056 7.85085 2.50166 -181.87192 772.52027
2935.0000 -188.49146 -180.40959 8.08187 2.55946 -180.82578 792.87737
2940.0000 -189.34524 -181.24952 8.09572 2.53391 -181.28806 793.45138
2945.0000 -186.53351 -179.05558 7.47793 2.59472 -180.18749 825.06975
2950.0000 -188.52350 -181.63219 6.89131 2.63746 -179.41403 838.09638
2955.0000 -188.98715 -180.58354 8.40361 2.55843 -180.84427 783.00816
2960.0000 -188.21564 -180.82251 7.39313 2.52113 -181.51938 766.52878
2965.0000 -189.02433 -181.90488 7.11945 2.51790 -181.57784 773.11775
2970.0000 -189.20800 -179.86550 9.34250 2.53901 -181.19590 791.70531
2975.0000 -189.08739 -179.55292 9.53446 2.61224 -179.87051 831.14735
2980.0000 -189.91740 -180.88785 9.02955 2.65877 -179.02831 866.04554
2985.0000 -187.59326 -179.55222 8.04104 2.59322 -180.21470 822.46164
2990.0000 -187.88055 -181.18985 6.69069 2.56181 -180.78314 800.23720
2995.0000 -189.16044 -181.78336 7.37708 2.53253 -181.31304 773.95508
3000.0000 -189.48463 -182.02283 7.46179 2.51191 -181.68636 744.67418
FREEZING PROCESS: loop number 13 T-loop= 781.00000000000000
main_MD> interactions number 13 at Temperature= 781.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59585 0.05534 5.19030
force_rgl> df(natom) -2.47129 0.76567 0.40378
3005.0000 -189.34409 -181.60462 7.73947 2.48234 -182.22154 753.36842
3010.0000 -189.38816 -181.27867 8.10948 2.55489 -180.90846 782.56077
3015.0000 -189.65106 -181.79586 7.85520 2.51842 -181.56855 780.61527
3020.0000 -189.56750 -181.52778 8.03972 2.51550 -181.62133 763.52089
3025.0000 -187.77523 -180.46530 7.30993 2.53568 -181.25614 734.11977
3030.0000 -188.01824 -179.73440 8.28384 2.55277 -180.94675 766.79982
3035.0000 -188.39439 -180.67164 7.72276 2.56694 -180.69039 797.67537
3040.0000 -188.61385 -180.59981 8.01404 2.52898 -181.37732 795.38653
3045.0000 -189.47808 -179.85409 9.62399 2.55960 -180.82315 802.08500
3050.0000 -189.88906 -181.07026 8.81880 2.57734 -180.50217 835.08516
3055.0000 -188.34047 -180.80688 7.53359 2.56511 -180.72351 819.83519
3060.0000 -190.09867 -181.69562 8.40305 2.53291 -181.30616 799.81949
3065.0000 -189.74345 -182.55849 7.18496 2.49077 -182.06886 784.73523
3070.0000 -189.29331 -181.22620 8.06711 2.48059 -182.25327 756.91065
3075.0000 -191.04331 -183.23272 7.81059 2.46699 -182.49931 735.48627
3080.0000 -188.66854 -181.81209 6.85645 2.48158 -182.23529 745.82401
3085.0000 -189.98932 -181.99044 7.99888 2.49658 -181.96380 762.67690
3090.0000 -190.07177 -182.34185 7.72992 2.49972 -181.90697 795.19707
3095.0000 -191.79228 -184.62824 7.16405 2.39582 -183.78752 700.43333
3100.0000 -191.12499 -183.66580 7.45919 2.38551 -183.97403 677.65701
3105.0000 -189.63564 -181.79204 7.84360 2.49461 -181.99944 775.35986
3110.0000 -189.65023 -181.06450 8.58572 2.53471 -181.27367 787.02478
3115.0000 -190.10574 -181.93893 8.16681 2.54745 -181.04308 792.81474
3120.0000 -189.39586 -182.18245 7.21342 2.49461 -181.99949 773.11273
3125.0000 -189.65256 -181.20498 8.44758 2.46852 -182.47174 733.67705
3130.0000 -189.63262 -181.32165 8.31097 2.54550 -181.07832 788.71248
3135.0000 -189.35908 -181.22829 8.13079 2.57445 -180.55435 810.06084
3140.0000 -188.95582 -180.83187 8.12395 2.60900 -179.92905 821.90372
3145.0000 -189.75995 -182.54767 7.21228 2.47574 -182.34104 742.57863
3150.0000 -189.88045 -182.18273 7.69773 2.49408 -182.00895 778.39582
3155.0000 -190.00915 -182.19487 7.81427 2.47193 -182.40986 754.26477
3160.0000 -190.62962 -182.69602 7.93360 2.47129 -182.42158 751.60767
3165.0000 -188.91931 -182.32275 6.59656 2.44699 -182.86130 740.18368
3170.0000 -187.51671 -180.36282 7.15389 2.52021 -181.53612 775.97643
3175.0000 -186.38598 -178.50039 7.88559 2.60518 -179.99817 843.20520
3180.0000 -187.12443 -180.68574 6.43869 2.65216 -179.14798 841.64324
3185.0000 -190.05857 -181.78175 8.27682 2.50825 -181.75266 762.14677
3190.0000 -190.15103 -182.17438 7.97665 2.51811 -181.57414 757.87601
3195.0000 -190.66616 -183.23672 7.42944 2.44604 -182.87849 723.23616
3200.0000 -190.54166 -183.93873 6.60293 2.42624 -183.23686 705.36218
3205.0000 -191.64160 -184.12150 7.52009 2.40298 -183.65783 691.24792
3210.0000 -189.50439 -181.94313 7.56126 2.46522 -182.53139 760.76172
3215.0000 -189.63148 -181.46838 8.16310 2.51833 -181.57018 774.45644
3220.0000 -190.59197 -183.09569 7.49628 2.48193 -182.22895 750.90746
3225.0000 -190.81442 -182.15065 8.66377 2.46732 -182.49329 742.79337
3230.0000 -189.39876 -180.78308 8.61568 2.50930 -181.73364 741.54474
3235.0000 -189.69852 -181.31243 8.38608 2.50241 -181.85827 752.68472
3240.0000 -188.29478 -180.09146 8.20332 2.56996 -180.63559 783.59455
3245.0000 -187.51579 -179.85238 7.66341 2.61153 -179.88332 811.23983
3250.0000 -188.27383 -179.05996 9.21387 2.62277 -179.67992 842.56088
FREEZING PROCESS: loop number 14 T-loop= 756.00000000000000
main_MD> interactions number 14 at Temperature= 756.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36234 1.93782 -0.64133
force_rgl> df(natom) 4.14100 3.56131 -2.58874
3255.0000 -189.20574 -180.09422 9.11152 2.55671 -180.87549 796.83867
3260.0000 -188.49257 -181.46069 7.03188 2.56450 -180.73441 794.69504
3265.0000 -187.16029 -180.17490 6.98540 2.56401 -180.74333 787.86385
3270.0000 -188.51282 -180.28768 8.22513 2.62917 -179.56400 845.21868
3275.0000 -189.49283 -181.40034 8.09249 2.56964 -180.64150 826.41304
3280.0000 -188.65503 -181.46588 7.18915 2.50292 -181.84900 766.64786
3285.0000 -190.70592 -183.50446 7.20146 2.44220 -182.94797 726.56629
3290.0000 -190.25099 -183.26696 6.98403 2.39840 -183.74083 695.32788
3295.0000 -189.87319 -182.16835 7.70484 2.48033 -182.25786 719.73897
3300.0000 -189.56987 -182.12007 7.44980 2.45000 -182.80686 715.22526
3305.0000 -189.22584 -182.40715 6.81869 2.48022 -182.25990 699.63892
3310.0000 -189.02879 -182.13403 6.89476 2.49556 -181.98221 757.53279
3315.0000 -189.81865 -183.17701 6.64164 2.42328 -183.29048 696.04625
3320.0000 -189.67927 -183.08254 6.59673 2.44320 -182.92998 730.63604
3325.0000 -189.36039 -182.46001 6.90038 2.41204 -183.49395 712.32080
3330.0000 -189.63286 -181.96248 7.67038 2.48229 -182.22243 766.84486
3335.0000 -189.05505 -181.55376 7.50129 2.48555 -182.16343 744.97592
3340.0000 -189.89030 -182.32077 7.56953 2.48080 -182.24933 755.41600
3345.0000 -188.68432 -181.49344 7.19087 2.48284 -182.21246 759.39126
3350.0000 -191.49089 -183.60495 7.88594 2.43103 -183.15025 727.87026
3355.0000 -189.91095 -182.67041 7.24054 2.43608 -183.05886 724.07869
3360.0000 -188.06794 -180.85246 7.21548 2.53028 -181.35387 759.39494
3365.0000 -189.34789 -182.21394 7.13394 2.54611 -181.06728 761.81570
3370.0000 -190.09368 -181.69592 8.39777 2.51420 -181.64482 755.67812
3375.0000 -189.39132 -181.17004 8.22129 2.52156 -181.51173 768.85708
3380.0000 -189.58550 -181.76640 7.81911 2.51539 -181.62342 761.22198
3385.0000 -189.11121 -180.73222 8.37899 2.51581 -181.61576 773.05181
3390.0000 -190.13960 -182.64138 7.49822 2.48860 -182.10819 745.32570
3395.0000 -189.54743 -182.28933 7.25809 2.49013 -182.08049 766.07448
3400.0000 -188.92074 -181.00529 7.91545 2.51367 -181.65451 771.03568
3405.0000 -189.71828 -183.15514 6.56314 2.48932 -182.09525 740.41666
3410.0000 -189.78776 -182.68866 7.09911 2.45260 -182.75985 726.69360
3415.0000 -190.28960 -183.11973 7.16987 2.43481 -183.08186 697.97845
3420.0000 -190.78901 -183.84969 6.93932 2.43190 -183.13443 703.10426
3425.0000 -189.59687 -181.49018 8.10669 2.47229 -182.40334 740.88590
3430.0000 -189.78731 -183.23519 6.55211 2.40727 -183.58030 675.25770
3435.0000 -190.90394 -183.93034 6.97360 2.39285 -183.84125 710.55876
3440.0000 -190.78813 -184.55902 6.22911 2.37420 -184.17877 685.92437
3445.0000 -189.09675 -182.48763 6.60912 2.38660 -183.95440 685.10613
3450.0000 -188.52637 -180.43650 8.08988 2.49824 -181.93380 777.63566
3455.0000 -188.82509 -180.99386 7.83122 2.55196 -180.96146 795.67358
3460.0000 -189.66222 -181.66164 8.00058 2.55152 -180.96942 816.27444
3465.0000 -188.22706 -179.88942 8.33765 2.56628 -180.70232 815.58527
3470.0000 -188.53397 -179.53109 9.00288 2.60574 -179.98803 836.12018
3475.0000 -189.07700 -181.60555 7.47145 2.55428 -180.91938 801.00484
3480.0000 -189.28777 -179.93951 9.34826 2.54647 -181.06085 779.53030
3485.0000 -187.92857 -180.04900 7.87958 2.57345 -180.57250 803.51751
3490.0000 -189.08530 -180.94447 8.14084 2.52218 -181.50041 756.11486
3495.0000 -190.12163 -180.81333 9.30830 2.53230 -181.31727 778.05676
3500.0000 -189.11457 -180.55141 8.56315 2.53961 -181.18506 782.79136
FREEZING PROCESS: loop number 15 T-loop= 731.00000000000000
main_MD> interactions number 15 at Temperature= 731.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29828 -0.61569 0.70795
force_rgl> df(natom) 0.37804 0.50108 -0.14881
3505.0000 -189.53411 -182.28163 7.25248 2.52663 -181.41990 758.98168
3510.0000 -189.63760 -182.16014 7.47746 2.45514 -182.71374 753.99917
3515.0000 -188.84244 -181.90771 6.93473 2.51146 -181.69452 767.97423
3520.0000 -189.92448 -182.61242 7.31206 2.48363 -182.19809 745.20387
3525.0000 -190.42821 -184.24623 6.18198 2.42050 -183.34078 709.00503
3530.0000 -188.84624 -182.20577 6.64048 2.45127 -182.78378 716.96583
3535.0000 -190.64921 -183.22229 7.42691 2.44634 -182.87304 730.36907
3540.0000 -190.44349 -183.88960 6.55389 2.39472 -183.80746 705.16304
3545.0000 -190.76046 -184.42086 6.33960 2.38740 -183.93987 676.23672
3550.0000 -190.06539 -183.38030 6.68509 2.39334 -183.83234 718.01869
3555.0000 -189.44054 -182.35226 7.08828 2.44892 -182.82631 729.11020
