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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_79/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_79.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 = 79 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: 79 7900
main_MD> Size of nv and nvoiz: 79 7900
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 = 79
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.12768418270370527 4.0942530806764278E-002 -9.2353924056266537E-002 initial drift of cluster / NP1 for coalescence
init> 0.32729548119005958 0.35256518588483055 0.28789667522589141 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5625114822614894E-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) -1.03347 -2.76117 4.75354
force_rgl> df(natom) -0.09546 -0.47852 3.83837
preparo> THERMALIZATION PROCESS AT 1099.6429164897672
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -174.41410106629351 14.436272555908573 -188.85037362220208 6.7168202890647373E-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= 1076.0000000000000
main_MD> interactions number 1 at Temperature= 1076.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92160 0.01511 -0.30031
force_rgl> df(natom) -4.05927 2.54331 2.71642
5.0000 -183.31967 -171.83821 11.48145 3.25578 -173.10674 1217.79509
10.0000 -188.05281 -175.99768 12.05514 3.27901 -172.67911 1235.39572
15.0000 -189.51584 -176.98861 12.52723 3.08421 -176.26557 1128.61319
20.0000 -187.43169 -177.13503 10.29666 3.00449 -177.73342 1067.74599
25.0000 -188.77941 -177.57189 11.20752 2.97700 -178.23944 1042.85315
30.0000 -189.68318 -178.75961 10.92357 3.01850 -177.47550 1071.09590
35.0000 -190.01110 -179.68635 10.32475 2.94190 -178.88585 1045.26331
40.0000 -187.22856 -176.93007 10.29849 2.94238 -178.87701 1044.50369
45.0000 -187.76419 -178.31269 9.45151 3.04605 -176.96823 1125.98364
50.0000 -188.47001 -178.95923 9.51078 2.92436 -179.20876 1039.91656
55.0000 -187.31578 -176.25405 11.06173 3.03319 -177.20505 1108.06244
60.0000 -187.05792 -176.68182 10.37610 3.07147 -176.50015 1130.94708
65.0000 -186.46724 -174.69843 11.76882 3.09009 -176.15744 1125.95298
70.0000 -187.75411 -176.62456 11.12955 3.12718 -175.47458 1142.78833
75.0000 -188.37574 -177.58919 10.78654 3.05195 -176.85965 1112.11962
80.0000 -190.19222 -179.46494 10.72728 2.96003 -178.55193 1048.44769
85.0000 -190.48546 -180.42491 10.06055 2.94437 -178.84021 1051.18666
90.0000 -187.33879 -178.39081 8.94798 2.94502 -178.82840 1026.83324
95.0000 -190.17965 -177.23916 12.94049 2.96477 -178.46467 1021.61700
100.0000 -188.25351 -179.05265 9.20086 2.95303 -178.68086 1059.89488
105.0000 -189.08983 -178.46231 10.62752 2.99641 -177.88220 1073.28301
110.0000 -188.87721 -177.10932 11.76789 3.03436 -177.18341 1122.08022
115.0000 -187.45711 -178.13863 9.31848 3.00145 -177.78946 1051.57062
120.0000 -189.92703 -179.13571 10.79133 2.96596 -178.44282 1040.40286
125.0000 -189.54831 -179.09666 10.45166 2.94882 -178.75829 1046.91744
130.0000 -190.72354 -180.89860 9.82494 2.90020 -179.65350 1029.30168
135.0000 -189.33099 -179.12440 10.20659 2.89580 -179.73446 1056.55798
140.0000 -187.72930 -177.91314 9.81616 2.97579 -178.26173 1077.00845
145.0000 -189.49698 -178.14170 11.35528 3.05715 -176.76378 1122.30013
150.0000 -189.77090 -178.49373 11.27717 2.89718 -179.70918 1033.11206
155.0000 -189.07363 -178.36562 10.70801 2.98792 -178.03852 1085.11425
160.0000 -187.74762 -177.21517 10.53245 2.99534 -177.90180 1065.00651
165.0000 -189.53395 -177.07246 12.46148 3.03223 -177.22266 1081.42198
170.0000 -187.21550 -176.22474 10.99076 3.06852 -176.55445 1102.71269
175.0000 -192.09158 -180.59826 11.49331 2.97388 -178.29698 1089.47809
180.0000 -190.81273 -180.60553 10.20720 2.84617 -180.64836 1006.81823
185.0000 -189.09462 -177.92582 11.16880 2.91302 -179.41757 1021.53967
190.0000 -187.88658 -176.28131 11.60527 3.06591 -176.60260 1114.12677
195.0000 -187.62944 -174.24602 13.38342 3.18839 -174.34764 1207.94846
200.0000 -188.34471 -177.13827 11.20644 3.10041 -175.96739 1143.41556
205.0000 -189.40972 -176.76556 12.64415 2.98725 -178.05090 1035.77881
210.0000 -187.96818 -175.70053 12.26765 3.07258 -176.47974 1105.19997
215.0000 -187.37421 -176.63335 10.74086 3.03868 -177.10383 1113.71233
220.0000 -186.14475 -175.09195 11.05280 3.15628 -174.93867 1156.40601
225.0000 -187.44265 -177.58314 9.85951 3.07361 -176.46087 1103.23537
230.0000 -189.37813 -179.17334 10.20479 2.97359 -178.30230 1054.37257
235.0000 -187.61670 -175.73421 11.88249 3.08787 -176.19829 1116.68956
240.0000 -189.24225 -177.26333 11.97892 3.03431 -177.18442 1119.40097
245.0000 -189.90018 -178.57409 11.32609 3.04406 -177.00480 1101.04455
250.0000 -190.09591 -179.08520 11.01070 2.97087 -178.35244 1061.53126
FREEZING PROCESS: loop number 2 T-loop= 1051.0000000000000
main_MD> interactions number 2 at Temperature= 1051.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.34565 3.62102 -0.28296
force_rgl> df(natom) -0.59500 2.94228 0.75652
255.0000 -189.55824 -177.39436 12.16389 2.96542 -178.45279 1044.16061
260.0000 -190.64240 -180.47278 10.16962 2.91641 -179.35500 1026.48468
265.0000 -190.78909 -179.63557 11.15352 2.84250 -180.71589 952.77813
270.0000 -188.07860 -176.69479 11.38381 2.99102 -177.98139 1053.01043
275.0000 -188.20881 -175.81798 12.39084 3.08045 -176.33495 1130.85968
280.0000 -188.77227 -178.12998 10.64230 3.06296 -176.65685 1151.46943
285.0000 -189.88369 -179.09979 10.78390 2.95124 -178.71389 1044.62135
290.0000 -188.57282 -178.11279 10.46003 3.00939 -177.64311 1074.83059
295.0000 -189.24259 -178.40929 10.83330 2.98418 -178.10729 1086.11953
300.0000 -190.44071 -179.29005 11.15066 2.89778 -179.69809 1009.81468
305.0000 -189.78778 -180.81976 8.96802 2.82694 -181.00227 938.23901
310.0000 -188.35989 -178.09770 10.26218 2.90784 -179.51282 993.01070
315.0000 -189.53781 -177.35513 12.18268 3.06699 -176.58265 1121.92034
320.0000 -189.31421 -178.21790 11.09631 3.00017 -177.81296 1067.37147
325.0000 -192.13364 -178.70811 13.42553 2.93146 -179.07794 1015.18513
330.0000 -189.53065 -178.96634 10.56431 2.93082 -179.08977 1066.62301
335.0000 -191.31026 -181.10560 10.20466 2.89102 -179.82249 1012.26882
340.0000 -189.73681 -179.88945 9.84736 2.83237 -180.90233 959.65714
345.0000 -189.69079 -179.57462 10.11617 2.90210 -179.61853 984.09503
350.0000 -186.95256 -176.40359 10.54897 2.96609 -178.44031 1037.38215
355.0000 -186.98607 -176.81112 10.17495 3.10017 -175.97180 1132.79700
360.0000 -189.65187 -178.02330 11.62856 3.00055 -177.80599 1048.51669
365.0000 -189.05305 -178.14260 10.91045 2.95331 -178.67562 1031.57727
370.0000 -191.61130 -181.52705 10.08425 2.91306 -179.41676 1006.06092
375.0000 -190.17168 -178.25696 11.91472 2.84246 -180.71650 987.17487
380.0000 -188.82777 -176.43334 12.39443 2.99893 -177.83572 1077.39347
385.0000 -191.82473 -180.38022 11.44451 2.99106 -177.98062 1062.29084
390.0000 -190.83205 -180.41069 10.42136 2.86893 -180.22923 978.41905
395.0000 -189.76021 -178.86647 10.89374 2.88047 -180.01684 1012.87838
400.0000 -188.84090 -177.35607 11.48483 2.96797 -178.40587 1050.90877
405.0000 -187.88830 -179.44376 8.44454 2.99065 -177.98814 1050.38356
410.0000 -188.63123 -177.52243 11.10880 3.00344 -177.75275 1057.25037
415.0000 -188.39624 -177.61675 10.77949 2.97646 -178.24945 1094.59180
420.0000 -188.83670 -179.65298 9.18372 2.96951 -178.37737 1036.03423
425.0000 -190.06374 -179.52842 10.53532 2.88583 -179.91816 975.33747
430.0000 -189.09679 -177.75116 11.34563 2.90141 -179.63133 1028.01782
435.0000 -189.31343 -176.89980 12.41364 2.95726 -178.60296 1062.06303
440.0000 -186.92354 -175.61005 11.31349 3.06422 -176.63376 1127.63718
445.0000 -189.60690 -177.65545 11.95145 3.06605 -176.59992 1122.29784
450.0000 -189.04896 -178.43065 10.61831 2.94420 -178.84339 1001.95199
455.0000 -189.90535 -178.53419 11.37115 2.97431 -178.28902 1059.77738
460.0000 -189.10397 -176.71888 12.38509 3.01466 -177.54609 1101.93511
465.0000 -190.65480 -178.37057 12.28423 3.05879 -176.73358 1118.43175
470.0000 -190.07071 -179.84608 10.22464 2.88185 -179.99144 998.10332
475.0000 -190.98858 -181.70823 9.28034 2.85071 -180.56466 970.59393
480.0000 -189.72919 -178.56860 11.16060 2.90524 -179.56079 1001.93105
485.0000 -190.60248 -180.47751 10.12497 2.91770 -179.33130 1006.95119
490.0000 -188.45706 -178.65736 9.79970 2.84862 -180.60320 982.54824
495.0000 -189.73752 -179.99785 9.73967 2.95827 -178.58430 1022.51725
500.0000 -189.57530 -179.42745 10.14786 2.87991 -180.02709 1013.58643
FREEZING PROCESS: loop number 3 T-loop= 1026.0000000000000
main_MD> interactions number 3 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03805 2.66236 1.18600
force_rgl> df(natom) 2.60171 1.23616 1.41208
505.0000 -191.08956 -181.24450 9.84506 2.86894 -180.22914 983.40855
510.0000 -190.35432 -179.64412 10.71020 2.89965 -179.66356 1003.20800
515.0000 -189.31962 -177.50501 11.81461 3.00885 -177.65322 1106.31699
520.0000 -190.09782 -178.54135 11.55647 2.96864 -178.39349 1065.05484
525.0000 -190.87709 -180.38774 10.48935 2.92706 -179.15901 1026.51339
530.0000 -189.65932 -179.85554 9.80378 2.87143 -180.18316 995.46898
535.0000 -189.63044 -178.06688 11.56356 2.95087 -178.72053 1030.28768
540.0000 -190.19057 -179.99359 10.19698 2.92065 -179.27704 1035.78070
545.0000 -188.77926 -177.95950 10.81977 2.89613 -179.72839 976.00129
550.0000 -191.12167 -178.71285 12.40882 2.94840 -178.76612 1040.38679
555.0000 -188.05690 -178.66927 9.38763 2.95456 -178.65270 1024.40122
560.0000 -188.82646 -177.74373 11.08273 2.95465 -178.65110 1020.28745
565.0000 -187.85231 -176.32149 11.53082 3.09132 -176.13468 1141.29679
570.0000 -186.66092 -176.14936 10.51156 3.07928 -176.35634 1081.90601
575.0000 -189.53137 -176.60770 12.92368 3.08415 -176.26669 1106.08961
580.0000 -189.60759 -177.75360 11.85398 3.09982 -175.97819 1114.13636
585.0000 -188.55710 -178.51880 10.03830 3.01365 -177.56467 1072.33243
590.0000 -189.96848 -179.59147 10.37701 2.93478 -179.01682 1040.95797
595.0000 -189.81972 -178.68437 11.13535 2.96742 -178.41596 1066.27836
600.0000 -188.88710 -179.14842 9.73868 2.93883 -178.94222 1026.29594
605.0000 -188.70447 -178.06846 10.63601 2.99427 -177.92149 1066.79386
610.0000 -190.85504 -180.87625 9.97879 2.99098 -177.98221 1064.62819
615.0000 -188.83032 -179.26911 9.56121 2.87635 -180.09257 973.07477
620.0000 -190.74046 -179.31499 11.42547 2.88998 -179.84172 1000.37725
625.0000 -190.29036 -179.28576 11.00460 2.91519 -179.37749 1018.14709
630.0000 -188.48833 -179.08049 9.40783 2.94489 -178.83074 1067.11798
635.0000 -188.70542 -178.18272 10.52270 2.96127 -178.52918 1046.03772
640.0000 -188.66826 -177.81847 10.84980 3.05640 -176.77773 1092.76317
645.0000 -191.18945 -178.93251 12.25694 2.97941 -178.19515 1053.65816
650.0000 -190.48661 -180.28108 10.20553 2.87849 -180.05323 997.03788
655.0000 -189.48164 -179.95205 9.52959 2.91964 -179.29559 1030.37456
660.0000 -187.66447 -177.50133 10.16314 2.94487 -178.83112 1005.43917
665.0000 -189.96913 -179.45245 10.51667 2.96056 -178.54221 1024.84563
670.0000 -189.05993 -179.13822 9.92171 2.90904 -179.49080 1003.90052
675.0000 -187.44523 -178.13451 9.31071 2.99505 -177.90718 1066.68909
680.0000 -191.38941 -179.77371 11.61570 2.91400 -179.39952 1017.69585
685.0000 -190.28475 -180.94083 9.34391 2.87968 -180.03122 994.41362
690.0000 -190.87262 -178.03479 12.83783 2.89614 -179.72827 993.62868
695.0000 -188.59185 -176.99742 11.59443 2.98321 -178.12520 1062.51655
700.0000 -188.43638 -177.51425 10.92213 3.07052 -176.51762 1107.10125
705.0000 -188.36315 -178.67819 9.68496 2.99564 -177.89637 1046.89561
710.0000 -189.17317 -177.99174 11.18143 2.96077 -178.53833 1014.94634
715.0000 -188.18044 -175.96630 12.21413 3.05286 -176.84277 1085.58574
720.0000 -189.92394 -177.97390 11.95004 3.07193 -176.49179 1118.29202
725.0000 -188.64300 -178.81097 9.83203 2.99611 -177.88761 1068.92218
730.0000 -188.82231 -178.47004 10.35227 2.96215 -178.51289 1041.03386
735.0000 -189.12980 -177.40823 11.72157 3.02750 -177.30981 1108.72427
740.0000 -189.14437 -178.85073 10.29364 2.97414 -178.29219 1037.56113
745.0000 -189.93028 -179.56680 10.36348 2.93557 -179.00223 1027.85350
750.0000 -188.59230 -177.98513 10.60717 2.96772 -178.41032 1030.51798
FREEZING PROCESS: loop number 4 T-loop= 1001.0000000000000
main_MD> interactions number 4 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89324 1.46394 -6.04217
force_rgl> df(natom) -0.56630 1.41619 0.52292
755.0000 -189.13164 -177.97975 11.15189 2.97886 -178.20533 1057.44418
760.0000 -191.64438 -178.99866 12.64571 2.95560 -178.63345 1034.33456
765.0000 -189.67509 -178.45980 11.21529 2.93679 -178.97977 1043.68547
770.0000 -188.88081 -179.90794 8.97287 2.90620 -179.54298 1027.15458
775.0000 -190.27101 -179.11503 11.15598 2.94069 -178.90798 989.07635
780.0000 -189.84846 -181.25230 8.59616 2.84221 -180.72122 969.44517
785.0000 -190.77978 -180.22649 10.55329 2.83385 -180.87508 981.45823
790.0000 -187.45041 -176.82526 10.62515 3.00988 -177.63420 1088.98883
795.0000 -190.28538 -178.22151 12.06386 3.00360 -177.74972 1088.51698
800.0000 -187.90336 -178.50785 9.39551 3.01825 -177.48005 1083.98957
805.0000 -189.20523 -178.88822 10.31701 2.97689 -178.24148 1020.49743
810.0000 -187.91446 -176.02054 11.89392 3.04692 -176.95218 1078.62830
815.0000 -189.33890 -176.94871 12.39019 3.10985 -175.79361 1164.88237
820.0000 -189.67483 -179.57616 10.09867 2.90320 -179.59827 1010.55715
825.0000 -187.83571 -177.81953 10.01617 2.97705 -178.23868 1070.28735
830.0000 -189.83197 -179.51041 10.32156 2.91666 -179.35037 1015.44178
835.0000 -190.07104 -180.22735 9.84369 2.87615 -180.09638 1002.50719
840.0000 -187.95059 -177.11710 10.83350 2.98104 -178.16515 1056.55669
845.0000 -191.92259 -182.77116 9.15143 2.85147 -180.55065 982.52195
850.0000 -190.07031 -179.81101 10.25930 2.80677 -181.37365 956.35642
855.0000 -191.40893 -181.35490 10.05404 2.88513 -179.93101 1007.54602
860.0000 -189.78144 -179.64123 10.14021 2.94636 -178.80363 1022.24956
865.0000 -189.10536 -178.86173 10.24363 2.96033 -178.54643 1022.46629
870.0000 -189.62773 -180.40396 9.22376 2.89079 -179.82682 993.01603
875.0000 -191.43881 -181.13830 10.30051 2.80219 -181.45809 916.97236
880.0000 -190.42014 -180.81476 9.60539 2.82306 -181.07367 962.11994
885.0000 -190.30899 -178.59334 11.71565 2.87069 -180.19683 986.59000
890.0000 -191.05786 -178.98409 12.07377 2.93558 -179.00217 1022.05991
895.0000 -191.87016 -182.25029 9.61987 2.83272 -180.89591 959.15228
900.0000 -190.80076 -180.80780 9.99296 2.77792 -181.90487 923.81087
905.0000 -190.68554 -180.59573 10.08981 2.85508 -180.48422 971.28715
910.0000 -190.76890 -179.75905 11.00985 2.86947 -180.21921 997.98189
915.0000 -191.23176 -180.50632 10.72544 2.88557 -179.92294 1033.54932
920.0000 -191.00808 -182.25144 8.75663 2.85224 -180.53646 959.03564
925.0000 -189.69717 -179.75245 9.94472 2.87077 -180.19530 971.81758
930.0000 -191.95626 -183.17563 8.78063 2.83917 -180.77720 942.78928
935.0000 -189.13009 -180.61361 8.51648 2.78665 -181.74415 932.69689
940.0000 -190.82138 -181.62978 9.19160 2.78099 -181.84835 933.39413
945.0000 -192.01859 -183.34409 8.67450 2.71024 -183.15098 887.57461
950.0000 -191.16944 -180.47285 10.69659 2.77523 -181.95437 928.97308
955.0000 -189.22945 -178.84310 10.38634 2.86338 -180.33150 1011.09039
960.0000 -189.12124 -179.36244 9.75880 2.92899 -179.12338 1020.29588
965.0000 -189.36945 -179.44511 9.92434 2.87728 -180.07541 993.90363
970.0000 -189.87655 -178.30045 11.57610 2.92869 -179.12896 1019.68743
975.0000 -191.05141 -180.15049 10.90092 2.89110 -179.82114 992.63093
980.0000 -189.40044 -179.69056 9.70988 2.86341 -180.33095 984.88960
985.0000 -190.60223 -179.57978 11.02245 2.95746 -178.59926 1033.08271
990.0000 -189.07899 -179.65437 9.42463 2.91420 -179.39574 981.38200
995.0000 -187.50131 -180.05721 7.44410 2.92153 -179.26076 1013.72351
1000.0000 -189.63838 -178.84758 10.79080 2.98661 -178.06258 1064.02798
FREEZING PROCESS: loop number 5 T-loop= 976.00000000000000
main_MD> interactions number 5 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73706 -2.18375 -1.95543
force_rgl> df(natom) -0.56226 2.09051 -1.54537
1005.0000 -188.80832 -177.92150 10.88681 2.91444 -179.39136 1018.42999
1010.0000 -189.56165 -180.02221 9.53943 2.93331 -179.04397 1018.10880
1015.0000 -191.28365 -179.03091 12.25274 2.89322 -179.78197 1002.84013
1020.0000 -190.04624 -179.28381 10.76243 2.89540 -179.74193 1010.51462
1025.0000 -190.88121 -179.89138 10.98983 2.84297 -180.70717 958.32058
1030.0000 -189.56068 -180.40613 9.15455 2.87283 -180.15737 1004.76610
1035.0000 -190.91447 -180.00225 10.91222 2.82056 -181.11979 968.04855
1040.0000 -191.51327 -181.74032 9.77295 2.80638 -181.38095 949.83362
1045.0000 -190.14237 -179.18069 10.96168 2.86492 -180.30314 976.37955
1050.0000 -190.08183 -180.56091 9.52093 2.84264 -180.71319 964.37913
1055.0000 -189.97355 -180.91738 9.05618 2.80749 -181.36049 944.12187
1060.0000 -190.07976 -180.48205 9.59770 2.80800 -181.35108 931.18755
1065.0000 -191.04323 -181.13388 9.90934 2.86034 -180.38732 978.86709
1070.0000 -192.66136 -182.81502 9.84634 2.77993 -181.86790 915.31411
1075.0000 -191.88347 -182.92510 8.95837 2.75625 -182.30384 926.33133
1080.0000 -192.44420 -183.69939 8.74481 2.71099 -183.13704 885.14618
1085.0000 -191.69750 -181.87244 9.82507 2.72143 -182.94497 899.04962
1090.0000 -190.86197 -183.37309 7.48889 2.74746 -182.46561 927.25006
1095.0000 -192.13558 -182.62557 9.51001 2.77692 -181.92326 934.01334
1100.0000 -192.58261 -181.98285 10.59976 2.78711 -181.73556 941.40995
1105.0000 -190.86139 -179.29199 11.56940 2.78292 -181.81287 935.84716
1110.0000 -190.11732 -181.03556 9.08176 2.84374 -180.69296 1001.07310
1115.0000 -191.72697 -180.41629 11.31068 2.88390 -179.95368 998.22724
1120.0000 -189.44597 -180.56072 8.88526 2.90355 -179.59193 1025.49559
1125.0000 -188.04617 -177.02818 11.01799 2.95387 -178.66535 1028.66910
1130.0000 -189.59280 -177.93865 11.65414 3.05506 -176.80229 1105.76888
1135.0000 -191.16761 -180.74640 10.42120 2.92961 -179.11208 1022.42323