3560.0000 -189.41486 -181.94596 7.46889 2.50216 -181.86278 760.23252
3565.0000 -189.72828 -181.92069 7.80758 2.47056 -182.43471 738.11877
3570.0000 -188.49399 -181.98326 6.51073 2.47745 -182.31009 728.96474
3575.0000 -189.73522 -182.68030 7.05492 2.49756 -181.94604 745.53460
3580.0000 -190.54434 -182.82405 7.72029 2.45841 -182.65469 722.32930
3585.0000 -189.58093 -181.69464 7.88629 2.45280 -182.75613 726.61485
3590.0000 -190.66949 -183.33791 7.33158 2.54553 -181.07779 793.35910
3595.0000 -190.44420 -182.21850 8.22570 2.49190 -182.04843 738.25284
3600.0000 -191.25648 -184.02270 7.23378 2.42857 -183.19463 699.65734
3605.0000 -189.28135 -183.22019 6.06116 2.36970 -184.26023 674.89049
3610.0000 -189.44676 -181.78021 7.66655 2.47839 -182.29293 743.00578
3615.0000 -189.73848 -181.78077 7.95772 2.48530 -182.16795 760.33573
3620.0000 -189.10185 -182.63676 6.46509 2.49082 -182.06798 770.89500
3625.0000 -191.02282 -182.33863 8.68420 2.46507 -182.53413 758.51364
3630.0000 -188.55614 -179.84582 8.71032 2.53185 -181.32538 774.71054
3635.0000 -189.30347 -179.42575 9.87771 2.64509 -179.27578 863.83667
3640.0000 -188.80429 -181.27731 7.52698 2.55348 -180.93387 807.71694
3645.0000 -190.96678 -184.13247 6.83431 2.47256 -182.39855 752.24874
3650.0000 -191.27392 -183.55829 7.71563 2.38736 -183.94050 675.44340
3655.0000 -188.90078 -182.36948 6.53130 2.43588 -183.06240 735.13121
3660.0000 -190.18621 -182.13476 8.05146 2.50309 -181.84589 760.14528
3665.0000 -191.12276 -184.72831 6.39446 2.46128 -182.60274 748.28466
3670.0000 -190.52093 -183.14748 7.37344 2.42896 -183.18772 719.52028
3675.0000 -191.66867 -183.69582 7.97285 2.41713 -183.40182 713.71262
3680.0000 -190.51579 -182.58952 7.92627 2.46251 -182.58046 737.84893
3685.0000 -191.05095 -182.60698 8.44397 2.43563 -183.06702 729.86308
3690.0000 -189.20316 -182.02286 7.18030 2.47544 -182.34640 730.17369
3695.0000 -188.01039 -180.32508 7.68531 2.53180 -181.32624 747.20210
3700.0000 -189.14105 -182.13586 7.00519 2.54154 -181.15000 802.80120
3705.0000 -189.09699 -181.50639 7.59060 2.47559 -182.34369 742.82991
3710.0000 -189.48596 -181.54578 7.94018 2.53695 -181.23318 769.92052
3715.0000 -190.49113 -183.16276 7.32838 2.47601 -182.33600 736.52330
3720.0000 -190.17360 -183.04668 7.12692 2.44112 -182.96758 736.20635
3725.0000 -192.24325 -183.17718 9.06607 2.45519 -182.71282 724.70213
3730.0000 -189.87642 -181.77932 8.09709 2.47030 -182.43951 732.59907
3735.0000 -187.88413 -180.42842 7.45571 2.54579 -181.07316 772.96130
3740.0000 -188.93852 -182.41478 6.52374 2.53967 -181.18397 769.71169
3745.0000 -190.13628 -182.46971 7.66657 2.46228 -182.58458 703.20306
3750.0000 -190.10891 -182.55311 7.55580 2.48110 -182.24391 745.84088
FREEZING PROCESS: loop number 16 T-loop= 706.00000000000000
main_MD> interactions number 16 at Temperature= 706.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62769 -0.56154 -1.15425
force_rgl> df(natom) -1.09706 0.47660 2.15776
3755.0000 -190.57703 -183.05514 7.52190 2.45884 -182.64678 738.68274
3760.0000 -190.65731 -183.54828 7.10904 2.43821 -183.02027 712.29770
3765.0000 -190.15681 -182.88179 7.27502 2.48680 -182.14088 738.50581
3770.0000 -190.72105 -183.82477 6.89627 2.40453 -183.62987 706.88907
3775.0000 -189.90310 -182.39713 7.50597 2.44013 -182.98556 724.12732
3780.0000 -190.11222 -183.61577 6.49645 2.47324 -182.38623 721.51273
3785.0000 -189.13584 -182.18428 6.95156 2.40737 -183.57843 692.88920
3790.0000 -188.77197 -182.15197 6.62000 2.49091 -182.06636 756.59150
3795.0000 -190.71353 -183.16396 7.54958 2.44900 -182.82486 716.26499
3800.0000 -190.23159 -182.99729 7.23430 2.44326 -182.92879 724.47940
3805.0000 -191.01637 -183.48198 7.53440 2.41700 -183.40407 719.52536
3810.0000 -189.47442 -183.42808 6.04634 2.47306 -182.38952 748.43265
3815.0000 -191.10244 -183.74506 7.35738 2.42263 -183.30223 701.34889
3820.0000 -190.00613 -183.27960 6.72653 2.39651 -183.77503 682.94608
3825.0000 -189.87678 -183.53057 6.34621 2.45298 -182.75299 719.88534
3830.0000 -189.85034 -182.49781 7.35253 2.44478 -182.90135 704.34178
3835.0000 -189.32573 -183.06879 6.25694 2.46618 -182.51405 759.26992
3840.0000 -190.54539 -184.83473 5.71066 2.37396 -184.18314 677.65541
3845.0000 -190.75344 -183.98628 6.76716 2.34191 -184.76316 657.65949
3850.0000 -191.53690 -183.59009 7.94681 2.37136 -184.23020 678.26611
3855.0000 -189.73525 -183.04163 6.69362 2.43450 -183.08747 714.75080
3860.0000 -189.46264 -181.54225 7.92039 2.47770 -182.30552 736.07599
3865.0000 -191.08855 -183.61586 7.47268 2.45195 -182.77159 727.29974
3870.0000 -191.76399 -185.39776 6.36623 2.33655 -184.86015 655.49178
3875.0000 -191.85059 -185.95678 5.89382 2.33572 -184.87531 665.18086
3880.0000 -191.18294 -184.13617 7.04677 2.35541 -184.51884 660.47567
3885.0000 -190.76854 -184.87049 5.89805 2.34658 -184.67875 679.59290
3890.0000 -190.13893 -183.48973 6.64920 2.36027 -184.43094 653.93505
3895.0000 -192.15618 -184.71666 7.43952 2.36379 -184.36723 669.44194
3900.0000 -190.67920 -183.75000 6.92921 2.35978 -184.43971 690.83902
3905.0000 -190.01461 -183.59036 6.42425 2.39183 -183.85967 701.78846
3910.0000 -190.80789 -184.06897 6.73892 2.41055 -183.52087 693.22809
3915.0000 -190.06382 -184.40023 5.66358 2.37567 -184.15211 681.58458
3920.0000 -190.84278 -183.88330 6.95948 2.38545 -183.97521 711.50081
3925.0000 -191.23948 -184.01024 7.22924 2.41611 -183.42020 730.04627
3930.0000 -191.15466 -184.35260 6.80205 2.36148 -184.40896 692.42198
3935.0000 -190.68457 -184.14518 6.53938 2.35943 -184.44619 672.53456
3940.0000 -191.44016 -185.14092 6.29923 2.33088 -184.96279 668.33340
3945.0000 -190.05100 -183.29994 6.75106 2.35480 -184.52982 660.22841
3950.0000 -190.75615 -183.79533 6.96082 2.43778 -183.02801 701.33340
3955.0000 -191.51845 -184.76682 6.75163 2.34320 -184.73986 663.67331
3960.0000 -192.74937 -186.25441 6.49496 2.28355 -185.81939 641.99243
3965.0000 -191.76395 -185.36846 6.39548 2.27750 -185.92904 626.66766
3970.0000 -190.59207 -183.42361 7.16846 2.32793 -185.01623 646.12026
3975.0000 -189.97951 -184.09435 5.88516 2.40851 -183.55773 686.77680
3980.0000 -190.58408 -184.00198 6.58210 2.39943 -183.72219 704.86790
3985.0000 -189.81563 -182.93901 6.87661 2.39090 -183.87646 692.31052
3990.0000 -190.41212 -183.68840 6.72372 2.42765 -183.21142 721.38328
3995.0000 -192.03987 -184.21106 7.82881 2.38152 -184.04624 682.29034
4000.0000 -190.83535 -183.36114 7.47421 2.40478 -183.62534 696.06296
FREEZING PROCESS: loop number 17 T-loop= 681.00000000000000
main_MD> interactions number 17 at Temperature= 681.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89492 0.78869 4.57551
force_rgl> df(natom) -0.41913 1.89624 2.05176
4005.0000 -189.69939 -184.06996 5.62943 2.35988 -184.43786 683.23076
4010.0000 -192.09752 -185.85062 6.24689 2.33979 -184.80162 675.92884
4015.0000 -191.14146 -185.38940 5.75206 2.30340 -185.46021 648.32971
4020.0000 -189.98099 -183.69024 6.29075 2.34720 -184.66741 670.38380
4025.0000 -190.09697 -183.79398 6.30299 2.39424 -183.81604 702.66988
4030.0000 -191.56422 -183.56952 7.99470 2.36717 -184.30609 680.46553
4035.0000 -190.43383 -182.58871 7.84513 2.42149 -183.32287 732.86054
4040.0000 -189.42867 -184.59603 4.83264 2.40060 -183.70096 703.13702
4045.0000 -190.75299 -184.22354 6.52944 2.38497 -183.98380 696.49568
4050.0000 -191.27475 -185.21910 6.05565 2.34554 -184.69745 662.88173
4055.0000 -191.80143 -185.08168 6.71974 2.30752 -185.38559 640.43559
4060.0000 -191.07013 -184.30493 6.76520 2.38669 -183.95280 701.45548
4065.0000 -190.86511 -184.28900 6.57611 2.35981 -184.43924 659.18018
4070.0000 -191.98819 -184.75685 7.23134 2.35524 -184.52191 659.78754
4075.0000 -192.13755 -185.18738 6.95018 2.32710 -185.03130 630.92897
4080.0000 -191.26012 -184.37129 6.88884 2.36215 -184.39694 660.29753
4085.0000 -191.77983 -185.85432 5.92551 2.34366 -184.73146 653.76680
4090.0000 -192.19784 -186.04053 6.15731 2.29038 -185.69588 634.38586
4095.0000 -191.42779 -184.60997 6.81782 2.32718 -185.02984 651.59987
4100.0000 -190.90343 -184.38693 6.51650 2.35633 -184.50213 683.25849
4105.0000 -190.33319 -183.95207 6.38112 2.38261 -184.02652 700.68536
4110.0000 -188.88900 -182.97722 5.91178 2.40007 -183.71053 687.04825
4115.0000 -190.13820 -183.77746 6.36074 2.42857 -183.19463 722.91069
4120.0000 -191.39063 -184.90805 6.48258 2.33769 -184.83957 661.09178
4125.0000 -191.51079 -185.93895 5.57184 2.32412 -185.08518 649.62252
4130.0000 -191.75841 -185.65776 6.10065 2.28950 -185.71181 627.41140
4135.0000 -190.99959 -184.45179 6.54780 2.30601 -185.41298 628.71983
4140.0000 -191.61984 -185.38836 6.23148 2.32243 -185.11584 624.87859
4145.0000 -190.47045 -183.61340 6.85705 2.38090 -184.05752 693.42370
4150.0000 -190.03485 -182.88622 7.14863 2.44692 -182.86260 728.57537
4155.0000 -190.33846 -183.90748 6.43098 2.41760 -183.39332 689.34729
4160.0000 -190.84095 -182.88193 7.95902 2.41017 -183.52769 680.83291
4165.0000 -190.84482 -184.54086 6.30395 2.38958 -183.90040 683.63093
4170.0000 -190.59928 -183.72127 6.87802 2.35851 -184.46283 630.64563
4175.0000 -190.85893 -183.64177 7.21717 2.36677 -184.31331 692.81110
4180.0000 -191.98649 -184.86892 7.11757 2.38627 -183.96032 689.17131
4185.0000 -190.03128 -183.48679 6.54449 2.35361 -184.55151 673.93852
4190.0000 -191.32565 -183.76077 7.56488 2.38486 -183.98584 687.89257
4195.0000 -190.89872 -183.14135 7.75737 2.39662 -183.77301 684.43683
4200.0000 -191.34308 -184.64270 6.70038 2.37040 -184.24748 676.69805