1140.0000 -189.93502 -179.11652 10.81850 2.84355 -180.69648 958.62856
1145.0000 -190.13444 -179.54888 10.58556 2.88453 -179.94209 971.90090
1150.0000 -190.49511 -180.72498 9.77013 2.84708 -180.63151 968.36978
1155.0000 -191.78454 -182.06953 9.71501 2.84283 -180.70976 972.46250
1160.0000 -191.24275 -182.17125 9.07150 2.82890 -180.96632 981.89617
1165.0000 -190.87373 -182.10615 8.76758 2.78905 -181.69994 925.93756
1170.0000 -190.19170 -180.98654 9.20516 2.75867 -182.25932 901.15313
1175.0000 -191.62146 -181.99755 9.62392 2.82099 -181.11192 936.99536
1180.0000 -193.20291 -184.37907 8.82384 2.75477 -182.33103 913.04871
1185.0000 -193.35647 -183.37658 9.97989 2.71942 -182.98187 884.84841
1190.0000 -191.74100 -182.81148 8.92952 2.70554 -183.23746 886.31671
1195.0000 -190.66702 -180.61352 10.05350 2.80780 -181.35464 963.86080
1200.0000 -191.83345 -181.67616 10.15729 2.81926 -181.14377 955.21878
1205.0000 -189.39908 -180.78070 8.61838 2.83269 -180.89640 956.19634
1210.0000 -191.21380 -182.17390 9.03990 2.77314 -181.99293 914.61328
1215.0000 -191.03517 -179.30757 11.72760 2.88899 -179.85996 970.58524
1220.0000 -190.76712 -181.37319 9.39393 2.90024 -179.65276 1014.19008
1225.0000 -190.58844 -179.84010 10.74834 2.81639 -181.19659 954.79986
1230.0000 -189.49285 -178.44298 11.04987 2.91153 -179.44485 1009.41821
1235.0000 -188.69151 -178.31360 10.37791 3.00945 -177.64212 1064.67127
1240.0000 -192.36279 -183.40803 8.95476 2.82970 -180.95158 958.06014
1245.0000 -190.10672 -180.03794 10.06878 2.74466 -182.51718 908.38148
1250.0000 -189.66342 -180.28979 9.37363 2.87254 -180.16283 995.11409
FREEZING PROCESS: loop number 6 T-loop= 951.00000000000000
main_MD> interactions number 6 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99416 2.76001 0.65942
force_rgl> df(natom) 1.04905 -0.40605 -1.34897
1255.0000 -189.75306 -180.48547 9.26759 2.80737 -181.36265 910.90280
1260.0000 -189.34318 -179.12922 10.21395 2.87861 -180.05105 983.14203
1265.0000 -190.94443 -181.86624 9.07819 2.85994 -180.39472 963.28673
1270.0000 -191.05244 -179.70071 11.35172 2.78499 -181.77477 919.81173
1275.0000 -191.43091 -181.28800 10.14290 2.87464 -180.12417 1008.04421
1280.0000 -189.53025 -178.56876 10.96149 2.82974 -180.95071 920.53923
1285.0000 -189.40075 -178.50065 10.90010 3.00600 -177.70560 1062.10335
1290.0000 -191.38023 -179.77627 11.60396 2.88650 -179.90574 961.36635
1295.0000 -191.86604 -181.07874 10.78730 2.83540 -180.84649 959.20512
1300.0000 -189.60311 -180.65510 8.94801 2.79487 -181.59271 929.97643
1305.0000 -190.64560 -181.14771 9.49789 2.76478 -182.14672 914.64573
1310.0000 -190.34131 -180.74651 9.59480 2.82367 -181.06259 946.44239
1315.0000 -191.45112 -181.64544 9.80567 2.80097 -181.48044 955.00007
1320.0000 -192.30451 -183.66440 8.64012 2.72008 -182.96984 897.05967
1325.0000 -192.99299 -183.93971 9.05328 2.63415 -184.55188 825.36125
1330.0000 -192.80612 -182.71752 10.08861 2.70925 -183.16924 862.52599
1335.0000 -189.36444 -179.50833 9.85611 2.78569 -181.76184 919.90763
1340.0000 -191.51932 -181.35799 10.16133 2.84770 -180.62014 982.14831
1345.0000 -190.79088 -181.57291 9.21797 2.81069 -181.30156 967.04329
1350.0000 -191.22234 -181.71241 9.50993 2.82088 -181.11383 975.05738
1355.0000 -189.39433 -180.21549 9.17884 2.76977 -182.05495 924.77200
1360.0000 -187.59174 -178.66679 8.92495 2.91055 -179.46294 994.71617
1365.0000 -190.23570 -180.24633 9.98937 2.88299 -179.97032 989.99229
1370.0000 -191.87085 -179.54135 12.32950 2.88271 -179.97549 992.56991
1375.0000 -190.01643 -180.02986 9.98657 2.92221 -179.24835 1026.76384
1380.0000 -190.59994 -180.71693 9.88301 2.81339 -181.25184 949.00993
1385.0000 -190.92552 -180.19667 10.72886 2.85837 -180.42360 998.48926
1390.0000 -190.58876 -180.43603 10.15274 2.88947 -179.85102 995.66350
1395.0000 -188.72161 -179.62911 9.09250 2.85841 -180.42283 985.93015
1400.0000 -191.29995 -182.23515 9.06480 2.76382 -182.16448 924.90010
1405.0000 -192.03590 -182.07755 9.95835 2.73413 -182.71102 912.45433
1410.0000 -192.65818 -184.11083 8.54735 2.70408 -183.26434 912.90713
1415.0000 -192.27060 -182.74294 9.52766 2.71640 -183.03757 879.27468
1420.0000 -191.62225 -183.51099 8.11126 2.75851 -182.26213 915.22688
1425.0000 -192.25410 -183.47024 8.78386 2.72481 -182.88270 877.07041
1430.0000 -193.63772 -184.18631 9.45141 2.65933 -184.08833 868.90582
1435.0000 -193.59681 -184.72423 8.87258 2.67622 -183.77735 867.99402
1440.0000 -193.36962 -184.98167 8.38796 2.65184 -184.22614 847.97412
1445.0000 -192.41980 -182.32727 10.09253 2.71124 -183.13256 903.45517
1450.0000 -190.76841 -180.88470 9.88371 2.79074 -181.66881 935.51434
1455.0000 -191.31702 -181.25911 10.05791 2.80307 -181.44186 971.43887
1460.0000 -190.43935 -182.09049 8.34886 2.82823 -180.97858 964.77555
1465.0000 -190.51784 -181.38312 9.13472 2.78704 -181.73701 897.01382
1470.0000 -192.61899 -183.38108 9.23791 2.76532 -182.13680 909.10011
1475.0000 -191.35230 -182.13264 9.21966 2.73890 -182.62331 911.49985
1480.0000 -191.89111 -182.25255 9.63856 2.78482 -181.77772 931.83608
1485.0000 -193.59663 -184.88656 8.71007 2.70401 -183.26569 882.13404
1490.0000 -192.32326 -182.26148 10.06177 2.73448 -182.70458 887.16292
1495.0000 -191.01426 -180.41036 10.60390 2.81072 -181.30095 963.90412
1500.0000 -191.90161 -181.86027 10.04134 2.84125 -180.73892 957.17160
FREEZING PROCESS: loop number 7 T-loop= 926.00000000000000
main_MD> interactions number 7 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35333 -3.31446 -4.91832
force_rgl> df(natom) -4.12745 -5.31542 5.34117
1505.0000 -190.61805 -180.88294 9.73510 2.82192 -181.09476 958.20712
1510.0000 -191.67124 -181.65671 10.01453 2.78248 -181.82090 946.67282
1515.0000 -192.28661 -182.08232 10.20429 2.78144 -181.84011 926.17564
1520.0000 -191.80476 -181.48511 10.31965 2.79362 -181.61587 951.02620
1525.0000 -190.63668 -181.72540 8.91128 2.73100 -182.76867 913.36930
1530.0000 -191.14555 -181.07552 10.07002 2.79830 -181.52954 943.58806
1535.0000 -192.70380 -182.52286 10.18094 2.82167 -181.09926 947.94695
1540.0000 -190.29994 -182.05927 8.24067 2.75026 -182.41408 888.95969
1545.0000 -190.64130 -181.30804 9.33325 2.76873 -182.07397 909.53408
1550.0000 -193.26985 -183.92091 9.34894 2.74431 -182.52361 917.08722
1555.0000 -191.26755 -181.67793 9.58962 2.74706 -182.47303 903.61784
1560.0000 -189.74235 -179.56335 10.17901 2.88091 -180.00860 975.58212
1565.0000 -191.79590 -182.14888 9.64702 2.79051 -181.67301 946.62091
1570.0000 -192.72273 -184.41691 8.30583 2.71878 -182.99363 891.24093
1575.0000 -193.73804 -183.22858 10.50946 2.66497 -183.98447 852.78395
1580.0000 -191.03945 -181.85790 9.18156 2.75818 -182.26826 916.15440
1585.0000 -193.11761 -185.06615 8.05145 2.65125 -184.23697 828.55129
1590.0000 -192.99277 -183.70981 9.28296 2.62488 -184.72253 810.10988
1595.0000 -190.93980 -182.20087 8.73893 2.76035 -182.22829 912.48311
1600.0000 -190.43648 -181.78781 8.64866 2.76866 -182.07542 927.02980
1605.0000 -191.91416 -183.04095 8.87321 2.74285 -182.55062 885.73635
1610.0000 -192.18351 -181.10354 11.07997 2.77815 -181.90061 922.10942
1615.0000 -188.40301 -178.58194 9.82107 2.84643 -180.64341 970.53624
1620.0000 -191.56975 -180.79136 10.77839 2.88740 -179.88914 995.95045
1625.0000 -191.04065 -180.71021 10.33045 2.84590 -180.65325 934.95329
1630.0000 -191.77675 -182.18951 9.58724 2.76959 -182.05829 906.73889
1635.0000 -191.63217 -182.94269 8.68948 2.78567 -181.76223 919.21384
1640.0000 -190.62261 -181.92447 8.69814 2.75070 -182.40607 924.84421
1645.0000 -190.96627 -182.05308 8.91319 2.76649 -182.11535 916.67340
1650.0000 -191.20149 -183.09552 8.10597 2.72644 -182.85272 871.23603
1655.0000 -190.56473 -182.01952 8.54521 2.74402 -182.52905 893.61348
1660.0000 -190.87809 -182.54630 8.33179 2.75536 -182.32021 886.97390
1665.0000 -191.27635 -183.54802 7.72833 2.69963 -183.34635 871.24459
1670.0000 -191.80936 -181.65503 10.15433 2.76882 -182.07240 903.59467
1675.0000 -192.52467 -183.63215 8.89252 2.76345 -182.17130 935.60319
1680.0000 -193.11543 -183.49355 9.62188 2.67978 -183.71170 887.47995
1685.0000 -192.22653 -182.41051 9.81602 2.69413 -183.44757 879.94383
1690.0000 -191.34658 -182.26501 9.08156 2.73022 -182.78308 908.89157
1695.0000 -190.31604 -182.66834 7.64770 2.80633 -181.38182 935.49385
1700.0000 -190.03913 -179.01697 11.02216 2.80459 -181.41385 949.91299
1705.0000 -189.35926 -180.09311 9.26615 2.85890 -180.41386 965.96254
1710.0000 -191.00886 -180.86810 10.14076 2.89039 -179.83419 993.11302
1715.0000 -190.46468 -182.02417 8.44051 2.79328 -181.62206 935.21502
1720.0000 -187.07487 -178.37433 8.70054 2.87853 -180.05247 988.90472
1725.0000 -191.75074 -181.79166 9.95908 2.87222 -180.16868 993.70334
1730.0000 -189.81997 -179.90681 9.91316 2.82411 -181.05447 975.76531
1735.0000 -191.29089 -183.16690 8.12399 2.76423 -182.15681 907.18599
1740.0000 -191.90454 -183.06693 8.83761 2.70577 -183.23324 881.66950
1745.0000 -192.43678 -182.44250 9.99428 2.68805 -183.55942 856.62996
1750.0000 -190.92429 -183.50321 7.42107 2.68382 -183.63728 864.74428
FREEZING PROCESS: loop number 8 T-loop= 901.00000000000000
main_MD> interactions number 8 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.62044 0.16335 0.22284
force_rgl> df(natom) -2.72510 2.57638 -0.60438
1755.0000 -193.01955 -182.99383 10.02572 2.69684 -183.39762 866.69570
1760.0000 -193.25755 -185.01975 8.23780 2.66996 -183.89257 890.27706
1765.0000 -193.59387 -186.17379 7.42008 2.57982 -185.55217 803.70598
1770.0000 -192.26772 -183.90431 8.36340 2.58508 -185.45530 802.46603
1775.0000 -192.46172 -183.21003 9.25169 2.70648 -183.22020 867.29257
1780.0000 -192.88554 -183.15042 9.73513 2.75849 -182.26259 887.44170
1785.0000 -193.27115 -184.88726 8.38390 2.67282 -183.83988 871.72079
1790.0000 -193.68138 -185.18581 8.49557 2.60021 -185.17669 828.21910
1795.0000 -191.44667 -183.17888 8.26779 2.69870 -183.36337 902.66473
1800.0000 -191.30910 -183.86312 7.44598 2.73169 -182.75604 885.86314
1805.0000 -192.15132 -183.18904 8.96228 2.70388 -183.26811 868.20208
1810.0000 -193.39954 -184.47914 8.92040 2.69599 -183.41321 868.21045
1815.0000 -193.15951 -184.82039 8.33912 2.64694 -184.31631 864.65443
1820.0000 -191.17229 -181.14273 10.02956 2.72118 -182.94957 935.51131
1825.0000 -191.35705 -182.26062 9.09643 2.77976 -181.87089 950.15565
1830.0000 -191.52528 -182.27467 9.25061 2.68438 -183.62700 862.98888
1835.0000 -193.33480 -184.75451 8.58029 2.65062 -184.24859 841.87712
1840.0000 -194.93526 -186.11081 8.82444 2.58155 -185.52036 814.78810
1845.0000 -192.09752 -184.62411 7.47341 2.56760 -185.77707 794.42621
1850.0000 -193.55164 -183.99965 9.55199 2.63813 -184.47861 838.69382
1855.0000 -192.49408 -183.14252 9.35156 2.76383 -182.16421 935.65685
1860.0000 -191.90599 -181.01765 10.88834 2.75325 -182.35914 928.97156
1865.0000 -191.73718 -183.30499 8.43219 2.77922 -181.88084 927.25269
1870.0000 -189.96272 -179.52501 10.43771 2.78012 -181.86434 922.03368
1875.0000 -191.83693 -181.83143 10.00550 2.82778 -180.98680 957.85667
1880.0000 -192.58797 -182.47877 10.10920 2.73454 -182.70352 888.90854
1885.0000 -194.47240 -186.24983 8.22257 2.62153 -184.78425 833.29144
1890.0000 -194.61895 -185.30786 9.31109 2.56490 -185.82683 779.73927
1895.0000 -192.21460 -183.01107 9.20353 2.64517 -184.34897 830.63558
1900.0000 -191.83818 -183.78503 8.05315 2.66026 -184.07113 855.38072
1905.0000 -191.55631 -181.41680 10.13951 2.72412 -182.89545 901.54460
1910.0000 -191.72725 -182.40601 9.32123 2.77534 -181.95241 927.67439
1915.0000 -191.45455 -180.96002 10.49453 2.73379 -182.71735 916.22335
1920.0000 -190.31743 -181.45640 8.86103 2.80481 -181.40981 925.96706
1925.0000 -192.25254 -181.07290 11.17964 2.88600 -179.91495 989.66697
1930.0000 -189.69897 -179.40237 10.29661 2.84394 -180.68942 970.55944
1935.0000 -192.21102 -182.52885 9.68217 2.81555 -181.21195 930.23824
1940.0000 -191.52857 -182.67684 8.85173 2.71414 -183.07915 877.99339
1945.0000 -191.74676 -182.62963 9.11714 2.70088 -183.32318 827.56708
1950.0000 -193.92760 -184.27270 9.65490 2.62673 -184.68841 851.25594
1955.0000 -192.12555 -183.66092 8.46463 2.66327 -184.01571 861.01122
1960.0000 -191.03984 -181.53888 9.50096 2.72731 -182.83663 887.12272
1965.0000 -192.35514 -182.76526 9.58988 2.76131 -182.21066 919.73298
1970.0000 -192.37666 -182.93565 9.44101 2.71239 -183.11131 860.90426
1975.0000 -192.87182 -183.98382 8.88800 2.75975 -182.23930 930.49803
1980.0000 -191.43806 -183.87510 7.56296 2.69806 -183.37509 871.59221
1985.0000 -190.61354 -181.87860 8.73493 2.71877 -182.99396 845.18889
1990.0000 -192.98339 -183.84240 9.14099 2.70510 -183.24551 879.96535
1995.0000 -192.50479 -184.57001 7.93478 2.68994 -183.52477 853.92030
2000.0000 -194.59737 -184.57692 10.02045 2.67575 -183.78586 866.12559
FREEZING PROCESS: loop number 9 T-loop= 876.00000000000000
main_MD> interactions number 9 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38683 0.42130 1.37994
force_rgl> df(natom) -3.00472 2.28919 -0.33858
2005.0000 -193.04564 -183.91009 9.13554 2.67098 -183.87371 863.74880
2010.0000 -192.75367 -183.63426 9.11940 2.64537 -184.34533 847.27119
2015.0000 -193.36323 -184.73954 8.62369 2.70836 -183.18553 879.09114
2020.0000 -194.08000 -185.42969 8.65032 2.61127 -184.97314 808.34860
2025.0000 -192.92152 -185.47573 7.44579 2.59537 -185.26590 811.67409
2030.0000 -192.94610 -184.15028 8.79582 2.68959 -183.53109 840.17390
2035.0000 -193.41149 -184.75486 8.65662 2.64757 -184.30469 828.34344
2040.0000 -192.25741 -182.70743 9.54998 2.64773 -184.30178 845.00895
2045.0000 -194.45902 -184.65157 9.80745 2.67064 -183.87996 850.20130
2050.0000 -192.90224 -184.27762 8.62462 2.66394 -184.00346 875.30444
2055.0000 -190.89754 -182.63153 8.26601 2.67607 -183.78001 857.94811
2060.0000 -191.83437 -183.55543 8.27894 2.70989 -183.15731 861.63772
2065.0000 -191.59596 -183.66565 7.93031 2.69337 -183.46156 888.01411
2070.0000 -191.91338 -183.65049 8.26289 2.69392 -183.45142 856.36591
2075.0000 -194.55748 -186.78556 7.77192 2.58600 -185.43839 806.56592
2080.0000 -193.61806 -185.76953 7.84853 2.53600 -186.35895 786.02292
2085.0000 -192.13051 -183.74193 8.38859 2.65363 -184.19311 863.30977
2090.0000 -193.74449 -184.53598 9.20852 2.61479 -184.90832 815.71237
2095.0000 -191.91773 -183.56119 8.35654 2.61716 -184.86461 826.21388
2100.0000 -192.19957 -184.10279 8.09678 2.70434 -183.25954 887.58499
2105.0000 -191.85835 -182.80089 9.05746 2.69128 -183.50000 872.93064
2110.0000 -192.43936 -183.13626 9.30310 2.70916 -183.17085 867.37819
2115.0000 -193.17983 -182.38449 10.79534 2.71932 -182.98384 895.73712
2120.0000 -190.52063 -181.55670 8.96393 2.71402 -183.08127 910.17115
2125.0000 -190.99469 -182.58814 8.40655 2.74309 -182.54620 899.57290
2130.0000 -191.78385 -183.17846 8.60539 2.73816 -182.63689 911.79794
2135.0000 -191.66344 -180.10879 11.55464 2.77233 -182.00773 929.50325
2140.0000 -192.10765 -181.98403 10.12363 2.79163 -181.65243 936.40944
2145.0000 -188.02245 -181.01433 7.00812 2.78427 -181.78798 914.42894
2150.0000 -190.68021 -181.95368 8.72654 2.77927 -181.87997 916.65339
2155.0000 -191.92163 -182.69724 9.22439 2.72834 -182.81760 899.83427
2160.0000 -192.51446 -182.88727 9.62719 2.75809 -182.27003 904.18169
2165.0000 -191.93836 -182.74529 9.19306 2.72747 -182.83361 904.44126
2170.0000 -190.54281 -182.02542 8.51740 2.77713 -181.91936 926.78781
2175.0000 -190.19123 -182.05380 8.13743 2.72877 -182.80984 894.49390
2180.0000 -191.21176 -181.33935 9.87241 2.78827 -181.71438 940.83688
2185.0000 -191.79205 -182.92212 8.86994 2.80870 -181.33817 903.84198
2190.0000 -193.91768 -184.28604 9.63165 2.68324 -183.64810 838.21770
2195.0000 -192.00823 -182.85933 9.14890 2.69560 -183.42048 864.06408
2200.0000 -191.76263 -181.37303 10.38959 2.77159 -182.02141 904.09486
2205.0000 -192.53744 -183.38523 9.15221 2.73782 -182.64319 902.83208
2210.0000 -193.27869 -185.16556 8.11313 2.63274 -184.57780 801.05074
2215.0000 -193.64913 -184.16185 9.48728 2.59554 -185.26261 811.89772
2220.0000 -192.81627 -184.55736 8.25891 2.59520 -185.26901 820.47360
2225.0000 -193.06520 -183.63402 9.43118 2.67865 -183.73254 851.01508
2230.0000 -192.66372 -183.33243 9.33129 2.65768 -184.11858 853.54479
2235.0000 -192.27693 -183.83862 8.43831 2.72010 -182.96939 896.12437
2240.0000 -192.82926 -183.67346 9.15580 2.64999 -184.26016 835.18366
2245.0000 -193.78625 -186.42267 7.36358 2.61787 -184.85152 833.51038
2250.0000 -194.12827 -185.80692 8.32135 2.52494 -186.56263 767.83133
FREEZING PROCESS: loop number 10 T-loop= 851.00000000000000
main_MD> interactions number 10 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.83324 2.75019 -0.98436
force_rgl> df(natom) 0.59064 -0.98426 -0.73942
2255.0000 -193.92755 -185.56245 8.36511 2.59589 -185.25623 827.15269
2260.0000 -194.57269 -185.47353 9.09916 2.61129 -184.97265 808.45986
2265.0000 -194.35441 -185.32177 9.03264 2.58235 -185.50561 793.73391
2270.0000 -192.63265 -183.52668 9.10597 2.67105 -183.87246 878.04126
2275.0000 -191.96449 -183.53683 8.42766 2.68652 -183.58771 860.11371
2280.0000 -193.28573 -183.75235 9.53338 2.62539 -184.71319 817.60823
2285.0000 -192.48000 -183.50827 8.97173 2.67434 -183.81185 866.64589
2290.0000 -193.04721 -184.87729 8.16991 2.69242 -183.47907 861.91737
2295.0000 -194.93623 -187.74873 7.18751 2.51049 -186.82858 757.87818
2300.0000 -193.43616 -184.72603 8.71013 2.56355 -185.85171 815.72993
2305.0000 -192.89419 -184.13964 8.75456 2.65796 -184.11344 854.19655
2310.0000 -193.02715 -183.51370 9.51344 2.68154 -183.67941 855.25437
2315.0000 -192.66914 -184.67154 7.99760 2.65626 -184.14480 862.64795
2320.0000 -192.83238 -183.80849 9.02389 2.65919 -184.09085 843.96294
2325.0000 -193.81983 -184.19466 9.62517 2.65542 -184.16023 816.66734
2330.0000 -190.13500 -181.99357 8.14143 2.73789 -182.64186 893.34308
2335.0000 -192.46072 -184.76357 7.69715 2.72362 -182.90454 912.95146
2340.0000 -191.91126 -182.87570 9.03556 2.67954 -183.71607 856.31141
2345.0000 -193.06618 -184.65529 8.41089 2.72372 -182.90273 887.76509
2350.0000 -193.72754 -184.88733 8.84021 2.63728 -184.49427 815.89853