4205.0000 -188.65802 -182.34620 6.31183 2.41190 -183.49644 689.46254
4210.0000 -191.01189 -184.34263 6.66926 2.38876 -183.91529 676.93463
4215.0000 -191.22913 -185.28754 5.94158 2.33529 -184.88292 663.02266
4220.0000 -191.61555 -184.27804 7.33751 2.34946 -184.62647 678.46983
4225.0000 -190.80223 -183.99744 6.80478 2.36102 -184.41729 671.06085
4230.0000 -190.69949 -183.42890 7.27059 2.41148 -183.50411 707.69543
4235.0000 -191.77786 -184.01372 7.76414 2.36979 -184.25856 692.83628
4240.0000 -189.66790 -182.58914 7.07876 2.43248 -183.12386 730.39214
4245.0000 -191.18965 -184.33125 6.85840 2.42047 -183.34133 711.72729
4250.0000 -190.74593 -183.81640 6.92953 2.38160 -184.04485 688.81241
FREEZING PROCESS: loop number 18 T-loop= 656.00000000000000
main_MD> interactions number 18 at Temperature= 656.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03392 -4.51556 0.17851
force_rgl> df(natom) 1.56533 -0.90465 2.91468
4255.0000 -190.95610 -184.11939 6.83671 2.40850 -183.55804 707.08568
4260.0000 -192.48303 -184.58392 7.89911 2.33956 -184.80567 664.56842
4265.0000 -191.80230 -185.82692 5.97538 2.30957 -185.34847 631.71615
4270.0000 -190.67137 -185.01614 5.65523 2.32722 -185.02901 640.65017
4275.0000 -189.89681 -183.61493 6.28188 2.35450 -184.53526 630.17645
4280.0000 -191.05721 -184.63360 6.42361 2.36231 -184.39389 642.66163
4285.0000 -192.74932 -185.87083 6.87849 2.31508 -185.24882 644.08257
4290.0000 -193.13607 -187.35120 5.78487 2.26555 -186.14529 602.66421
4295.0000 -192.77869 -186.44833 6.33035 2.21876 -186.99203 587.23104
4300.0000 -191.73955 -185.08469 6.65487 2.29642 -185.58661 654.17322
4305.0000 -191.72803 -185.17799 6.55004 2.31242 -185.29691 637.89608
4310.0000 -190.44802 -183.99287 6.45515 2.35277 -184.56671 672.69942
4315.0000 -190.85229 -185.76407 5.08822 2.33884 -184.81875 660.76169
4320.0000 -191.78810 -185.03398 6.75413 2.28414 -185.80876 599.98751
4325.0000 -192.59344 -186.50077 6.09266 2.28261 -185.83646 603.86793
4330.0000 -192.53664 -185.39659 7.14004 2.26005 -186.24488 605.93302
4335.0000 -190.89547 -184.74225 6.15322 2.30367 -185.45533 644.25139
4340.0000 -190.65536 -184.99621 5.65916 2.32909 -184.99519 652.88071
4345.0000 -191.97979 -184.78295 7.19684 2.36977 -184.25897 672.99618
4350.0000 -191.33341 -184.21605 7.11737 2.38394 -184.00245 694.53243
4355.0000 -191.07864 -185.10082 5.97782 2.39276 -183.84280 699.64237
4360.0000 -191.18339 -184.59658 6.58681 2.32120 -185.13803 634.38187
4365.0000 -191.33704 -184.41432 6.92272 2.35897 -184.45451 659.19034
4370.0000 -191.42139 -185.21768 6.20371 2.32719 -185.02968 644.56895
4375.0000 -192.18046 -185.62912 6.55135 2.31850 -185.18697 632.54659
4380.0000 -190.83827 -184.71760 6.12067 2.34592 -184.69066 659.44363
4385.0000 -190.77094 -184.10331 6.66763 2.35983 -184.43880 659.64945
4390.0000 -191.08778 -184.12350 6.96428 2.38656 -183.95512 683.44014
4395.0000 -191.23543 -184.51354 6.72189 2.37087 -184.23895 686.63948
4400.0000 -191.71035 -185.18208 6.52827 2.35509 -184.52457 661.11823
4405.0000 -190.29176 -183.98241 6.30935 2.37358 -184.18992 681.45966
4410.0000 -191.08080 -185.37970 5.70110 2.37210 -184.21679 664.48256
4415.0000 -191.78535 -184.95837 6.82698 2.30615 -185.41037 634.60898
4420.0000 -190.65117 -183.02025 7.63092 2.35176 -184.58492 669.33547
4425.0000 -191.46013 -185.16586 6.29427 2.39917 -183.72679 687.04597
4430.0000 -191.56148 -185.32408 6.23740 2.32251 -185.11436 646.47681
4435.0000 -190.53194 -182.84892 7.68303 2.41237 -183.48794 681.68159
4440.0000 -190.22513 -183.71285 6.51228 2.39467 -183.80827 696.02030
4445.0000 -191.78187 -185.57847 6.20341 2.34594 -184.69031 650.46839
4450.0000 -191.95564 -185.36950 6.58614 2.30231 -185.47991 626.06588
4455.0000 -190.94750 -184.05902 6.88848 2.32875 -185.00144 644.88960
4460.0000 -190.77594 -185.47200 5.30394 2.33253 -184.93299 649.27378
4465.0000 -191.35961 -184.66704 6.69256 2.34080 -184.78320 639.08579
4470.0000 -190.18968 -183.35345 6.83623 2.34526 -184.70248 668.47618
4475.0000 -190.78187 -184.32164 6.46023 2.39699 -183.76628 717.11778
4480.0000 -190.84835 -184.30793 6.54042 2.40208 -183.67420 693.38916
4485.0000 -191.56065 -184.74729 6.81336 2.34335 -184.73716 662.03788
4490.0000 -191.81921 -184.67882 7.14039 2.33521 -184.88453 671.36200
4495.0000 -192.70186 -185.46736 7.23450 2.31572 -185.23725 645.46820
4500.0000 -190.33216 -183.93781 6.39435 2.32476 -185.07363 646.17760
FREEZING PROCESS: loop number 19 T-loop= 631.00000000000000
main_MD> interactions number 19 at Temperature= 631.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.65273 -1.43085 -0.69008
force_rgl> df(natom) 1.58918 1.63141 0.46235
4505.0000 -189.75544 -184.09151 5.66393 2.36613 -184.32477 667.94414
4510.0000 -191.37605 -184.68981 6.68624 2.34732 -184.66521 679.12054
4515.0000 -191.80438 -184.75027 7.05411 2.32563 -185.05783 655.89466
4520.0000 -192.05820 -185.13990 6.91830 2.33844 -184.82605 675.91666
4525.0000 -192.26419 -185.74063 6.52357 2.33116 -184.95775 647.78284
4530.0000 -191.52242 -185.88520 5.63722 2.27623 -185.95196 597.87629
4535.0000 -190.89636 -184.31638 6.57997 2.34204 -184.76078 631.25723
4540.0000 -191.78277 -186.11774 5.66504 2.31254 -185.29486 641.62945
4545.0000 -192.21736 -185.17914 7.03821 2.29754 -185.56631 614.38624
4550.0000 -192.16846 -185.57233 6.59613 2.31923 -185.17360 650.23461
4555.0000 -192.46536 -186.20161 6.26375 2.28152 -185.85616 622.96681
4560.0000 -192.31649 -185.87986 6.43663 2.30222 -185.48160 639.19849
4565.0000 -192.10451 -185.47425 6.63026 2.30169 -185.49120 632.35583
4570.0000 -192.06345 -185.56410 6.49935 2.31620 -185.22850 628.91414
4575.0000 -191.92843 -185.55999 6.36844 2.28712 -185.75478 636.67012
4580.0000 -191.54421 -186.32818 5.21603 2.26649 -186.12824 609.03725
4585.0000 -191.33086 -184.71901 6.61185 2.31304 -185.28565 629.94290
4590.0000 -192.01958 -186.04842 5.97116 2.26755 -186.10896 602.58483
4595.0000 -191.03557 -184.94832 6.08725 2.28657 -185.76478 615.12375
4600.0000 -192.98533 -187.06195 5.92338 2.27245 -186.02040 622.58548
4605.0000 -192.07593 -186.86406 5.21188 2.23286 -186.73687 584.70506
4610.0000 -191.20246 -185.50546 5.69700 2.25282 -186.37558 587.56344
4615.0000 -191.21838 -184.29820 6.92017 2.31287 -185.28886 645.82849
4620.0000 -191.09928 -184.72200 6.37727 2.32167 -185.12958 654.80734
4625.0000 -191.93061 -186.10526 5.82535 2.26117 -186.22454 606.72224
4630.0000 -191.70909 -186.03779 5.67130 2.26378 -186.17730 592.40943
4635.0000 -192.98652 -186.51979 6.46673 2.25052 -186.41736 607.65834
4640.0000 -190.96779 -185.19104 5.77675 2.32818 -185.01169 655.85479
4645.0000 -192.02518 -185.69596 6.32922 2.31850 -185.18699 633.95665
4650.0000 -191.90959 -186.10529 5.80430 2.28112 -185.86338 630.01923
4655.0000 -192.76880 -186.32581 6.44298 2.25191 -186.39219 611.01109
4660.0000 -192.53721 -186.30671 6.23050 2.27190 -186.03030 611.66351
4665.0000 -191.87835 -185.80075 6.07760 2.28633 -185.76922 628.66784
4670.0000 -192.36212 -186.49449 5.86763 2.23899 -186.62592 581.24477
4675.0000 -192.96999 -186.04009 6.92990 2.25645 -186.31002 615.36611
4680.0000 -192.61116 -187.50261 5.10855 2.20069 -187.31926 581.53419
4685.0000 -192.54145 -187.64792 4.89353 2.17688 -187.75017 557.07899
4690.0000 -192.43600 -185.37852 7.05748 2.25149 -186.39964 603.45784
4695.0000 -192.25032 -186.07084 6.17948 2.30918 -185.35554 625.38209
4700.0000 -191.71446 -185.48861 6.22585 2.29024 -185.69846 617.49019
4705.0000 -190.93620 -185.21551 5.72069 2.29440 -185.62310 605.33285
4710.0000 -192.04233 -185.20446 6.83787 2.31269 -185.29203 642.47130
4715.0000 -192.07689 -186.29182 5.78507 2.28878 -185.72481 631.01198
4720.0000 -191.08958 -183.80608 7.28351 2.35291 -184.56404 658.22970
4725.0000 -191.67505 -184.87538 6.79967 2.36108 -184.41618 669.29768
4730.0000 -192.53806 -186.45555 6.08251 2.28124 -185.86121 634.85357
4735.0000 -192.78573 -186.14726 6.63847 2.27075 -186.05108 618.64078
4740.0000 -191.57636 -185.70425 5.87211 2.30904 -185.35813 643.53874
4745.0000 -192.51947 -186.00763 6.51184 2.28612 -185.77293 638.65157
4750.0000 -193.06767 -187.20210 5.86557 2.24018 -186.60435 600.24270
FREEZING PROCESS: loop number 20 T-loop= 606.00000000000000
main_MD> interactions number 20 at Temperature= 606.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34497 -1.50176 -1.38420
force_rgl> df(natom) 1.32713 -4.80134 2.08848
4755.0000 -192.40392 -186.77302 5.63091 2.21370 -187.08377 571.75605
4760.0000 -191.30148 -185.53539 5.76609 2.28024 -185.87937 615.29299
4765.0000 -191.68356 -185.65336 6.03021 2.27395 -185.99319 605.44705
4770.0000 -192.45752 -186.81509 5.64242 2.26119 -186.22412 600.20965
4775.0000 -193.80148 -188.51205 5.28944 2.18470 -187.60864 562.23758
4780.0000 -192.87967 -187.01434 5.86533 2.18820 -187.54531 564.04280
4785.0000 -192.09042 -185.88564 6.20478 2.25403 -186.35370 616.83690
4790.0000 -191.01128 -184.89514 6.11614 2.32549 -185.06033 616.72457
4795.0000 -192.49149 -186.14998 6.34151 2.28936 -185.71440 638.96503
4800.0000 -191.39350 -185.62139 5.77210 2.25382 -186.35747 602.55997
4805.0000 -192.11026 -185.59028 6.51998 2.31552 -185.24075 638.49907
4810.0000 -191.69792 -185.90863 5.78928 2.27806 -185.91890 610.35035
4815.0000 -191.54275 -185.82513 5.71762 2.27554 -185.96442 622.56679
4820.0000 -191.56117 -185.38988 6.17128 2.29444 -185.62234 631.50956
4825.0000 -191.39733 -185.88936 5.50797 2.28834 -185.73272 596.84582