2355.0000 -194.24248 -185.47036 8.77212 2.62764 -184.67170 808.59400
2360.0000 -194.66063 -185.68415 8.97648 2.61903 -184.83014 818.02088
2365.0000 -193.86865 -185.31001 8.55864 2.54309 -186.22837 772.33886
2370.0000 -193.27464 -184.95274 8.32191 2.59310 -185.30765 814.97196
2375.0000 -193.11765 -183.54616 9.57149 2.65796 -184.11338 885.17080
2380.0000 -193.29599 -185.57516 7.72083 2.61205 -184.95879 845.19810
2385.0000 -193.09793 -184.35219 8.74574 2.61983 -184.81540 805.37279
2390.0000 -192.25822 -183.08747 9.17075 2.71251 -183.10913 897.58863
2395.0000 -193.33564 -184.20063 9.13501 2.70139 -183.31387 877.40421
2400.0000 -191.64016 -183.51145 8.12872 2.63455 -184.54456 833.91525
2405.0000 -192.43455 -184.17347 8.26107 2.67408 -183.81666 876.64377
2410.0000 -192.65943 -183.35853 9.30091 2.65023 -184.25570 843.18850
2415.0000 -193.36195 -184.78641 8.57555 2.67629 -183.77602 869.56920
2420.0000 -192.58711 -184.94340 7.64372 2.63527 -184.53114 832.07795
2425.0000 -191.74864 -182.69581 9.05283 2.65001 -184.25985 851.28669
2430.0000 -192.01942 -184.27431 7.74511 2.71014 -183.15269 861.19950
2435.0000 -192.84348 -184.52469 8.31880 2.63442 -184.54685 815.15227
2440.0000 -192.56024 -183.75316 8.80707 2.63068 -184.61573 829.06905
2445.0000 -193.14387 -184.46873 8.67514 2.67344 -183.82838 852.54688
2450.0000 -192.89194 -183.84103 9.05091 2.62856 -184.65472 840.30119
2455.0000 -192.44980 -184.17321 8.27659 2.64672 -184.32037 851.53911
2460.0000 -194.29714 -186.28440 8.01274 2.63975 -184.44869 843.19935
2465.0000 -192.17876 -184.06228 8.11648 2.64996 -184.26084 844.33474
2470.0000 -192.14125 -184.62172 7.51952 2.65258 -184.21259 855.54605
2475.0000 -193.21728 -184.75609 8.46120 2.63396 -184.55531 829.03589
2480.0000 -192.04199 -184.53858 7.50342 2.65182 -184.22656 841.23649
2485.0000 -193.41306 -185.14421 8.26885 2.62504 -184.71955 819.05873
2490.0000 -194.08707 -185.42359 8.66347 2.59666 -185.24210 827.36765
2495.0000 -195.03520 -186.09869 8.93651 2.61054 -184.98655 837.14837
2500.0000 -190.56503 -183.12830 7.43672 2.59662 -185.24276 801.15575
FREEZING PROCESS: loop number 11 T-loop= 826.00000000000000
main_MD> interactions number 11 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.87090 0.91157 -1.72632
force_rgl> df(natom) -0.11025 1.36221 -3.32341
2505.0000 -192.53548 -183.50231 9.03317 2.70807 -183.19093 859.42412
2510.0000 -190.46230 -181.48249 8.97980 2.75408 -182.34369 908.97455
2515.0000 -192.25852 -183.90971 8.34881 2.76754 -182.09590 916.39444
2520.0000 -193.93612 -186.24051 7.69560 2.59980 -185.18427 850.92011
2525.0000 -193.38296 -186.37576 7.00720 2.52152 -186.62559 762.52892
2530.0000 -195.59054 -188.87191 6.71862 2.47160 -187.54469 717.96434
2535.0000 -193.53738 -185.85271 7.68467 2.50186 -186.98746 761.17948
2540.0000 -195.41855 -186.61466 8.80389 2.54237 -186.24167 775.64283
2545.0000 -194.92160 -187.71584 7.20576 2.50473 -186.93467 777.68734
2550.0000 -195.48775 -188.31950 7.16825 2.47877 -187.41265 736.23424
2555.0000 -193.23302 -187.07913 6.15389 2.49583 -187.09857 736.80367
2560.0000 -192.82893 -185.01498 7.81395 2.59873 -185.20406 806.85567
2565.0000 -195.18525 -187.00944 8.17580 2.60032 -185.17463 827.11306
2570.0000 -194.66888 -187.21419 7.45469 2.53462 -186.38433 771.96215
2575.0000 -193.68238 -185.99786 7.68452 2.53827 -186.31709 767.95051
2580.0000 -193.65986 -185.48171 8.17815 2.59856 -185.20703 802.23448
2585.0000 -193.09607 -183.93830 9.15777 2.63314 -184.57043 810.52544
2590.0000 -192.87533 -183.90716 8.96817 2.66430 -183.99667 830.84233
2595.0000 -192.38948 -183.73714 8.65234 2.69248 -183.47798 837.12097
2600.0000 -192.57363 -184.47872 8.09491 2.66687 -183.94940 870.31943
2605.0000 -193.28955 -185.14883 8.14072 2.65204 -184.22252 858.08425
2610.0000 -193.85129 -185.23901 8.61227 2.58460 -185.46415 792.13040
2615.0000 -192.42151 -184.08418 8.33733 2.62129 -184.78869 790.43962
2620.0000 -191.87616 -183.34799 8.52817 2.66489 -183.98594 824.77003
2625.0000 -192.76771 -183.75037 9.01734 2.68395 -183.63504 878.96112
2630.0000 -194.01089 -185.32522 8.68567 2.64851 -184.28746 813.74697
2635.0000 -192.50951 -184.61469 7.89482 2.57818 -185.58225 799.76243
2640.0000 -191.55741 -183.48869 8.06872 2.65500 -184.16799 830.47672
2645.0000 -190.69495 -181.88109 8.81386 2.70309 -183.28259 851.19906
2650.0000 -193.00146 -185.35300 7.64845 2.64037 -184.43724 828.65404
2655.0000 -192.49067 -183.10350 9.38717 2.64948 -184.26959 841.48116
2660.0000 -192.60540 -184.97066 7.63474 2.64080 -184.42945 841.57864
2665.0000 -193.98168 -186.54161 7.44008 2.55120 -186.07913 788.77104
2670.0000 -194.18509 -186.06266 8.12242 2.50872 -186.86111 763.98988
2675.0000 -193.20071 -183.92643 9.27427 2.62094 -184.79504 849.92929
2680.0000 -194.02174 -185.32963 8.69211 2.63124 -184.60541 845.48976
2685.0000 -192.71662 -183.00930 9.70732 2.63086 -184.61238 834.15156
2690.0000 -193.90969 -184.40362 9.50607 2.62901 -184.64643 811.06221
2695.0000 -193.13588 -184.63542 8.50046 2.58425 -185.47050 799.69214
2700.0000 -192.12726 -182.43181 9.69545 2.67900 -183.72614 852.88096
2705.0000 -190.53354 -182.46611 8.06743 2.76819 -182.08394 917.34894
2710.0000 -192.04703 -183.41389 8.63314 2.78126 -181.84335 931.43189
2715.0000 -193.63148 -185.26222 8.36926 2.61221 -184.95575 833.97910
2720.0000 -193.64142 -184.96505 8.67637 2.60702 -185.05127 790.09505
2725.0000 -193.92759 -185.87913 8.04846 2.59790 -185.21920 825.15290
2730.0000 -192.21743 -184.87105 7.34638 2.59018 -185.36148 805.46314
2735.0000 -192.92423 -184.13144 8.79279 2.65217 -184.22007 838.15423
2740.0000 -194.08204 -185.72488 8.35716 2.62474 -184.72516 843.71975
2745.0000 -194.01704 -186.89380 7.12325 2.48173 -187.35817 750.70925
2750.0000 -192.52639 -186.07529 6.45111 2.52729 -186.51926 751.49574
FREEZING PROCESS: loop number 12 T-loop= 801.00000000000000
main_MD> interactions number 12 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20200 3.26755 -1.07805
force_rgl> df(natom) 4.50682 1.18333 0.03652
2755.0000 -194.77379 -187.91790 6.85589 2.52418 -186.57660 748.59226
2760.0000 -193.50909 -185.62123 7.88786 2.52926 -186.48297 751.72059
2765.0000 -194.61252 -187.56983 7.04270 2.54839 -186.13075 780.85855
2770.0000 -195.29078 -186.97280 8.31799 2.48525 -187.29333 739.29738
2775.0000 -193.49061 -185.99448 7.49613 2.51597 -186.72771 778.42145
2780.0000 -195.17925 -187.03064 8.14861 2.55672 -185.97752 778.50424
2785.0000 -194.66183 -186.37953 8.28230 2.51374 -186.76867 770.01181
2790.0000 -194.24364 -186.04485 8.19879 2.55501 -186.00882 798.48664
2795.0000 -192.12177 -183.89139 8.23038 2.66619 -183.96201 846.37139
2800.0000 -191.95874 -181.99404 9.96470 2.71035 -183.14895 889.18700
2805.0000 -190.84036 -181.83082 9.00954 2.85030 -180.57229 983.51992
2810.0000 -192.74961 -185.42908 7.32054 2.67947 -183.71750 848.84117
2815.0000 -193.56387 -186.04542 7.51845 2.54399 -186.21189 793.37026
2820.0000 -192.51130 -185.38270 7.12859 2.58526 -185.45197 805.55292
2825.0000 -195.32100 -186.76336 8.55764 2.52488 -186.56358 777.16522
2830.0000 -194.51315 -186.85088 7.66227 2.54110 -186.26503 771.55768
2835.0000 -192.89388 -185.05386 7.84002 2.55135 -186.07622 793.34702
2840.0000 -193.28223 -185.75181 7.53042 2.55141 -186.07521 786.10105
2845.0000 -194.98669 -186.04461 8.94208 2.57773 -185.59060 780.03199
2850.0000 -194.00330 -184.95386 9.04945 2.54977 -186.10533 788.65679
2855.0000 -192.72364 -183.91338 8.81027 2.62978 -184.63230 847.11373
2860.0000 -195.05554 -185.35853 9.69701 2.57766 -185.59198 812.20288
2865.0000 -194.38880 -185.61103 8.77777 2.57803 -185.58514 789.09403
2870.0000 -193.15162 -185.09608 8.05555 2.61505 -184.90348 818.39544
2875.0000 -193.50526 -185.43359 8.07167 2.62379 -184.74252 849.54471
2880.0000 -192.89230 -184.74497 8.14733 2.59352 -185.29989 788.83727
2885.0000 -195.18436 -186.44304 8.74132 2.61941 -184.82323 808.92610
2890.0000 -195.09819 -187.29384 7.80435 2.50604 -186.91053 765.32906
2895.0000 -194.58520 -188.12618 6.45901 2.44328 -188.06595 718.79930
2900.0000 -194.40663 -186.34140 8.06523 2.53519 -186.37387 762.13461
2905.0000 -195.29397 -187.02096 8.27301 2.49975 -187.02632 734.87090
2910.0000 -194.89254 -187.30290 7.58964 2.52374 -186.58462 760.08186
2915.0000 -194.88335 -188.16428 6.71907 2.43625 -188.19539 679.82513
2920.0000 -192.22590 -184.38710 7.83881 2.51001 -186.83747 751.06060
2925.0000 -192.51327 -183.33257 9.18070 2.66262 -184.02766 849.72346
2930.0000 -192.00788 -183.27959 8.72830 2.66055 -184.06574 841.48222
2935.0000 -192.60197 -184.70640 7.89557 2.63240 -184.58399 814.28108
2940.0000 -192.60478 -184.94712 7.65766 2.63752 -184.48981 810.59070
2945.0000 -193.28931 -185.30697 7.98234 2.58179 -185.51580 779.83456
2950.0000 -194.51954 -185.48454 9.03501 2.62907 -184.64533 839.45036
2955.0000 -194.04832 -185.29662 8.75170 2.60655 -185.06005 831.04242
2960.0000 -194.26069 -186.39730 7.86340 2.58051 -185.53951 794.43946
2965.0000 -194.54711 -186.77553 7.77159 2.52768 -186.51206 751.00476
2970.0000 -195.53144 -187.33658 8.19486 2.50205 -186.98393 735.30683