4830.0000 -192.13153 -185.11556 7.01596 2.31915 -185.17515 640.71618
4835.0000 -191.60066 -185.72742 5.87324 2.29635 -185.58775 628.96689
4840.0000 -192.05313 -186.59273 5.46040 2.24385 -186.53794 575.19968
4845.0000 -192.26080 -186.35766 5.90314 2.24950 -186.43574 597.52580
4850.0000 -192.06211 -186.39753 5.66457 2.24091 -186.59125 564.66898
4855.0000 -191.98014 -184.65991 7.32023 2.25825 -186.27731 583.16577
4860.0000 -192.23599 -186.15772 6.07827 2.32700 -185.03312 649.03432
4865.0000 -191.06496 -185.28439 5.78057 2.27639 -185.94905 632.87276
4870.0000 -191.22461 -185.96685 5.25776 2.30460 -185.43840 631.97181
4875.0000 -192.66628 -185.88491 6.78136 2.28476 -185.79759 608.41704
4880.0000 -193.10072 -187.17108 5.92964 2.22635 -186.85483 563.28049
4885.0000 -191.05155 -184.79291 6.25864 2.25517 -186.33313 588.02806
4890.0000 -192.14378 -184.75508 7.38870 2.33995 -184.79864 652.25244
4895.0000 -191.99850 -186.40567 5.59283 2.28478 -185.79717 616.50431
4900.0000 -193.58098 -187.91510 5.66588 2.21886 -186.99034 573.95074
4905.0000 -192.99703 -186.57715 6.41988 2.21133 -187.12668 567.54879
4910.0000 -192.05147 -185.27875 6.77272 2.28134 -185.85951 612.27143
4915.0000 -192.18373 -186.37507 5.80866 2.29699 -185.57614 630.61811
4920.0000 -192.48772 -186.65814 5.82958 2.28088 -185.86776 642.96683
4925.0000 -193.02644 -186.85085 6.17559 2.23681 -186.66538 606.57857
4930.0000 -192.81738 -186.38296 6.43442 2.22485 -186.88185 586.25688
4935.0000 -192.11924 -185.85157 6.26766 2.25985 -186.24848 617.01635
4940.0000 -191.34657 -185.66273 5.68384 2.26762 -186.10780 613.80013
4945.0000 -193.24064 -187.79809 5.44255 2.23260 -186.74165 575.87029
4950.0000 -191.98043 -185.40966 6.57077 2.27797 -185.92044 606.64867
4955.0000 -192.04453 -185.57541 6.46912 2.26435 -186.16699 592.93168
4960.0000 -192.65379 -185.34635 7.30743 2.26341 -186.18405 603.55856
4965.0000 -191.07694 -184.97542 6.10152 2.33681 -184.85557 648.56469
4970.0000 -192.41542 -186.70649 5.70893 2.30548 -185.42263 644.25420
4975.0000 -192.12096 -186.18452 5.93644 2.24660 -186.48832 583.79487
4980.0000 -191.35920 -185.13877 6.22043 2.26234 -186.20344 606.92321
4985.0000 -191.78253 -185.01350 6.76903 2.29453 -185.62075 621.05728
4990.0000 -190.97282 -184.76800 6.20482 2.31913 -185.17544 641.76791
4995.0000 -192.40450 -187.06699 5.33752 2.24602 -186.49877 595.23283
5000.0000 -192.91779 -187.30121 5.61659 2.19889 -187.35178 552.01098
FREEZING PROCESS: loop number 21 T-loop= 581.00000000000000
main_MD> interactions number 21 at Temperature= 581.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79867 0.00424 0.44151
force_rgl> df(natom) -1.62579 -2.46056 0.55589
5005.0000 -193.62554 -187.66345 5.96210 2.17646 -187.75776 554.86398
5010.0000 -193.50284 -188.73955 4.76330 2.14376 -188.34949 540.86829
5015.0000 -192.68980 -187.54233 5.14747 2.15945 -188.06556 537.82722
5020.0000 -192.53410 -187.23620 5.29790 2.21893 -186.98898 575.80210
5025.0000 -193.17881 -187.51015 5.66865 2.21443 -187.07057 569.11698
5030.0000 -192.30742 -187.08512 5.22230 2.20729 -187.19973 570.01156
5035.0000 -192.78544 -186.86757 5.91787 2.21122 -187.12861 580.68768
5040.0000 -193.02518 -187.77801 5.24717 2.19728 -187.38082 561.02971
5045.0000 -191.40372 -186.09830 5.30543 2.21417 -187.07519 566.79196
5050.0000 -193.20817 -187.64766 5.56052 2.22430 -186.89190 566.22082
5055.0000 -192.74416 -187.17151 5.57265 2.20312 -187.27526 567.29220
5060.0000 -194.13818 -189.56326 4.57493 2.18317 -187.63623 561.12745
5065.0000 -192.86460 -187.11613 5.74847 2.13664 -188.47847 525.11556
5070.0000 -192.85753 -187.78126 5.07627 2.19309 -187.45669 568.00748
5075.0000 -193.75958 -188.36606 5.39352 2.20053 -187.32216 587.57676
5080.0000 -193.43712 -187.74001 5.69710 2.19719 -187.38254 579.70963
5085.0000 -193.56445 -188.19574 5.36870 2.17992 -187.69513 580.02468
5090.0000 -193.62938 -188.41892 5.21047 2.12993 -188.59979 570.24859
5095.0000 -194.16897 -188.55505 5.61393 2.12210 -188.74154 556.15732
5100.0000 -194.34715 -188.34808 5.99907 2.12413 -188.70493 552.85204
5105.0000 -192.66361 -187.12161 5.54200 2.16878 -187.89679 587.41616
5110.0000 -193.26081 -188.29351 4.96731 2.17045 -187.86641 574.86840
5115.0000 -192.64484 -186.97860 5.66624 2.18694 -187.56810 585.74380
5120.0000 -192.15642 -186.48130 5.67512 2.21397 -187.07873 566.38294
5125.0000 -193.56553 -187.68871 5.87682 2.23954 -186.61597 591.88693
5130.0000 -193.64377 -187.42743 6.21634 2.19888 -187.35189 549.52208
5135.0000 -192.56599 -187.32475 5.24123 2.20521 -187.23728 557.75825
5140.0000 -191.56234 -186.36425 5.19809 2.22912 -186.80452 572.80208
5145.0000 -192.99795 -186.94966 6.04829 2.27063 -186.05332 612.25104
5150.0000 -192.23022 -186.69847 5.53175 2.22759 -186.83222 585.26171
5155.0000 -191.86239 -186.51239 5.35000 2.25045 -186.41856 587.19838
5160.0000 -193.21839 -186.40579 6.81261 2.23860 -186.63304 586.01282
5165.0000 -192.78564 -186.49912 6.28653 2.26152 -186.21821 615.36761
5170.0000 -192.95944 -187.67174 5.28769 2.20129 -187.30830 580.79087
5175.0000 -194.65170 -187.81254 6.83915 2.19396 -187.44094 567.95575
5180.0000 -193.75164 -187.83270 5.91894 2.16665 -187.93529 594.68118
5185.0000 -193.58133 -187.46930 6.11203 2.17267 -187.82632 584.56664
5190.0000 -194.16492 -188.66896 5.49596 2.15451 -188.15503 556.02124
5195.0000 -194.26523 -189.58184 4.68339 2.09663 -189.20253 515.35392
5200.0000 -194.17225 -188.89469 5.27756 2.12471 -188.69441 555.07093
5205.0000 -194.73889 -189.33642 5.40247 2.12340 -188.71801 532.00653
5210.0000 -193.41301 -187.52985 5.88315 2.15913 -188.07144 558.84124
5215.0000 -192.75322 -187.90080 4.85242 2.18523 -187.59906 561.52511
5220.0000 -192.38649 -185.84660 6.53989 2.21592 -187.04354 571.67694
5225.0000 -192.46984 -185.90764 6.56220 2.27901 -185.90173 616.03199
5230.0000 -192.44684 -187.51981 4.92703 2.27178 -186.03253 627.64194
5235.0000 -193.17521 -186.91603 6.25918 2.19936 -187.34316 567.55022
5240.0000 -193.47825 -187.54212 5.93614 2.18869 -187.53632 559.63943
5245.0000 -192.53987 -187.21778 5.32209 2.20081 -187.31699 573.14772
5250.0000 -192.52647 -186.59764 5.92884 2.22316 -186.91240 581.45069
FREEZING PROCESS: loop number 22 T-loop= 556.00000000000000
main_MD> interactions number 22 at Temperature= 556.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.76818 -4.25202 -0.96806
force_rgl> df(natom) 2.70575 1.85752 -3.43888
5255.0000 -192.48550 -186.69611 5.78940 2.24075 -186.59406 588.35601
5260.0000 -193.21531 -188.00451 5.21080 2.21382 -187.08149 575.49066
5265.0000 -193.58043 -187.74995 5.83048 2.14727 -188.28607 535.53176
5270.0000 -193.63350 -186.86517 6.76832 2.20554 -187.23133 560.57669
5275.0000 -193.15218 -188.31703 4.83515 2.18626 -187.58026 549.76396
5280.0000 -194.10486 -188.59947 5.50539 2.15392 -188.16560 550.75215
5285.0000 -193.08567 -188.21148 4.87419 2.15759 -188.09933 565.09794
5290.0000 -193.21446 -187.63338 5.58107 2.20690 -187.20674 606.24093
5295.0000 -193.44240 -187.69930 5.74310 2.17225 -187.83386 570.34181
5300.0000 -193.47699 -188.72804 4.74895 2.15405 -188.16334 551.55032
5305.0000 -193.84541 -187.83191 6.01351 2.15010 -188.23487 550.39991
5310.0000 -192.33122 -187.06206 5.26916 2.19956 -187.33965 589.66267
5315.0000 -193.47790 -186.96479 6.51311 2.21451 -187.06898 587.04481
5320.0000 -192.86486 -187.16493 5.69993 2.20564 -187.22958 586.13815
5325.0000 -193.35203 -187.30067 6.05137 2.19514 -187.41965 575.54552
5330.0000 -192.29863 -186.80359 5.49504 2.22510 -186.87735 590.37911
5335.0000 -193.18698 -187.27464 5.91234 2.23643 -186.67231 610.99184
5340.0000 -193.09596 -186.82765 6.26831 2.22221 -186.92961 574.09209
5345.0000 -192.81773 -187.18575 5.63198 2.21878 -186.99181 570.07740
5350.0000 -193.09553 -187.59237 5.50316 2.20999 -187.15092 580.98124
5355.0000 -193.28107 -188.46325 4.81782 2.13480 -188.51169 507.95727
5360.0000 -193.94225 -187.80651 6.13574 2.17866 -187.71783 558.68528
5365.0000 -193.21519 -188.06604 5.14915 2.16677 -187.93302 534.26871
5370.0000 -193.25939 -188.04011 5.21928 2.17144 -187.84855 558.61453
5375.0000 -193.16364 -186.90127 6.26237 2.20605 -187.22208 565.92949
5380.0000 -193.26601 -186.75965 6.50636 2.23777 -186.64803 600.65574
5385.0000 -193.51955 -187.95081 5.56874 2.17405 -187.80128 558.65592
5390.0000 -193.91130 -188.93256 4.97874 2.13623 -188.48592 534.90314
5395.0000 -193.92672 -187.86666 6.06005 2.13413 -188.52379 515.81510
5400.0000 -192.96231 -187.11320 5.84911 2.18263 -187.64612 555.23569
5405.0000 -193.66971 -188.49811 5.17160 2.17684 -187.75077 554.23804
5410.0000 -193.05212 -187.98663 5.06549 2.13258 -188.55184 515.66636
5415.0000 -192.92896 -187.50341 5.42554 2.16765 -187.91718 527.83485
5420.0000 -193.10709 -188.37663 4.73046 2.19239 -187.46931 553.83855
5425.0000 -194.01037 -188.34605 5.66433 2.15248 -188.19177 528.36873
5430.0000 -193.97812 -188.90776 5.07036 2.14402 -188.34485 531.16887
5435.0000 -194.52846 -188.32038 6.20808 2.12612 -188.66890 506.45597
5440.0000 -193.95971 -188.39230 5.56741 2.13455 -188.51632 542.93027
5445.0000 -194.01591 -188.06610 5.94981 2.14100 -188.39954 554.20866
5450.0000 -193.19568 -187.91837 5.27731 2.16055 -188.04564 579.20445
5455.0000 -194.30478 -188.84996 5.45482 2.17196 -187.83923 575.75261
5460.0000 -193.88896 -187.64392 6.24504 2.13615 -188.48731 558.50163
5465.0000 -193.70139 -188.53815 5.16324 2.15640 -188.12071 579.91530
5470.0000 -195.17582 -189.11905 6.05677 2.09281 -189.27180 542.87558