2975.0000 -192.66573 -185.23482 7.43091 2.53563 -186.36580 740.76054
2980.0000 -193.46870 -186.30786 7.16084 2.56006 -185.91593 779.91883
2985.0000 -193.93749 -184.16867 9.76883 2.55986 -185.91959 780.03630
2990.0000 -193.42261 -184.92582 8.49679 2.63668 -184.50527 843.66475
2995.0000 -192.23174 -184.39233 7.83941 2.63388 -184.55678 828.16764
3000.0000 -192.13473 -184.35595 7.77878 2.68019 -183.70421 864.23855
FREEZING PROCESS: loop number 13 T-loop= 776.00000000000000
main_MD> interactions number 13 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59233 -4.08736 -0.83800
force_rgl> df(natom) -0.49694 -1.73755 -0.32401
3005.0000 -192.71799 -185.47688 7.24111 2.62503 -184.71982 816.47608
3010.0000 -193.57926 -185.71757 7.86170 2.56128 -185.89354 772.41333
3015.0000 -193.69118 -185.96023 7.73094 2.58245 -185.50375 804.21253
3020.0000 -194.15517 -186.85253 7.30263 2.52219 -186.61323 743.41211
3025.0000 -194.15101 -188.31564 5.83536 2.43028 -188.30532 683.46987
3030.0000 -195.79452 -186.95925 8.83527 2.45366 -187.87489 718.76062
3035.0000 -194.60861 -185.99571 8.61290 2.52462 -186.56849 769.94562
3040.0000 -192.67744 -185.14587 7.53156 2.56202 -185.87991 771.81525
3045.0000 -193.84664 -185.28438 8.56226 2.62387 -184.74109 838.56801
3050.0000 -195.08942 -186.92396 8.16546 2.58389 -185.47725 793.74008
3055.0000 -195.55358 -187.57089 7.98269 2.49196 -187.16968 754.09933
3060.0000 -193.81280 -184.94230 8.87049 2.50150 -186.99412 747.16638
3065.0000 -194.09908 -185.82487 8.27421 2.53243 -186.42460 770.70237
3070.0000 -194.28381 -185.77410 8.50971 2.55015 -186.09841 797.60624
3075.0000 -193.59198 -185.51727 8.07471 2.59096 -185.34699 820.02777
3080.0000 -195.22195 -187.62858 7.59336 2.56117 -185.89542 796.81620
3085.0000 -195.19050 -186.62752 8.56297 2.52203 -186.61603 755.52263
3090.0000 -194.20389 -186.82288 7.38101 2.53889 -186.30578 777.23275
3095.0000 -195.00567 -187.73149 7.27419 2.45941 -187.76905 725.27776
3100.0000 -194.28858 -185.85902 8.42956 2.48926 -187.21950 746.30364
3105.0000 -194.10028 -186.96367 7.13661 2.57103 -185.71392 785.72618
3110.0000 -193.81579 -186.30964 7.50615 2.50312 -186.96427 761.22863
3115.0000 -194.73611 -186.97599 7.76012 2.50829 -186.86908 758.90898
3120.0000 -195.77599 -187.44522 8.33077 2.51553 -186.73588 760.20770
3125.0000 -194.16412 -186.88819 7.27594 2.47717 -187.44198 744.24107
3130.0000 -195.47548 -187.68748 7.78800 2.50542 -186.92202 739.81107
3135.0000 -196.05387 -188.49924 7.55463 2.45296 -187.88770 716.96015
3140.0000 -195.44405 -187.01045 8.43360 2.49534 -187.10757 742.39847
3145.0000 -194.74955 -186.47326 8.27630 2.50766 -186.88078 765.77826
3150.0000 -194.11238 -185.99271 8.11967 2.55428 -186.02237 771.06626
3155.0000 -194.60120 -185.30083 9.30037 2.58926 -185.37836 801.20968
3160.0000 -194.72524 -187.18007 7.54517 2.48095 -187.37248 733.01634
3165.0000 -194.78752 -186.61617 8.17134 2.51148 -186.81039 732.64405
3170.0000 -196.13316 -188.34392 7.78924 2.49428 -187.12707 747.52708
3175.0000 -194.71088 -187.42665 7.28423 2.44839 -187.97190 720.40549
3180.0000 -196.48422 -188.40021 8.08401 2.47964 -187.39664 743.91732
3185.0000 -196.08442 -188.61069 7.47373 2.42133 -188.47009 700.87913
3190.0000 -196.60896 -189.44582 7.16314 2.41088 -188.66259 708.30039
3195.0000 -195.12472 -188.45390 6.67081 2.39203 -189.00954 676.84968
3200.0000 -195.07836 -187.61598 7.46238 2.44693 -187.99890 711.73621
3205.0000 -195.43833 -188.25581 7.18252 2.46922 -187.58846 736.29002
3210.0000 -196.14029 -190.01361 6.12669 2.42526 -188.39777 714.21027
3215.0000 -196.39266 -188.54164 7.85102 2.39612 -188.93423 706.43302
3220.0000 -194.41049 -187.51405 6.89644 2.42415 -188.41817 722.66467
3225.0000 -194.28104 -186.37602 7.90502 2.45657 -187.82135 733.91389
3230.0000 -193.92092 -185.78476 8.13617 2.53415 -186.39305 762.29129
3235.0000 -194.91291 -187.19395 7.71896 2.54915 -186.11675 770.40113
3240.0000 -192.89872 -184.38867 8.51005 2.54249 -186.23952 793.63273
3245.0000 -194.79870 -184.95305 9.84565 2.61549 -184.89542 824.09258
3250.0000 -192.64944 -184.52231 8.12713 2.61886 -184.83332 817.09916
FREEZING PROCESS: loop number 14 T-loop= 751.00000000000000
main_MD> interactions number 14 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32319 -0.69250 -1.25067
force_rgl> df(natom) 0.23915 2.34438 1.38291
3255.0000 -193.35744 -185.47607 7.88137 2.64129 -184.42033 823.46850
3260.0000 -192.83499 -185.36883 7.46616 2.55431 -186.02187 749.31269
3265.0000 -193.35552 -185.17460 8.18091 2.60468 -185.09447 790.10786
3270.0000 -191.75680 -182.95514 8.80166 2.67208 -183.85346 840.28542
3275.0000 -192.93021 -185.08605 7.84417 2.68100 -183.68925 882.66834
3280.0000 -193.46217 -184.25461 9.20756 2.62516 -184.71740 819.39157
3285.0000 -195.39434 -186.51983 8.87451 2.55735 -185.96576 780.23583
3290.0000 -195.00483 -188.20934 6.79548 2.43731 -188.17594 722.24259
3295.0000 -195.87566 -188.37537 7.50030 2.47634 -187.45737 729.61914
3300.0000 -195.33044 -187.51503 7.81541 2.42415 -188.41814 699.49347
3305.0000 -192.19625 -184.50538 7.69088 2.54426 -186.20692 778.43631
3310.0000 -192.77661 -186.24575 6.53086 2.56490 -185.82683 823.03790
3315.0000 -194.05494 -186.10832 7.94662 2.54696 -186.15712 760.23434
3320.0000 -193.71483 -185.56941 8.14542 2.54881 -186.12304 764.61081
3325.0000 -193.45821 -185.97366 7.48455 2.57105 -185.71366 776.73413
3330.0000 -192.58747 -185.18031 7.40716 2.60437 -185.10012 809.51642
3335.0000 -193.81995 -185.13715 8.68279 2.53497 -186.37790 767.54056
3340.0000 -195.16614 -188.19851 6.96763 2.48329 -187.32931 724.61102
3345.0000 -195.18248 -188.04238 7.14011 2.44527 -188.02938 709.63609
3350.0000 -195.08605 -188.96073 6.12532 2.41008 -188.67735 681.29430
3355.0000 -195.68675 -187.65519 8.03156 2.47028 -187.56886 741.58621
3360.0000 -194.60577 -187.75467 6.85111 2.48126 -187.36667 741.07595
3365.0000 -195.17562 -187.10966 8.06596 2.47098 -187.55605 757.85361
3370.0000 -195.02607 -188.30659 6.71948 2.42714 -188.36309 701.17931
3375.0000 -195.21551 -187.20939 8.00613 2.46750 -187.62016 729.67939
3380.0000 -194.79209 -187.60749 7.18460 2.48759 -187.25019 734.33545
3385.0000 -194.91569 -187.99216 6.92353 2.45582 -187.83504 738.89083
3390.0000 -196.20696 -188.99725 7.20971 2.44185 -188.09228 719.44796
3395.0000 -196.80805 -189.32527 7.48278 2.37206 -189.37735 687.24544
3400.0000 -194.05662 -187.78483 6.27179 2.40378 -188.79317 696.46123
3405.0000 -194.13889 -186.70414 7.43475 2.48122 -187.36756 712.44152
3410.0000 -194.48757 -186.21842 8.26915 2.53849 -186.31303 782.67769
3415.0000 -194.71872 -186.95187 7.76684 2.54508 -186.19171 777.02805
3420.0000 -193.94110 -187.26326 6.67783 2.48319 -187.33120 748.49215
3425.0000 -194.26685 -187.03985 7.22701 2.51216 -186.79778 771.03727
3430.0000 -194.68131 -186.60611 8.07519 2.49802 -187.05824 749.76037
3435.0000 -193.16923 -186.17495 6.99428 2.54690 -186.15817 768.00598
3440.0000 -194.62288 -186.76366 7.85922 2.49471 -187.11914 746.43312
3445.0000 -194.13952 -187.27198 6.86754 2.53539 -186.37012 767.73483
3450.0000 -195.26150 -188.31820 6.94330 2.46752 -187.61976 728.75548
3455.0000 -195.27077 -187.33725 7.93351 2.41035 -188.67234 678.22536
3460.0000 -195.93136 -188.31980 7.61156 2.45658 -187.82105 729.01810
3465.0000 -195.84837 -188.26004 7.58833 2.45185 -187.90814 725.69494
3470.0000 -193.67244 -186.42803 7.24441 2.48654 -187.26950 753.56724
3475.0000 -194.25922 -185.65796 8.60126 2.54060 -186.27419 795.03810
3480.0000 -193.78139 -184.16026 9.62112 2.57531 -185.63511 813.41309
3485.0000 -194.58062 -186.70452 7.87610 2.59801 -185.21730 789.68423
3490.0000 -195.54109 -187.42580 8.11529 2.52797 -186.50669 775.96336
3495.0000 -194.56355 -186.89670 7.66685 2.50557 -186.91924 756.76265
3500.0000 -194.98557 -186.24405 8.74152 2.50871 -186.86132 734.88707
FREEZING PROCESS: loop number 15 T-loop= 726.00000000000000
main_MD> interactions number 15 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.68655 4.22737 -3.21226
force_rgl> df(natom) -1.95468 0.79215 0.35336
3505.0000 -194.42885 -187.33442 7.09443 2.47640 -187.45629 751.07601
3510.0000 -193.95578 -187.01776 6.93802 2.44376 -188.05711 714.45030
3515.0000 -195.68798 -188.98631 6.70167 2.45722 -187.80929 736.65776
3520.0000 -195.26805 -189.00787 6.26018 2.40452 -188.77964 682.31409
3525.0000 -194.62314 -187.16554 7.45760 2.43239 -188.26657 687.60091
3530.0000 -194.16666 -186.08636 8.08030 2.47094 -187.55670 728.02440
3535.0000 -194.59504 -187.58425 7.01079 2.48624 -187.27503 718.18605
3540.0000 -194.56949 -188.16457 6.40491 2.46104 -187.73898 739.41649
3545.0000 -194.15746 -186.77800 7.37946 2.47985 -187.39262 744.08589
3550.0000 -195.76679 -187.96817 7.79863 2.47078 -187.55968 743.90021
3555.0000 -195.00647 -187.11467 7.89179 2.47398 -187.50070 736.36350
3560.0000 -194.56809 -187.80052 6.76757 2.46355 -187.69279 737.20533
3565.0000 -197.13700 -190.16702 6.96998 2.36895 -189.43459 657.75166
3570.0000 -197.09756 -190.57683 6.52073 2.32274 -190.28524 643.43829
3575.0000 -196.95882 -188.01231 8.94650 2.33609 -190.03960 663.41450
3580.0000 -194.16915 -186.50944 7.65971 2.47066 -187.56194 725.63987
3585.0000 -193.51724 -187.00182 6.51542 2.49145 -187.17910 748.20885
3590.0000 -196.17858 -188.22704 7.95154 2.47578 -187.46758 728.38299
3595.0000 -195.74985 -187.84778 7.90208 2.44244 -188.08152 728.85069
3600.0000 -194.19379 -186.44267 7.75112 2.46081 -187.74323 737.17816
3605.0000 -195.27980 -188.02019 7.25961 2.48212 -187.35095 749.89567
3610.0000 -196.14751 -188.22208 7.92543 2.42486 -188.40510 711.83869
3615.0000 -194.09616 -187.21841 6.87775 2.46747 -187.62063 725.03860
3620.0000 -195.02387 -187.05888 7.96498 2.46590 -187.64961 715.89079
3625.0000 -195.94048 -187.29825 8.64223 2.47799 -187.42697 743.01232
3630.0000 -194.77601 -187.42743 7.34858 2.51507 -186.74424 773.36885
3635.0000 -195.88855 -188.95600 6.93256 2.45010 -187.94046 709.63480
3640.0000 -194.04075 -186.46566 7.57508 2.43274 -188.26005 694.89519
3645.0000 -194.57422 -185.57123 9.00298 2.58011 -185.54675 814.13016
3650.0000 -194.50957 -187.89602 6.61355 2.47652 -187.45403 723.14605
3655.0000 -194.65811 -187.02419 7.63392 2.48503 -187.29725 752.07177
3660.0000 -194.28218 -186.84656 7.43562 2.50451 -186.93861 747.97722
3665.0000 -193.22112 -186.02665 7.19447 2.56056 -185.90679 785.25236
3670.0000 -196.08140 -187.81714 8.26425 2.50909 -186.85444 757.47967
3675.0000 -193.89864 -186.01785 7.88079 2.50925 -186.85144 745.86746
3680.0000 -194.80400 -186.66364 8.14035 2.50783 -186.87757 734.90332
3685.0000 -194.87432 -186.85077 8.02354 2.49517 -187.11072 746.21842
3690.0000 -192.96719 -184.83778 8.12940 2.51852 -186.68082 758.28421
3695.0000 -193.49079 -185.88682 7.60396 2.56678 -185.79228 795.97267
3700.0000 -195.04870 -186.28861 8.76010 2.55022 -186.09708 771.53001
3705.0000 -193.69169 -186.55272 7.13898 2.51911 -186.66979 711.60535
3710.0000 -193.75799 -186.44152 7.31647 2.51115 -186.81640 741.41904
3715.0000 -195.11207 -187.90354 7.20853 2.46237 -187.71461 739.16181
3720.0000 -196.15846 -189.20871 6.94975 2.41587 -188.57068 702.40918
3725.0000 -196.04329 -188.89907 7.14421 2.36499 -189.50739 659.63485
3730.0000 -194.09574 -186.92976 7.16599 2.41279 -188.62743 688.94048
3735.0000 -195.47542 -188.24459 7.23083 2.48914 -187.22167 746.83515
3740.0000 -195.80094 -188.90262 6.89831 2.41839 -188.52421 695.09735
3745.0000 -194.64779 -187.21379 7.43401 2.42159 -188.46537 714.22595
3750.0000 -195.40382 -187.86671 7.53711 2.49583 -187.09856 745.89167
FREEZING PROCESS: loop number 16 T-loop= 701.00000000000000
main_MD> interactions number 16 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41842 0.89569 -2.32702
force_rgl> df(natom) 0.28794 0.89101 1.52691
3755.0000 -193.98748 -187.45177 6.53571 2.46133 -187.73365 722.81729
3760.0000 -194.77902 -187.02873 7.75029 2.49654 -187.08534 745.96924
3765.0000 -195.28837 -187.89752 7.39086 2.47167 -187.54334 746.68500
3770.0000 -195.16273 -188.34329 6.81943 2.41782 -188.53480 702.63353
3775.0000 -195.25812 -187.45764 7.80048 2.42790 -188.34911 695.72826
3780.0000 -195.74934 -188.00601 7.74332 2.41235 -188.63540 722.68504
3785.0000 -195.71395 -187.66013 8.05382 2.39317 -188.98863 703.98762
3790.0000 -195.80650 -188.61827 7.18823 2.44833 -187.97295 729.13415
3795.0000 -195.52074 -189.34900 6.17174 2.40158 -188.83373 688.52010
3800.0000 -194.85225 -187.18982 7.66243 2.39161 -189.01735 664.86972
3805.0000 -193.47997 -186.19692 7.28305 2.45686 -187.81599 724.07329
3810.0000 -194.94698 -188.88751 6.05947 2.46979 -187.57786 726.31031
3815.0000 -195.85363 -188.61066 7.24297 2.41067 -188.66648 696.98310
3820.0000 -196.66038 -190.25848 6.40190 2.31809 -190.37084 640.74164
3825.0000 -196.97175 -190.41631 6.55545 2.29682 -190.76250 608.94932
3830.0000 -196.95290 -189.50974 7.44316 2.37251 -189.36890 685.20819
3835.0000 -195.58750 -188.51897 7.06853 2.41535 -188.58033 706.33203
3840.0000 -195.81606 -187.93754 7.87852 2.39378 -188.97736 685.54961
3845.0000 -195.28304 -187.55572 7.72732 2.45404 -187.86798 712.90267
3850.0000 -195.98993 -189.71296 6.27697 2.35401 -189.70950 663.67321
3855.0000 -197.01942 -190.37441 6.64501 2.33403 -190.07746 638.00424
3860.0000 -195.91787 -189.38668 6.53119 2.31654 -190.39944 625.66807
3865.0000 -195.80703 -188.79774 7.00929 2.36437 -189.51893 660.79864
3870.0000 -195.46174 -188.25464 7.20710 2.43377 -188.24109 692.08925
3875.0000 -197.13870 -189.66982 7.46888 2.38766 -189.09008 680.52727
3880.0000 -196.25933 -188.10538 8.15395 2.37474 -189.32790 658.28262
3885.0000 -195.98733 -188.86717 7.12015 2.42458 -188.41031 699.95200
3890.0000 -194.33269 -188.75679 5.57590 2.36967 -189.42132 630.80394
3895.0000 -194.96381 -187.24330 7.72052 2.43324 -188.25082 687.67997
3900.0000 -196.14317 -188.36629 7.77688 2.47467 -187.48804 720.04516
3905.0000 -197.03722 -190.03007 7.00716 2.40095 -188.84530 699.96497
3910.0000 -195.71605 -189.69109 6.02496 2.36790 -189.45390 674.72457
3915.0000 -195.12733 -188.57393 6.55340 2.43424 -188.23237 704.64012
3920.0000 -194.82515 -188.15572 6.66943 2.41340 -188.61607 674.86982
3925.0000 -196.24996 -188.08115 8.16881 2.42838 -188.34040 716.56627
3930.0000 -195.39710 -189.18895 6.20815 2.39572 -188.94160 704.74969
3935.0000 -196.11989 -189.27979 6.84010 2.35738 -189.64755 650.25699
3940.0000 -196.99843 -189.83484 7.16359 2.40886 -188.69981 670.90966
3945.0000 -194.47339 -187.92156 6.55183 2.38952 -189.05588 684.56809
3950.0000 -196.34344 -188.80815 7.53529 2.41489 -188.58867 703.16454
3955.0000 -197.15116 -188.96268 8.18848 2.37048 -189.40640 684.90506
3960.0000 -196.04258 -189.49113 6.55145 2.37575 -189.30925 683.66166
3965.0000 -196.30535 -187.91433 8.39103 2.40684 -188.73696 685.67657
3970.0000 -195.65323 -188.68011 6.97313 2.40720 -188.73036 682.90120
3975.0000 -195.11839 -187.97842 7.13998 2.44410 -188.05085 734.03532
3980.0000 -195.14998 -187.70761 7.44238 2.42982 -188.31386 723.34424
3985.0000 -195.13979 -188.12893 7.01085 2.48465 -187.30441 732.04744
3990.0000 -196.83386 -188.65046 8.18340 2.45323 -187.88280 714.35029
3995.0000 -196.30336 -189.69885 6.60451 2.37846 -189.25935 688.70092
4000.0000 -194.87140 -188.08214 6.78926 2.39097 -189.02917 659.75763
FREEZING PROCESS: loop number 17 T-loop= 676.00000000000000
main_MD> interactions number 17 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23424 1.08448 3.43677
force_rgl> df(natom) -0.58138 0.81472 0.15744
4005.0000 -196.60473 -189.90288 6.70185 2.39940 -188.87390 666.83172
4010.0000 -195.47085 -189.01714 6.45371 2.38916 -189.06251 673.70621
4015.0000 -195.40408 -187.06775 8.33633 2.47230 -187.53175 749.91006
4020.0000 -196.61974 -190.11476 6.50498 2.43262 -188.26226 702.21156
4025.0000 -196.38576 -189.25338 7.13237 2.35421 -189.70598 647.88200
4030.0000 -195.43599 -188.97534 6.46065 2.40538 -188.76388 683.19015
4035.0000 -194.62338 -188.54248 6.08091 2.44955 -187.95060 721.72042
4040.0000 -195.82898 -189.15727 6.67171 2.41130 -188.65485 670.67912
4045.0000 -194.78339 -187.25086 7.53254 2.41866 -188.51933 700.31967
4050.0000 -194.98314 -187.55405 7.42910 2.48329 -187.32945 742.14827
4055.0000 -194.97829 -187.64587 7.33243 2.44752 -187.98791 731.35516
4060.0000 -194.29646 -186.25057 8.04589 2.52009 -186.65185 747.38432
4065.0000 -195.11518 -185.96877 9.14641 2.55416 -186.02458 773.27122
4070.0000 -196.18600 -188.15496 8.03104 2.48211 -187.35102 730.38944
4075.0000 -196.28417 -189.25558 7.02858 2.38783 -189.08688 676.51903
4080.0000 -195.37728 -188.77300 6.60428 2.38360 -189.16471 666.85810
4085.0000 -196.96142 -190.45674 6.50468 2.39447 -188.96469 676.72629
4090.0000 -195.38103 -188.48627 6.89477 2.34363 -189.90062 665.79481
4095.0000 -195.90516 -188.75278 7.15238 2.42598 -188.38461 706.23419
4100.0000 -196.36216 -190.48496 5.87720 2.34253 -189.92093 637.01193
4105.0000 -196.32280 -189.66787 6.65494 2.35598 -189.67325 648.22457
4110.0000 -196.04747 -188.59111 7.45636 2.39131 -189.02283 693.99357
4115.0000 -196.06905 -189.51926 6.54979 2.37525 -189.31861 661.23989
4120.0000 -197.42712 -190.33611 7.09100 2.36406 -189.52464 664.59394
4125.0000 -196.63899 -188.42164 8.21735 2.37968 -189.23690 659.67317
4130.0000 -195.68546 -187.39695 8.28851 2.45909 -187.77500 725.05810
4135.0000 -196.06848 -190.25856 5.80993 2.42352 -188.42982 710.82069
4140.0000 -197.99007 -191.99342 5.99666 2.29684 -190.76223 630.09565
4145.0000 -195.74867 -188.39416 7.35451 2.31038 -190.51281 628.13022
4150.0000 -196.07619 -187.96454 8.11165 2.46467 -187.67212 731.26968
4155.0000 -196.18183 -189.62336 6.55847 2.43513 -188.21601 732.32419
4160.0000 -195.04757 -189.14923 5.89835 2.36063 -189.58776 659.67840
4165.0000 -194.87535 -188.53834 6.33701 2.42830 -188.34173 718.29272
4170.0000 -196.80765 -189.49933 7.30832 2.37820 -189.26429 679.94252
4175.0000 -195.15093 -189.26020 5.89073 2.37392 -189.34295 683.46468
4180.0000 -196.57762 -190.41161 6.16601 2.34066 -189.95531 643.16845
4185.0000 -196.04346 -189.59062 6.45285 2.37025 -189.41054 654.29359
4190.0000 -195.92323 -188.22149 7.70173 2.39845 -188.89148 675.39768