5475.0000 -194.77159 -189.69519 5.07640 2.07080 -189.67011 525.83527
5480.0000 -193.24775 -187.22996 6.01780 2.12060 -188.76881 555.12539
5485.0000 -192.72419 -187.95025 4.77394 2.17566 -187.77222 580.61504
5490.0000 -193.43214 -188.37466 5.05748 2.13182 -188.56575 543.60869
5495.0000 -193.46605 -187.89408 5.57197 2.12522 -188.68512 548.11870
5500.0000 -193.85801 -188.97262 4.88539 2.14974 -188.24131 550.53869
FREEZING PROCESS: loop number 23 T-loop= 531.00000000000000
main_MD> interactions number 23 at Temperature= 531.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66582 -0.43086 1.00465
force_rgl> df(natom) -1.06754 -3.47064 2.65786
5505.0000 -193.66377 -188.72507 4.93870 2.14829 -188.26752 536.10602
5510.0000 -193.92942 -188.41303 5.51639 2.13209 -188.56080 517.07114
5515.0000 -193.70263 -187.85467 5.84796 2.14963 -188.24338 547.82413
5520.0000 -193.85184 -188.77894 5.07290 2.13370 -188.53167 550.19407
5525.0000 -194.40831 -188.46897 5.93934 2.14304 -188.36267 551.81036
5530.0000 -193.92430 -189.10546 4.81884 2.11997 -188.78010 537.35836
5535.0000 -193.98344 -188.90002 5.08342 2.11036 -188.95401 532.66994
5540.0000 -194.44307 -188.76354 5.67953 2.12652 -188.66154 552.58818
5545.0000 -194.33587 -188.10640 6.22947 2.13431 -188.52063 542.40233
5550.0000 -193.95368 -188.38866 5.56502 2.16278 -188.00537 570.38501
5555.0000 -194.10171 -189.46825 4.63346 2.11095 -188.94341 534.40297
5560.0000 -194.19451 -189.44285 4.75167 2.09525 -189.22751 529.13590
5565.0000 -195.24027 -189.35848 5.88179 2.09359 -189.25766 536.59733
5570.0000 -194.59819 -189.41644 5.18175 2.07383 -189.61515 510.69684
5575.0000 -194.68445 -189.71988 4.96457 2.08276 -189.45355 525.11867
5580.0000 -193.82878 -188.65743 5.17135 2.10872 -188.98368 538.41776
5585.0000 -194.73535 -189.56713 5.16822 2.11158 -188.93198 547.94112
5590.0000 -194.52709 -188.84624 5.68085 2.07657 -189.56569 517.95741
5595.0000 -194.53901 -189.87504 4.66397 2.10392 -189.07067 551.15634
5600.0000 -195.12365 -189.49115 5.63250 2.08204 -189.46662 529.10668
5605.0000 -194.95529 -190.00058 4.95471 2.05640 -189.93069 511.14650
5610.0000 -194.87030 -189.92177 4.94853 2.05552 -189.94661 512.45071
5615.0000 -195.15931 -189.21096 5.94835 2.08001 -189.50332 536.42570
5620.0000 -193.70976 -188.78110 4.92866 2.12554 -188.67937 562.42587
5625.0000 -194.37908 -189.12290 5.25618 2.10741 -189.00753 514.81245
5630.0000 -194.55385 -189.40012 5.15373 2.05896 -189.88438 489.80203
5635.0000 -193.41272 -187.92992 5.48279 2.12877 -188.62081 544.07605
5640.0000 -194.83887 -189.94847 4.89040 2.08363 -189.43789 529.25671
5645.0000 -194.60471 -189.92066 4.68405 2.03504 -190.31740 482.93726
5650.0000 -194.34706 -190.10968 4.23739 2.05421 -189.97033 505.60182
5655.0000 -193.72808 -189.13915 4.58893 2.07424 -189.60786 500.58306
5660.0000 -195.10219 -189.24000 5.86219 2.10042 -189.13405 537.55597
5665.0000 -192.99720 -187.93559 5.06160 2.12354 -188.71548 543.73392
5670.0000 -192.51883 -187.30688 5.21195 2.17970 -187.69909 569.32686
5675.0000 -193.50834 -188.40013 5.10821 2.18076 -187.67986 561.20334
5680.0000 -193.56562 -188.58478 4.98084 2.12647 -188.66252 535.22784
5685.0000 -194.34266 -189.33315 5.00951 2.09656 -189.20380 508.37077
5690.0000 -194.27774 -189.15977 5.11797 2.09708 -189.19435 506.07736
5695.0000 -192.15542 -187.44095 4.71447 2.15100 -188.21844 540.17966
5700.0000 -192.93380 -187.21549 5.71832 2.17346 -187.81202 558.91708
5705.0000 -193.36816 -188.09073 5.27743 2.18369 -187.62689 550.69337
5710.0000 -193.73664 -188.24119 5.49546 2.09954 -189.14992 482.45238
5715.0000 -193.16394 -188.02176 5.14218 2.17362 -187.80915 514.36202
5720.0000 -192.78826 -187.82696 4.96129 2.16784 -187.91379 537.58563
5725.0000 -192.14823 -187.87253 4.27570 2.18671 -187.57225 528.32574
5730.0000 -193.85142 -187.90062 5.95080 2.16761 -187.91795 518.50825
5735.0000 -193.33980 -187.80341 5.53638 2.18406 -187.62020 549.05274
5740.0000 -193.64471 -188.71152 4.93319 2.11564 -188.85846 506.89245
5745.0000 -193.94008 -189.11656 4.82353 2.14461 -188.33413 536.93242
5750.0000 -193.04225 -188.00921 5.03304 2.11393 -188.88938 498.32609
FREEZING PROCESS: loop number 24 T-loop= 506.00000000000000
main_MD> interactions number 24 at Temperature= 506.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11733 -1.57950 0.33974
force_rgl> df(natom) -1.64509 -1.01853 1.81121
5755.0000 -193.28018 -188.16983 5.11035 2.16489 -187.96708 542.68996
5760.0000 -195.07477 -189.96623 5.10854 2.11776 -188.82017 500.00607
5765.0000 -193.68784 -188.20174 5.48610 2.07526 -189.58930 489.51990
5770.0000 -193.42172 -188.15315 5.26857 2.15936 -188.06720 557.59231
5775.0000 -194.17546 -187.62240 6.55306 2.15891 -188.07536 527.24146
5780.0000 -194.03963 -188.90778 5.13185 2.16168 -188.02531 547.79376
5785.0000 -195.23689 -190.31045 4.92644 2.08435 -189.42477 480.29361
5790.0000 -194.91085 -188.87244 6.03842 2.11854 -188.80599 512.90587
5795.0000 -193.61166 -188.87190 4.73975 2.11817 -188.81264 510.97044
5800.0000 -193.09510 -187.09294 6.00216 2.14453 -188.33570 517.54216
5805.0000 -193.18471 -187.96881 5.21590 2.18783 -187.55186 548.74250
5810.0000 -194.59447 -189.50029 5.09418 2.14413 -188.34279 531.69226
5815.0000 -192.63728 -186.82180 5.81548 2.14235 -188.37500 533.76414
5820.0000 -192.92539 -188.13776 4.78762 2.17917 -187.70869 552.94324
5825.0000 -194.08139 -187.97362 6.10777 2.15521 -188.14226 538.31461
5830.0000 -193.03490 -188.06624 4.96866 2.18268 -187.64507 543.22542
5835.0000 -192.65074 -188.31227 4.33847 2.19593 -187.40539 546.42316
5840.0000 -193.52648 -188.25276 5.27372 2.16121 -188.03381 524.87479
5845.0000 -193.85594 -188.59215 5.26379 2.14646 -188.30076 521.60217
5850.0000 -193.66552 -188.73467 4.93085 2.11992 -188.78100 513.63491
5855.0000 -194.97510 -189.61473 5.36037 2.09448 -189.24151 477.17435
5860.0000 -194.54134 -189.33993 5.20141 2.10467 -189.05708 515.42016
5865.0000 -195.18079 -189.58101 5.59978 2.10538 -189.04415 524.41797
5870.0000 -194.47318 -188.55716 5.91603 2.10952 -188.96926 535.33395
5875.0000 -194.74592 -189.36942 5.37650 2.10698 -189.01525 538.91910
5880.0000 -194.86059 -189.57590 5.28469 2.08473 -189.41802 530.54680
5885.0000 -194.07537 -188.84850 5.22687 2.10893 -188.97996 541.07646
5890.0000 -194.32711 -190.16514 4.16196 2.04910 -190.06288 492.52962
5895.0000 -195.12583 -190.16788 4.95795 2.04534 -190.13081 494.32395
5900.0000 -193.78698 -188.48241 5.30457 2.07360 -189.61948 510.05894
5905.0000 -194.65236 -189.78416 4.86820 2.10779 -189.00052 527.82033
5910.0000 -195.31886 -191.44239 3.87647 2.03681 -190.28527 490.38890
5915.0000 -196.18062 -191.47921 4.70141 1.99019 -191.12912 460.53407
5920.0000 -195.92566 -191.00526 4.92040 2.00649 -190.83407 472.82298
5925.0000 -196.60947 -190.88264 5.72683 1.97542 -191.39637 453.61796
5930.0000 -195.28196 -191.04968 4.23228 2.00890 -190.79039 477.43036
5935.0000 -194.64845 -190.55184 4.09660 2.02208 -190.55193 475.17474
5940.0000 -194.68044 -189.99232 4.68812 2.05831 -189.89608 490.93930
5945.0000 -195.28559 -190.35774 4.92785 2.03396 -190.33683 482.64421
5950.0000 -195.05571 -189.71891 5.33681 2.07227 -189.64352 518.98294
5955.0000 -195.04800 -189.70091 5.34710 2.08124 -189.48115 515.57145
5960.0000 -194.88148 -189.57234 5.30914 2.08154 -189.47563 526.55041
5965.0000 -193.97867 -188.47950 5.49916 2.08565 -189.40137 527.48277
5970.0000 -194.96410 -189.23584 5.72826 2.09178 -189.29042 516.83234
5975.0000 -195.22627 -189.70783 5.51844 2.08317 -189.44611 510.28256
5980.0000 -194.39872 -189.93496 4.46376 2.10412 -189.06702 535.05735
5985.0000 -195.33499 -189.85333 5.48166 2.06009 -189.86397 507.08923
5990.0000 -195.46585 -190.12470 5.34115 2.05593 -189.93925 499.42121
5995.0000 -194.98381 -190.35218 4.63162 2.04531 -190.13143 493.60511
6000.0000 -194.64596 -190.05711 4.58885 2.02286 -190.53781 459.10525
FREEZING PROCESS: loop number 25 T-loop= 481.00000000000000
main_MD> interactions number 25 at Temperature= 481.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71428 -0.49258 1.53400
force_rgl> df(natom) -0.04368 -1.42809 -2.02887
6005.0000 -195.71177 -191.59670 4.11508 2.02325 -190.53072 483.85724
6010.0000 -195.86388 -191.68888 4.17500 1.96363 -191.60974 439.48037
6015.0000 -196.42900 -192.30759 4.12142 1.94247 -191.99285 417.28133
6020.0000 -196.41641 -191.45067 4.96575 1.95516 -191.76299 434.83749
6025.0000 -194.44370 -189.57102 4.87268 2.04570 -190.12442 488.30240
6030.0000 -195.13915 -189.55528 5.58387 2.05710 -189.91805 492.44270
6035.0000 -194.90439 -190.84279 4.06160 2.03248 -190.36369 466.68614
6040.0000 -194.22255 -189.91634 4.30621 2.01957 -190.59732 450.47282
6045.0000 -194.37956 -190.18127 4.19830 2.06744 -189.73092 500.18709
6050.0000 -195.34151 -189.85131 5.49020 2.06276 -189.81558 501.10433
6055.0000 -194.33115 -188.96334 5.36780 2.10084 -189.12633 522.57216
6060.0000 -194.32075 -189.85892 4.46183 2.09361 -189.25724 513.73046
6065.0000 -195.43397 -190.92234 4.51163 2.02186 -190.55579 465.14728
6070.0000 -195.06260 -191.93960 3.12300 1.97320 -191.43659 430.95608
6075.0000 -195.11863 -190.95460 4.16403 1.97665 -191.37409 433.62216
6080.0000 -195.31385 -190.60349 4.71037 1.99861 -190.97669 462.99430
6085.0000 -195.69793 -190.71046 4.98747 1.99872 -190.97473 448.12310
6090.0000 -195.65845 -190.52235 5.13610 2.01207 -190.73313 458.37780
6095.0000 -195.43891 -190.78314 4.65577 2.01046 -190.76214 454.35774
6100.0000 -195.10912 -189.64998 5.45915 2.06602 -189.75654 517.13936
6105.0000 -194.56988 -190.34112 4.22876 2.03511 -190.31605 473.33232
6110.0000 -195.80236 -190.72978 5.07258 2.02646 -190.47253 470.82540
6115.0000 -194.92900 -189.86703 5.06197 2.04567 -190.12485 494.54484
6120.0000 -194.78498 -190.38884 4.39614 2.03675 -190.28632 476.03743
6125.0000 -195.13136 -189.92808 5.20328 2.03074 -190.39512 490.85903
6130.0000 -195.94741 -190.78719 5.16022 2.03992 -190.22898 504.78679
6135.0000 -196.06337 -191.63017 4.43319 1.99879 -190.97345 473.50639
6140.0000 -195.65116 -190.96842 4.68273 1.96903 -191.51205 446.37451
6145.0000 -194.53462 -190.25548 4.27915 2.00009 -190.94993 453.46353
6150.0000 -194.84029 -190.86302 3.97728 2.03470 -190.32344 475.05737
6155.0000 -195.52573 -190.74629 4.77943 2.00121 -190.92960 453.90348
6160.0000 -195.54552 -190.94588 4.59965 1.99416 -191.05721 443.40951
6165.0000 -196.02784 -191.85091 4.17693 1.97399 -191.42222 446.56938
6170.0000 -195.33208 -190.47723 4.85485 1.99674 -191.01043 464.62484
6175.0000 -195.58362 -191.17511 4.40851 1.97745 -191.35964 448.59733
6180.0000 -195.73358 -191.16944 4.56415 1.97530 -191.39858 445.56692
6185.0000 -195.09975 -190.64550 4.45425 2.00906 -190.78749 468.58279
6190.0000 -195.62362 -190.95378 4.66984 2.02120 -190.56780 480.40873
6195.0000 -195.82916 -191.67000 4.15916 1.95601 -191.74775 430.18736
6200.0000 -196.07136 -191.21230 4.85907 1.97773 -191.35451 450.91571
6205.0000 -195.72579 -190.97220 4.75359 1.98527 -191.21807 462.63462
6210.0000 -195.78922 -190.52357 5.26565 2.00561 -190.84993 476.87627
6215.0000 -195.32584 -190.42553 4.90031 2.05039 -190.03958 503.20750
6220.0000 -195.49956 -190.31577 5.18379 2.04578 -190.12291 515.33011
6225.0000 -195.97583 -191.44040 4.53543 1.98997 -191.13313 461.03712
6230.0000 -195.58017 -191.03916 4.54100 1.99320 -191.07457 475.46308
6235.0000 -195.92623 -191.57670 4.34954 1.98429 -191.23580 458.12812
6240.0000 -195.70887 -190.92039 4.78848 2.00089 -190.93542 468.88707
6245.0000 -195.11641 -189.94119 5.17522 2.02254 -190.54352 484.87245
6250.0000 -196.14191 -191.43134 4.71057 2.01299 -190.71647 463.97563
FREEZING PROCESS: loop number 26 T-loop= 456.00000000000000
main_MD> interactions number 26 at Temperature= 456.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.11149 -2.13504 -1.87967
force_rgl> df(natom) 1.53408 -1.65349 -0.04979
6255.0000 -195.32528 -190.62070 4.70458 1.97045 -191.48635 422.16305
6260.0000 -195.76065 -191.82703 3.93362 1.96603 -191.56641 419.50320
6265.0000 -196.08869 -191.42968 4.65900 1.96188 -191.64141 431.85968
6270.0000 -195.23204 -190.57831 4.65373 2.00506 -190.85993 468.05880
6275.0000 -195.22599 -190.70732 4.51868 2.03479 -190.32176 490.85948
6280.0000 -195.65996 -190.74727 4.91269 2.02110 -190.56962 465.98350
6285.0000 -195.24867 -190.43537 4.81330 2.01099 -190.75260 435.95277
6290.0000 -195.13020 -190.48096 4.64923 2.05421 -189.97033 464.56730
6295.0000 -195.16668 -190.62240 4.54428 2.02564 -190.48750 441.99101
6300.0000 -194.51273 -190.39112 4.12161 2.03101 -190.39017 449.11239
6305.0000 -195.34425 -191.58560 3.75866 2.01208 -190.73283 438.03437
6310.0000 -195.27324 -190.65282 4.62042 1.99974 -190.95630 442.25930
6315.0000 -196.06450 -191.29827 4.76623 1.99319 -191.07478 431.06303
6320.0000 -195.33306 -191.16162 4.17144 1.99510 -191.04022 432.05905
6325.0000 -194.66410 -190.59653 4.06757 1.99174 -191.10098 413.62211
6330.0000 -195.08563 -190.83396 4.25167 2.03173 -190.37729 443.17794
6335.0000 -195.04999 -190.18670 4.86329 2.02232 -190.54755 458.21340
6340.0000 -194.90662 -189.73880 5.16782 2.06815 -189.71804 513.34711
6345.0000 -195.17072 -190.87293 4.29779 2.05792 -189.90319 473.29332
6350.0000 -195.57430 -191.45920 4.11510 2.00135 -190.92702 419.60293
6355.0000 -194.64186 -189.62964 5.01222 2.03317 -190.35117 451.97312
6360.0000 -194.27583 -190.22777 4.04806 2.04499 -190.13722 469.75108
6365.0000 -194.42550 -189.84971 4.57580 2.04892 -190.06610 462.85116
6370.0000 -194.84386 -190.08450 4.75936 2.05801 -189.90158 484.17019
6375.0000 -194.34285 -189.87501 4.46784 2.03633 -190.29387 458.93893
6380.0000 -195.29266 -190.45371 4.83894 2.04862 -190.07161 468.12690
6385.0000 -195.12103 -190.70890 4.41212 2.01377 -190.70233 431.63078
6390.0000 -194.67120 -190.19989 4.47131 2.01991 -190.59109 448.77248
6395.0000 -194.53602 -188.96407 5.57195 2.07499 -189.59430 488.63114
6400.0000 -195.02168 -190.26007 4.76161 2.08163 -189.47407 507.02736
6405.0000 -195.03056 -190.20694 4.82361 2.05512 -189.95385 491.32260
6410.0000 -195.27454 -190.72612 4.54842 2.00155 -190.92338 445.46752
6415.0000 -195.29055 -190.40907 4.88148 2.01731 -190.63818 459.92591
6420.0000 -195.03335 -189.60562 5.42772 2.05585 -189.94067 476.45120
6425.0000 -194.68542 -190.61398 4.07144 2.02361 -190.52422 443.75140
6430.0000 -194.82611 -190.19357 4.63254 2.03868 -190.25141 446.58056
6435.0000 -194.11344 -189.64664 4.46680 2.05421 -189.97034 472.72638
6440.0000 -194.25756 -189.37529 4.88226 2.08534 -189.40685 486.53269
6445.0000 -194.43612 -190.05651 4.37961 2.06930 -189.69728 453.78077
6450.0000 -194.16034 -189.79539 4.36495 2.06225 -189.82482 454.16214
6455.0000 -193.94863 -189.71118 4.23745 2.07422 -189.60816 467.15258
6460.0000 -195.56142 -190.55466 5.00676 2.01293 -190.71754 446.77657
6465.0000 -195.67548 -190.62302 5.05246 2.01827 -190.62082 444.60279
6470.0000 -195.57890 -190.62127 4.95763 2.01536 -190.67342 453.37576
6475.0000 -195.58382 -190.99397 4.58985 2.02175 -190.55783 456.66587
6480.0000 -195.75815 -191.39356 4.36459 1.96981 -191.49798 426.66143
6485.0000 -196.16796 -191.72773 4.44022 1.97001 -191.49432 429.53160
6490.0000 -195.10685 -190.78406 4.32279 1.97966 -191.31958 436.63117
6495.0000 -196.20366 -192.05772 4.14594 1.97619 -191.38237 425.83728
6500.0000 -195.17350 -190.20078 4.97272 1.99244 -191.08828 444.14041
FREEZING PROCESS: loop number 27 T-loop= 431.00000000000000
main_MD> interactions number 27 at Temperature= 431.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.19167 1.20789 4.25013
force_rgl> df(natom) -2.28724 1.08349 -0.21109
6505.0000 -195.62054 -191.22704 4.39350 1.98726 -191.18217 440.55515
6510.0000 -195.87440 -191.70643 4.16797 1.97528 -191.39888 427.04741
6515.0000 -195.76998 -190.79607 4.97391 1.98092 -191.29687 435.55295
6520.0000 -196.29529 -191.66608 4.62921 1.98581 -191.20831 437.39686
6525.0000 -195.44412 -191.19136 4.25276 1.95687 -191.73215 419.87645
6530.0000 -195.71157 -191.28293 4.42864 1.98317 -191.25607 427.24123
6535.0000 -195.89373 -191.04346 4.85028 1.97737 -191.36101 434.99759
6540.0000 -195.52767 -191.47638 4.05129 1.97968 -191.31934 429.06716
6545.0000 -195.22854 -190.34379 4.88475 1.98807 -191.16749 419.41588
6550.0000 -195.36856 -190.72305 4.64551 2.03027 -190.40373 454.08608
6555.0000 -195.23469 -189.69254 5.54215 2.02096 -190.57221 460.82186
6560.0000 -195.20845 -190.65741 4.55104 2.03027 -190.40361 475.28612
6565.0000 -194.99155 -191.04886 3.94269 2.00815 -190.80400 468.52655
6570.0000 -195.70710 -191.25657 4.45053 1.99396 -191.06084 460.14362
6575.0000 -195.94672 -192.20631 3.74040 1.97566 -191.39199 437.50868
6580.0000 -195.88203 -191.29735 4.58468 1.95136 -191.83194 426.44236
6585.0000 -195.89428 -191.95274 3.94154 1.99444 -191.05219 466.71587
6590.0000 -196.32406 -192.47737 3.84669 1.92323 -192.34096 408.06001
6595.0000 -196.33633 -192.71620 3.62013 1.93526 -192.12332 423.23579
6600.0000 -196.24957 -192.12504 4.12453 1.91188 -192.54643 401.13976
6605.0000 -196.40791 -192.10206 4.30585 1.93979 -192.04128 434.44778
6610.0000 -196.69167 -192.00086 4.69082 1.94982 -191.85966 449.84314
6615.0000 -195.93246 -191.74454 4.18791 1.95672 -191.73491 446.88528
6620.0000 -197.12541 -192.56687 4.55853 1.93388 -192.14825 438.22559
6625.0000 -195.82831 -191.87203 3.95629 1.94182 -192.00454 437.78229
6630.0000 -195.53336 -191.75669 3.77667 1.94264 -191.98959 428.18613
6635.0000 -195.97981 -191.40053 4.57928 1.95552 -191.75650 439.65053
6640.0000 -196.81195 -192.05261 4.75934 1.92512 -192.30686 419.52769
6645.0000 -197.06893 -192.37362 4.69532 1.95254 -191.81041 449.82001
6650.0000 -195.99788 -192.16013 3.83774 1.92265 -192.35153 431.03448
6655.0000 -197.00528 -192.73310 4.27218 1.92323 -192.34105 424.58301
6660.0000 -197.01519 -192.92579 4.08940 1.90407 -192.68777 406.42808
6665.0000 -196.63810 -192.58249 4.05561 1.91769 -192.44126 426.04872
6670.0000 -195.85096 -191.64783 4.20313 1.93657 -192.09957 437.39656
6675.0000 -195.77664 -190.31186 5.46479 1.99058 -191.12209 475.83277
6680.0000 -196.24794 -191.75765 4.49029 1.97291 -191.44174 463.45898
6685.0000 -196.81700 -192.71334 4.10366 1.91409 -192.50634 414.86094
6690.0000 -196.52308 -191.83933 4.68375 1.91991 -192.40116 421.90616
6695.0000 -196.50818 -191.76299 4.74520 1.95051 -191.84727 444.76250
6700.0000 -196.69551 -192.74837 3.94714 1.91854 -192.42586 418.54140
6705.0000 -196.69143 -192.71110 3.98033 1.90639 -192.64572 409.73332
6710.0000 -197.37475 -192.74856 4.62618 1.89839 -192.79053 407.36955
6715.0000 -197.34577 -193.34711 3.99866 1.91029 -192.57511 411.71373
6720.0000 -196.74913 -192.76119 3.98795 1.87761 -193.16665 382.78571
6725.0000 -196.31486 -191.75960 4.55525 1.95129 -191.83309 445.90809
6730.0000 -196.53291 -192.12293 4.40998 1.95957 -191.68320 448.20476
6735.0000 -196.01398 -191.97515 4.03883 1.93131 -192.19471 417.22975
6740.0000 -196.59746 -192.82965 3.76781 1.91636 -192.46526 413.87538
6745.0000 -196.44805 -192.41002 4.03804 1.92458 -192.31656 423.03083
6750.0000 -196.31488 -192.14357 4.17132 1.91991 -192.40101 417.05793
FREEZING PROCESS: loop number 28 T-loop= 406.00000000000000
main_MD> interactions number 28 at Temperature= 406.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58709 0.53740 -1.61768
force_rgl> df(natom) 3.71215 1.71652 -1.06279
6755.0000 -196.80626 -192.97742 3.82885 1.90069 -192.74903 408.84918
6760.0000 -196.69997 -192.90180 3.79817 1.90603 -192.65225 401.51238
6765.0000 -195.69255 -191.88969 3.80286 1.91326 -192.52138 415.33783
6770.0000 -196.68073 -192.18474 4.49599 1.92724 -192.26838 421.39008
6775.0000 -197.26705 -192.56229 4.70477 1.93474 -192.13260 434.15016
6780.0000 -197.21010 -193.32648 3.88362 1.91763 -192.44241 423.61738
6785.0000 -197.35587 -192.89863 4.45725 1.86621 -193.37301 378.53018
6790.0000 -196.77542 -192.44184 4.33358 1.91121 -192.55850 410.22580
6795.0000 -196.60871 -192.72071 3.88800 1.91862 -192.42435 406.81018
6800.0000 -196.71767 -192.64013 4.07753 1.90290 -192.70901 394.10414
6805.0000 -196.99383 -193.14634 3.84749 1.89373 -192.87485 390.15686
6810.0000 -196.85647 -193.48777 3.36871 1.87321 -193.24632 376.27070
6815.0000 -196.84080 -193.25561 3.58519 1.88880 -192.96423 390.27328
6820.0000 -196.26440 -192.05548 4.20893 1.89168 -192.91204 393.54186
6825.0000 -196.30784 -191.44952 4.85832 1.92253 -192.35367 417.01318
6830.0000 -196.59967 -192.32154 4.27813 1.93527 -192.12302 430.84879
6835.0000 -196.17512 -191.56338 4.61174 1.94448 -191.95644 437.92366
6840.0000 -196.43982 -192.32917 4.11065 1.92268 -192.35088 415.58015
6845.0000 -197.10881 -193.64657 3.46225 1.88866 -192.96675 395.09260
6850.0000 -196.59140 -192.13255 4.45884 1.89182 -192.90946 404.56435
6855.0000 -196.62730 -192.92768 3.69962 1.91395 -192.50901 415.39175
6860.0000 -196.71157 -193.47743 3.23413 1.87776 -193.16388 369.13829
6865.0000 -197.24445 -192.78745 4.45700 1.88481 -193.03642 388.58148
6870.0000 -196.94925 -193.24799 3.70126 1.89668 -192.82150 408.61261
6875.0000 -197.15875 -193.54535 3.61340 1.87606 -193.19464 384.26786
6880.0000 -196.78245 -192.72078 4.06167 1.89141 -192.91696 401.03432
6885.0000 -196.89135 -192.90841 3.98294 1.88923 -192.95628 395.51161
6890.0000 -197.20471 -193.68428 3.52042 1.89277 -192.89233 399.35886
6895.0000 -197.43395 -193.79014 3.64381 1.85669 -193.54533 369.86621
6900.0000 -197.40068 -193.82367 3.57701 1.85470 -193.58127 367.15243
6905.0000 -197.37459 -193.37628 3.99831 1.83877 -193.86963 361.10425
6910.0000 -196.88246 -192.64135 4.24112 1.88788 -192.98084 393.22172
6915.0000 -196.37545 -192.40746 3.96799 1.92028 -192.39434 419.50595
6920.0000 -196.55579 -192.73917 3.81662 1.88142 -193.09764 377.29748
6925.0000 -196.38986 -191.97237 4.41749 1.90902 -192.59818 402.60942
6930.0000 -196.38921 -191.95530 4.43391 1.93251 -192.17296 426.78616
6935.0000 -196.57528 -192.76719 3.80809 1.91109 -192.56075 408.43193
6940.0000 -196.51327 -192.71519 3.79808 1.89966 -192.76757 402.73678
6945.0000 -196.16922 -191.91777 4.25146 1.92758 -192.26232 422.16978
6950.0000 -196.39899 -192.77476 3.62423 1.94017 -192.03434 434.28542
6955.0000 -196.40665 -192.48124 3.92541 1.89931 -192.77390 404.30900
6960.0000 -197.09273 -193.27355 3.81918 1.88212 -193.08509 384.26252
6965.0000 -197.18761 -193.65326 3.53434 1.84627 -193.73385 353.85798
6970.0000 -197.12601 -192.93742 4.18859 1.86890 -193.32428 367.44562
6975.0000 -196.40898 -192.38116 4.02782 1.92434 -192.32084 429.90488
6980.0000 -196.68617 -192.61463 4.07155 1.89974 -192.76605 400.30195
6985.0000 -197.47405 -193.76953 3.70452 1.87226 -193.26347 377.64912
6990.0000 -196.64174 -192.62881 4.01293 1.87783 -193.16266 388.75100
6995.0000 -196.95774 -193.48538 3.47236 1.89061 -192.93146 394.85004
7000.0000 -196.49961 -192.30234 4.19728 1.88894 -192.96159 395.84449
FREEZING PROCESS: loop number 29 T-loop= 381.00000000000000
main_MD> interactions number 29 at Temperature= 381.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86683 3.91654 5.33532
force_rgl> df(natom) 0.59094 -1.14129 -0.41376
7005.0000 -197.16487 -193.03305 4.13181 1.89477 -192.85603 402.85561
7010.0000 -197.08796 -193.70076 3.38721 1.87578 -193.19987 394.28365
7015.0000 -196.88483 -193.36234 3.52249 1.85738 -193.53284 376.66318
7020.0000 -196.02370 -191.78456 4.23914 1.90438 -192.68225 414.99172
7025.0000 -196.59277 -192.67549 3.91729 1.93895 -192.05642 440.50349
7030.0000 -197.23083 -193.40549 3.82534 1.86117 -193.46424 376.40920
7035.0000 -197.43484 -193.53252 3.90233 1.85275 -193.61670 368.29019
7040.0000 -196.74855 -192.86617 3.88239 1.87981 -193.12693 383.30347
7045.0000 -196.67806 -192.51941 4.15865 1.90154 -192.73347 403.23032
7050.0000 -197.12337 -193.22610 3.89727 1.90667 -192.64078 404.47287
7055.0000 -197.18805 -193.85781 3.33024 1.86535 -193.38854 368.36499
7060.0000 -197.05957 -193.63813 3.42144 1.84862 -193.69133 358.73316
7065.0000 -196.81811 -192.99117 3.82694 1.87379 -193.23579 378.98330
7070.0000 -196.87457 -192.98597 3.88860 1.87584 -193.19880 383.06518
7075.0000 -197.12152 -193.62148 3.50004 1.86788 -193.34284 378.41886
7080.0000 -197.02536 -193.63632 3.38905 1.84540 -193.74967 354.80287
7085.0000 -196.72989 -193.33751 3.39238 1.85762 -193.52851 366.74331
7090.0000 -196.83332 -193.53790 3.29542 1.86352 -193.42168 371.19824
7095.0000 -197.69155 -193.97332 3.71823 1.84906 -193.68341 359.36605
7100.0000 -196.55764 -192.46572 4.09192 1.85360 -193.60116 356.71508
7105.0000 -196.76930 -193.21083 3.55847 1.89847 -192.78907 394.82499
7110.0000 -196.97859 -193.43844 3.54015 1.85777 -193.52584 357.95852
7115.0000 -196.73422 -192.94126 3.79296 1.89050 -192.93340 399.10777
7120.0000 -196.87522 -192.96335 3.91188 1.88314 -193.06650 389.60161
7125.0000 -196.57404 -192.71508 3.85897 1.88477 -193.03715 396.03035
7130.0000 -197.19323 -193.38858 3.80464 1.88405 -193.05016 394.51493
7135.0000 -197.40376 -193.46403 3.93973 1.85442 -193.58633 364.86824
7140.0000 -196.93265 -193.83797 3.09468 1.84818 -193.69938 361.90469
7145.0000 -196.76697 -193.39691 3.37006 1.86247 -193.44078 373.70069
7150.0000 -196.89601 -193.05997 3.83604 1.88277 -193.07321 392.44665
7155.0000 -196.92249 -193.24506 3.67742 1.87723 -193.17358 390.02895
7160.0000 -197.09489 -193.50740 3.58750 1.84358 -193.78259 362.77476
7165.0000 -196.55137 -192.50350 4.04788 1.87346 -193.24187 386.78584
7170.0000 -197.19482 -192.70926 4.48556 1.90390 -192.69082 407.44164
7175.0000 -196.22013 -192.49230 3.72783 1.89194 -192.90726 395.41285
7180.0000 -196.96826 -193.09631 3.87195 1.90046 -192.75317 398.49841
7185.0000 -196.74781 -193.18568 3.56213 1.86930 -193.31701 362.97882
7190.0000 -196.74755 -192.37344 4.37411 1.89309 -192.88650 394.08123
7195.0000 -196.55789 -193.42797 3.12992 1.86157 -193.45704 374.71502
7200.0000 -197.01197 -193.15647 3.85550 1.86158 -193.45685 372.91332
7205.0000 -197.28956 -193.71358 3.57598 1.88060 -193.11261 383.64049
7210.0000 -197.28960 -193.55711 3.73249 1.82782 -194.06785 345.01746
7215.0000 -197.25035 -193.52762 3.72273 1.85360 -193.60123 362.18186
7220.0000 -196.35710 -192.28778 4.06932 1.88899 -192.96072 392.12638
7225.0000 -196.60921 -192.67030 3.93891 1.93413 -192.14372 431.34144
7230.0000 -196.95120 -192.93853 4.01267 1.90617 -192.64977 408.37429
7235.0000 -197.14664 -193.17995 3.96669 1.89630 -192.82831 393.83426
7240.0000 -196.88295 -193.47381 3.40914 1.85943 -193.49579 362.56294
7245.0000 -196.61707 -193.38422 3.23285 1.84303 -193.79247 348.64945
7250.0000 -196.50396 -193.05050 3.45345 1.88289 -193.07104 380.18787
FREEZING PROCESS: loop number 30 T-loop= 356.00000000000000
main_MD> interactions number 30 at Temperature= 356.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78401 -0.84088 1.25188
force_rgl> df(natom) -0.78535 1.29319 1.41393
7255.0000 -197.11661 -193.35046 3.76615 1.85582 -193.56115 359.99795
7260.0000 -196.95526 -193.44593 3.50933 1.87050 -193.29531 376.05837
7265.0000 -197.59397 -194.05144 3.54253 1.85182 -193.63353 351.21042
7270.0000 -197.88440 -193.58406 4.30034 1.84324 -193.78880 358.70894
7275.0000 -197.88053 -194.21190 3.66863 1.84001 -193.84716 355.68515
7280.0000 -197.79136 -194.31106 3.48030 1.81924 -194.22319 338.59565
7285.0000 -197.25069 -193.08444 4.16625 1.84320 -193.78944 359.65083
7290.0000 -197.27757 -193.97077 3.30680 1.86342 -193.42348 375.28758
7295.0000 -197.35428 -193.98759 3.36670 1.82439 -194.12991 342.67210
7300.0000 -197.60828 -194.26563 3.34266 1.83164 -193.99879 348.33822
7305.0000 -197.21782 -193.85142 3.36640 1.83721 -193.89781 348.73401
7310.0000 -197.67974 -194.92220 2.75754 1.82147 -194.18272 341.58423
7315.0000 -197.80993 -194.26579 3.54414 1.82424 -194.13266 342.78192
7320.0000 -197.14946 -193.24418 3.90528 1.84802 -193.70231 364.38495
7325.0000 -197.44053 -193.54423 3.89630 1.86213 -193.44686 371.56946
7330.0000 -197.46530 -193.78595 3.67935 1.87517 -193.21075 381.49381
7335.0000 -197.69079 -194.35615 3.33464 1.82852 -194.05510 348.47854
7340.0000 -197.39079 -194.24626 3.14453 1.82775 -194.06904 344.12862
7345.0000 -197.30415 -193.87584 3.42831 1.82248 -194.16456 339.83817
7350.0000 -196.75512 -192.89180 3.86332 1.86419 -193.40954 375.98490
7355.0000 -196.91667 -193.29817 3.61851 1.86704 -193.35798 376.24906
7360.0000 -197.10604 -193.50851 3.59754 1.87281 -193.25358 384.26408
7365.0000 -197.53089 -193.87546 3.65543 1.85398 -193.59433 368.51581
7370.0000 -197.56234 -194.02830 3.53404 1.81747 -194.25510 335.99426
7375.0000 -197.24657 -194.03486 3.21171 1.82702 -194.08233 344.62784
7380.0000 -197.39575 -193.79569 3.60006 1.82442 -194.12938 348.93822
7385.0000 -197.41609 -194.00798 3.40811 1.84259 -193.80045 358.39871
7390.0000 -197.05999 -193.23659 3.82339 1.86238 -193.44230 370.23543
7395.0000 -197.70090 -194.01779 3.68311 1.84194 -193.81222 358.54193
7400.0000 -197.27386 -193.82569 3.44817 1.83012 -194.02616 350.25929
7405.0000 -197.66868 -193.62999 4.03869 1.85105 -193.64743 360.87093
7410.0000 -196.57980 -192.94476 3.63504 1.85786 -193.52409 360.81199
7415.0000 -197.47052 -194.22065 3.24987 1.86704 -193.35804 370.46458
7420.0000 -197.47817 -193.80321 3.67496 1.81964 -194.21594 329.55083
7425.0000 -197.07645 -193.51255 3.56390 1.84744 -193.71274 342.18133
7430.0000 -197.61230 -193.99930 3.61300 1.84240 -193.80393 341.90337
7435.0000 -197.31029 -193.77184 3.53845 1.84081 -193.83279 347.56530
7440.0000 -197.63843 -194.34563 3.29280 1.83822 -193.87967 351.61929
7445.0000 -197.64450 -193.85989 3.78461 1.82837 -194.05790 341.59344
7450.0000 -197.23659 -193.82662 3.40997 1.84646 -193.73052 350.17203
7455.0000 -197.04563 -192.99160 4.05403 1.86853 -193.33107 368.13975
7460.0000 -197.40494 -193.90892 3.49602 1.87714 -193.17517 372.15005
7465.0000 -196.79994 -192.83895 3.96099 1.85510 -193.57416 357.34639
7470.0000 -196.71901 -193.24402 3.47498 1.88209 -193.08556 378.70827
7475.0000 -196.80510 -193.06945 3.73565 1.87939 -193.13438 375.67262
7480.0000 -197.07330 -193.69382 3.37949 1.87339 -193.24308 372.34303
7485.0000 -197.10897 -193.45345 3.65551 1.85201 -193.62995 353.41046
7490.0000 -197.30833 -193.38983 3.91850 1.87740 -193.17047 369.30024
7495.0000 -197.13714 -193.17578 3.96136 1.86772 -193.34568 367.90329
7500.0000 -197.95182 -194.22229 3.72953 1.84735 -193.71440 362.11762
FREEZING PROCESS: loop number 31 T-loop= 331.00000000000000
main_MD> interactions number 31 at Temperature= 331.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.40550 -0.03333 -1.05233
force_rgl> df(natom) -1.15107 2.15529 -0.26870
7505.0000 -197.29921 -194.43393 2.86528 1.80879 -194.41231 328.55144
7510.0000 -196.53320 -193.52937 3.00382 1.82355 -194.14509 337.42072
7515.0000 -197.23650 -194.20847 3.02803 1.83606 -193.91874 345.91927
7520.0000 -197.21526 -194.22151 2.99375 1.81203 -194.35358 329.35621
7525.0000 -197.67657 -194.43067 3.24590 1.80572 -194.46777 322.29780
7530.0000 -198.13767 -195.03883 3.09884 1.79486 -194.66438 311.69796
7535.0000 -197.92969 -194.69181 3.23788 1.78345 -194.87092 303.04212
7540.0000 -197.75680 -194.62327 3.13353 1.80786 -194.42912 323.17518
7545.0000 -197.12125 -193.79536 3.32590 1.80721 -194.44086 321.72668
7550.0000 -197.66499 -194.69934 2.96564 1.82916 -194.04363 340.79292
7555.0000 -196.80227 -193.80378 2.99849 1.80761 -194.43364 325.09136
7560.0000 -197.69959 -194.18510 3.51449 1.83577 -193.92401 350.43310
7565.0000 -197.91838 -194.19381 3.72458 1.82795 -194.06544 339.91594
7570.0000 -197.90147 -194.67876 3.22272 1.79157 -194.72386 310.88443
7575.0000 -197.86175 -194.57381 3.28794 1.78873 -194.77540 311.78768
7580.0000 -197.93514 -194.26447 3.67067 1.80299 -194.51719 323.55948
7585.0000 -197.76676 -194.51657 3.25018 1.79950 -194.58033 323.82110
7590.0000 -197.77638 -194.06564 3.71073 1.80176 -194.53942 322.69401
7595.0000 -198.27762 -195.02801 3.24961 1.80529 -194.47566 326.59299
7600.0000 -198.00108 -195.20095 2.80012 1.76973 -195.11929 300.12636
7605.0000 -198.07805 -195.04803 3.03002 1.77904 -194.95067 307.62694
7610.0000 -198.08273 -194.83687 3.24586 1.77898 -194.95175 302.20609
7615.0000 -197.79097 -194.61233 3.17864 1.80137 -194.54659 324.38244
7620.0000 -197.58069 -194.57170 3.00899 1.79740 -194.61834 319.22913
7625.0000 -197.39515 -193.93742 3.45774 1.83198 -193.99258 347.64888
7630.0000 -197.96736 -195.10208 2.86528 1.77663 -194.99434 300.66002
7635.0000 -197.27678 -194.15776 3.11902 1.79062 -194.74105 315.63410
7640.0000 -197.50297 -194.05314 3.44984 1.83321 -193.97020 355.49070
7645.0000 -198.20655 -195.15866 3.04790 1.78330 -194.87359 311.10952
7650.0000 -197.38604 -194.36801 3.01803 1.76923 -195.12835 296.70950
7655.0000 -197.43525 -194.64177 2.79348 1.79752 -194.61632 321.97798
7660.0000 -197.92469 -194.74521 3.17948 1.79188 -194.71836 319.05600
7665.0000 -197.20180 -194.13292 3.06888 1.79764 -194.61400 319.16280
7670.0000 -197.05448 -193.77752 3.27696 1.83758 -193.89126 350.08654
7675.0000 -197.54623 -193.81829 3.72794 1.83971 -193.85266 355.36433
7680.0000 -197.29831 -194.38333 2.91498 1.81911 -194.22548 333.11194
7685.0000 -197.58824 -194.60663 2.98161 1.81190 -194.35603 327.07063
7690.0000 -198.55283 -194.81434 3.73849 1.79147 -194.72579 314.17943
7695.0000 -198.26864 -194.81672 3.45192 1.78428 -194.85592 313.74530
7700.0000 -197.51511 -194.53397 2.98114 1.82175 -194.17766 341.11616
7705.0000 -196.82490 -193.00866 3.81624 1.84259 -193.80050 359.32691
7710.0000 -198.13822 -194.19323 3.94499 1.84935 -193.67812 359.63792
7715.0000 -197.60732 -194.59663 3.01069 1.81098 -194.37264 331.26786
7720.0000 -197.04148 -193.94358 3.09789 1.82107 -194.18993 342.65536
7725.0000 -197.42739 -194.12644 3.30095 1.82490 -194.12062 338.90657
7730.0000 -197.63630 -193.72867 3.90763 1.82098 -194.19172 339.04789
7735.0000 -197.29942 -193.68111 3.61832 1.84672 -193.72573 359.83776
7740.0000 -196.59487 -192.94307 3.65180 1.85387 -193.59640 366.36945
7745.0000 -197.42005 -193.47730 3.94274 1.87078 -193.29029 382.87848
7750.0000 -197.86235 -194.34109 3.52125 1.83201 -193.99200 348.74096
FREEZING PROCESS: loop number 32 T-loop= 306.00000000000000
main_MD> interactions number 32 at Temperature= 306.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63803 -0.04220 -1.24703
force_rgl> df(natom) 0.18422 0.11927 -1.39764
7755.0000 -197.84936 -194.98588 2.86348 1.78497 -194.84336 309.63923
7760.0000 -198.07946 -194.79759 3.28188 1.78563 -194.83145 308.54341
7765.0000 -198.03243 -194.92835 3.10408 1.79050 -194.74325 312.34443
7770.0000 -197.30876 -194.62783 2.68093 1.79606 -194.64261 317.15499
7775.0000 -198.27597 -195.97254 2.30343 1.76460 -195.21211 292.06817
7780.0000 -197.72755 -194.97415 2.75340 1.74389 -195.58693 272.76253
7785.0000 -198.21587 -194.98366 3.23222 1.76554 -195.19514 293.29250
7790.0000 -197.99529 -195.17239 2.82290 1.78643 -194.81702 306.57852
7795.0000 -197.91118 -194.66338 3.24780 1.77818 -194.96620 300.25122
7800.0000 -197.42839 -194.48949 2.93891 1.79568 -194.64959 319.67591
7805.0000 -198.32402 -195.17070 3.15332 1.77351 -195.05087 300.04802
7810.0000 -198.39293 -195.41209 2.98084 1.75744 -195.34159 286.69250
7815.0000 -198.22013 -195.32960 2.89053 1.75831 -195.32588 285.13612
7820.0000 -197.88426 -194.30051 3.58375 1.78979 -194.75616 310.16391
7825.0000 -198.33761 -195.57546 2.76215 1.76367 -195.22883 291.65258
7830.0000 -198.30066 -195.04862 3.25204 1.76736 -195.16220 293.86074
7835.0000 -197.95359 -195.03561 2.91798 1.75916 -195.31057 286.96665
7840.0000 -197.64455 -194.57196 3.07259 1.76632 -195.18101 295.36685
7845.0000 -198.09614 -194.71468 3.38146 1.79138 -194.72728 313.80196
7850.0000 -197.56253 -194.27055 3.29198 1.80773 -194.43145 326.89144
7855.0000 -197.01401 -192.91332 4.10069 1.84171 -193.81643 355.58256
7860.0000 -197.65972 -194.48870 3.17103 1.82852 -194.05512 345.17129
7865.0000 -197.88333 -194.72188 3.16145 1.81462 -194.30674 327.41746
7870.0000 -198.04015 -194.56473 3.47542 1.80330 -194.51155 319.84099
7875.0000 -198.14379 -195.01172 3.13207 1.78842 -194.78098 306.73178
7880.0000 -198.12039 -195.18942 2.93097 1.76316 -195.23819 284.70609
7885.0000 -198.38015 -195.52823 2.85192 1.76758 -195.15819 288.29842
7890.0000 -197.59980 -194.31702 3.28278 1.80109 -194.55170 314.89191
7895.0000 -197.69771 -194.03872 3.65899 1.82225 -194.16859 334.10009
7900.0000 -198.33371 -194.84802 3.48569 1.80719 -194.44122 322.66254
7905.0000 -197.65274 -194.96108 2.69166 1.76911 -195.13039 290.69573
7910.0000 -197.57833 -194.56104 3.01729 1.78963 -194.75905 306.70533
7915.0000 -197.95609 -194.50333 3.45275 1.80257 -194.52482 321.31390
7920.0000 -198.21060 -194.62777 3.58283 1.79065 -194.74054 314.03375
7925.0000 -197.82025 -194.71222 3.10802 1.80009 -194.56980 320.42392
7930.0000 -198.09439 -194.67375 3.42064 1.79184 -194.71911 313.55852
7935.0000 -197.76263 -195.03725 2.72537 1.78176 -194.90152 305.22148
7940.0000 -197.56195 -194.05675 3.50520 1.78123 -194.91105 304.29229
7945.0000 -197.85959 -195.07916 2.78043 1.80945 -194.40031 327.84029
7950.0000 -198.33761 -195.07088 3.26673 1.77424 -195.03764 302.96900
7955.0000 -197.56268 -194.61626 2.94642 1.79159 -194.72359 311.99208
7960.0000 -198.18763 -195.15354 3.03409 1.74916 -195.49153 277.97385
7965.0000 -197.65823 -194.44706 3.21117 1.78018 -194.93016 304.88353
7970.0000 -197.88079 -194.87997 3.00082 1.78511 -194.84077 308.64557
7975.0000 -197.71768 -194.85644 2.86124 1.77982 -194.93654 304.33309
7980.0000 -197.54638 -194.40712 3.13926 1.79138 -194.72739 311.79958
7985.0000 -197.73221 -195.19991 2.53230 1.79625 -194.63920 318.79483
7990.0000 -197.76405 -194.76994 2.99410 1.79551 -194.65266 314.67868
7995.0000 -198.21033 -195.08666 3.12366 1.77706 -194.98661 304.01823
8000.0000 -197.98148 -195.13679 2.84469 1.77585 -195.00839 303.89336
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 12 [min], 53.3140431 [s].
main_MD> Deallocating global variables
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