4195.0000 -195.51444 -189.02897 6.48546 2.37709 -189.28473 683.38042
4200.0000 -196.79440 -189.76746 7.02694 2.36232 -189.55660 671.49306
4205.0000 -196.77969 -190.69672 6.08297 2.31815 -190.36977 638.42034
4210.0000 -194.85042 -187.76785 7.08258 2.35658 -189.66228 636.05290
4215.0000 -195.34508 -189.00221 6.34287 2.45674 -187.81818 726.30342
4220.0000 -195.38218 -188.20113 7.18106 2.42089 -188.47827 698.95629
4225.0000 -196.82278 -189.55081 7.27197 2.37335 -189.35347 676.79899
4230.0000 -197.05522 -190.08240 6.97282 2.36446 -189.51712 669.03533
4235.0000 -196.96408 -190.90540 6.05868 2.29980 -190.70775 623.67386
4240.0000 -197.87281 -191.42943 6.44337 2.28173 -191.04040 611.15484
4245.0000 -196.42339 -188.99709 7.42631 2.32641 -190.21783 618.00423
4250.0000 -196.11897 -189.94589 6.17308 2.40592 -188.75387 675.33503
FREEZING PROCESS: loop number 18 T-loop= 651.00000000000000
main_MD> interactions number 18 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.84289 1.71532 -0.07579
force_rgl> df(natom) -0.96090 -1.51436 -0.20979
4255.0000 -196.79156 -189.57654 7.21502 2.35824 -189.63166 650.60843
4260.0000 -197.69443 -191.53565 6.15878 2.29508 -190.79460 614.26745
4265.0000 -196.77632 -190.45804 6.31828 2.29407 -190.81321 626.89270
4270.0000 -197.74621 -190.66348 7.08273 2.34100 -189.94908 654.35467
4275.0000 -198.38368 -192.12920 6.25447 2.24201 -191.77170 573.82815
4280.0000 -197.84000 -192.00204 5.83796 2.23866 -191.83333 594.57946
4285.0000 -198.93193 -192.76566 6.16627 2.25869 -191.46457 608.03033
4290.0000 -198.40537 -193.08852 5.31685 2.15720 -193.33307 553.22668
4295.0000 -198.78594 -191.62855 7.15738 2.25601 -191.51396 649.04461
4300.0000 -198.18085 -190.69354 7.48731 2.27551 -191.15483 637.38728
4305.0000 -197.72596 -191.08870 6.63726 2.29917 -190.71933 648.92960
4310.0000 -196.31562 -189.40965 6.90597 2.30369 -190.63610 626.32816
4315.0000 -196.56863 -189.66782 6.90081 2.37992 -189.23264 669.14531
4320.0000 -196.29262 -189.72795 6.56468 2.36207 -189.56123 644.72903
4325.0000 -196.26716 -189.32579 6.94138 2.35417 -189.70659 653.00509
4330.0000 -196.16451 -189.51402 6.65049 2.33600 -190.04117 649.58627
4335.0000 -196.60328 -189.49112 7.11216 2.33069 -190.13898 640.26830
4340.0000 -195.66120 -188.36190 7.29930 2.39870 -188.88681 695.10831
4345.0000 -195.53069 -188.38560 7.14509 2.43563 -188.20678 713.95665
4350.0000 -195.44540 -188.33665 7.10874 2.39461 -188.96205 673.88754
4355.0000 -195.98413 -190.12271 5.86143 2.37895 -189.25033 682.50720
4360.0000 -197.16969 -190.10305 7.06664 2.32003 -190.33517 641.31284
4365.0000 -196.48629 -189.95065 6.53564 2.33734 -190.01649 652.73304
4370.0000 -197.83433 -190.17364 7.66069 2.29567 -190.78370 647.77944
4375.0000 -197.25741 -190.80475 6.45267 2.31954 -190.34419 667.81000
4380.0000 -197.71067 -190.88706 6.82361 2.29422 -190.81043 611.66118
4385.0000 -196.79511 -190.66037 6.13474 2.28732 -190.93748 599.29451
4390.0000 -196.09557 -189.48426 6.61131 2.34425 -189.88922 660.91573
4395.0000 -196.68522 -190.72152 5.96370 2.35013 -189.78097 642.08298
4400.0000 -197.79198 -190.87080 6.92117 2.27181 -191.22296 602.95430
4405.0000 -196.39625 -190.23331 6.16294 2.28701 -190.94318 597.37498
4410.0000 -198.17595 -192.22662 5.94933 2.27400 -191.18272 622.81960
4415.0000 -197.98422 -191.46604 6.51818 2.25315 -191.56649 605.88084
4420.0000 -197.23342 -189.95651 7.27692 2.30542 -190.60417 648.61730
4425.0000 -197.32115 -189.36850 7.95266 2.38310 -189.17405 685.99253
4430.0000 -196.62345 -189.96215 6.66130 2.35582 -189.67617 661.23086
4435.0000 -197.43397 -189.79822 7.63575 2.36732 -189.46456 671.35218
4440.0000 -195.92086 -188.45304 7.46782 2.36865 -189.44006 669.63449
4445.0000 -195.97881 -188.90016 7.07865 2.40212 -188.82374 714.76862
4450.0000 -196.81584 -189.95030 6.86554 2.36523 -189.50308 674.02011
4455.0000 -196.30626 -190.75968 5.54659 2.34587 -189.85955 653.28848
4460.0000 -195.79901 -188.70105 7.09797 2.36724 -189.46603 657.91445
4465.0000 -198.04267 -192.19292 5.84974 2.32743 -190.19905 646.31817
4470.0000 -196.99598 -189.56448 7.43149 2.31392 -190.44762 645.88566
4475.0000 -195.88732 -189.16818 6.71914 2.39866 -188.88759 686.91554
4480.0000 -196.57460 -190.85433 5.72028 2.32217 -190.29579 625.31292
4485.0000 -196.80113 -190.12227 6.67886 2.28597 -190.96233 602.81165
4490.0000 -198.26859 -192.02661 6.24198 2.29978 -190.70804 597.84943
4495.0000 -196.28781 -190.02401 6.26380 2.29693 -190.76054 618.91923
4500.0000 -196.94930 -190.27686 6.67244 2.28863 -190.91329 606.55064
FREEZING PROCESS: loop number 19 T-loop= 626.00000000000000
main_MD> interactions number 19 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74618 -0.83685 1.04092
force_rgl> df(natom) -1.47517 -0.96172 2.81253
4505.0000 -197.65422 -191.03776 6.61646 2.28895 -190.90741 622.28997
4510.0000 -196.27397 -189.43470 6.83927 2.31130 -190.49589 624.43868
4515.0000 -197.34581 -190.75954 6.58627 2.33126 -190.12843 633.67623
4520.0000 -195.80790 -189.65600 6.15190 2.32049 -190.32677 626.24387
4525.0000 -196.41260 -189.56697 6.84563 2.38472 -189.14416 640.62123
4530.0000 -195.47978 -188.71816 6.76163 2.39412 -188.97105 673.85907
4535.0000 -195.12981 -188.39312 6.73669 2.40693 -188.73518 684.14977
4540.0000 -194.76729 -187.64727 7.12002 2.43449 -188.22785 696.82127
4545.0000 -197.04308 -190.84191 6.20116 2.33634 -190.03495 647.27806
4550.0000 -196.75756 -190.44113 6.31643 2.29622 -190.77350 627.24769
4555.0000 -196.99286 -189.93548 7.05738 2.31941 -190.34659 634.92537
4560.0000 -196.67367 -189.56616 7.10750 2.32194 -190.30004 625.73791
4565.0000 -196.99239 -190.80252 6.18987 2.36853 -189.44231 673.93856
4570.0000 -197.08100 -191.30590 5.77510 2.28061 -191.06098 613.89143
4575.0000 -198.72169 -192.03364 6.68806 2.24173 -191.77687 595.84977
4580.0000 -197.09493 -191.03115 6.06377 2.23667 -191.87005 588.24068
4585.0000 -197.29413 -191.86715 5.42698 2.28058 -191.06155 619.30832
4590.0000 -196.66905 -190.01546 6.65359 2.29499 -190.79620 620.54535
4595.0000 -196.88680 -190.56397 6.32283 2.32505 -190.24272 626.35789
4600.0000 -197.21465 -190.78186 6.43279 2.27605 -191.14491 588.32972
4605.0000 -196.24513 -189.38662 6.85851 2.32317 -190.27734 627.29795
4610.0000 -195.55379 -188.82239 6.73139 2.39595 -188.93749 667.99441
4615.0000 -196.62955 -190.38021 6.24934 2.37985 -189.23385 645.58020
4620.0000 -197.12499 -190.08104 7.04395 2.34020 -189.96386 645.36437
4625.0000 -196.73459 -190.23326 6.50132 2.33743 -190.01483 645.77761
4630.0000 -198.02608 -192.28831 5.73777 2.29992 -190.70549 635.83960
4635.0000 -197.89327 -191.85849 6.03478 2.22571 -192.07173 590.49459
4640.0000 -197.83828 -192.27012 5.56815 2.20376 -192.47597 596.52992
4645.0000 -198.80995 -191.96108 6.84887 2.24330 -191.74785 619.06611
4650.0000 -198.00943 -191.59413 6.41530 2.21173 -192.32913 581.66994
4655.0000 -196.78200 -190.90814 5.87386 2.28871 -190.91185 608.41148
4660.0000 -197.91888 -189.86909 8.04979 2.32287 -190.28298 642.37480
4665.0000 -197.44153 -191.51755 5.92398 2.31010 -190.51811 630.12311
4670.0000 -198.10936 -192.04186 6.06750 2.25175 -191.59226 586.08638
4675.0000 -198.05798 -192.13001 5.92798 2.22082 -192.16171 589.68225
4680.0000 -197.34619 -192.44730 4.89890 2.17365 -193.03026 556.20872
4685.0000 -197.72006 -191.58668 6.13338 2.22794 -192.03076 570.37200
4690.0000 -198.58350 -191.82522 6.75829 2.22821 -192.02577 574.41950
4695.0000 -196.40956 -190.52387 5.88569 2.24343 -191.74547 566.98343
4700.0000 -196.97411 -190.58656 6.38754 2.31202 -190.48273 616.88282
4705.0000 -197.79832 -191.63011 6.16821 2.28989 -190.89007 625.13227
4710.0000 -197.73788 -190.66197 7.07590 2.27448 -191.17382 598.13575
4715.0000 -198.93890 -192.54370 6.39521 2.31152 -190.49179 643.02203
4720.0000 -198.77311 -192.89203 5.88108 2.18568 -192.80883 566.34932
4725.0000 -196.18310 -190.57870 5.60440 2.28680 -190.94706 633.83251
4730.0000 -197.07997 -191.04796 6.03201 2.30451 -190.62090 622.32308
4735.0000 -196.81268 -189.66668 7.14601 2.31353 -190.45494 634.73016
4740.0000 -197.49643 -190.54158 6.95486 2.31411 -190.44425 666.27167
4745.0000 -197.79415 -190.32079 7.47336 2.30819 -190.55311 664.54610
4750.0000 -196.50093 -190.00165 6.49927 2.31127 -190.49649 658.72819
FREEZING PROCESS: loop number 20 T-loop= 601.00000000000000
main_MD> interactions number 20 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06661 -2.19468 0.24781
force_rgl> df(natom) -0.83077 -5.33837 0.39152
4755.0000 -197.57654 -191.61054 5.96599 2.30157 -190.67512 638.47916
4760.0000 -197.48750 -191.35932 6.12817 2.26495 -191.34925 617.09048
4765.0000 -196.36318 -190.33033 6.03285 2.31261 -190.47187 632.64515
4770.0000 -195.25717 -189.22617 6.03100 2.36328 -189.53889 641.30953
4775.0000 -196.35031 -189.34081 7.00949 2.35930 -189.61220 643.70437
4780.0000 -197.80128 -191.89003 5.91125 2.32103 -190.31680 654.50477
4785.0000 -197.98506 -192.10028 5.88477 2.22454 -192.09337 596.14461
4790.0000 -198.49780 -192.04133 6.45647 2.25681 -191.49920 637.53310
4795.0000 -197.74807 -191.61967 6.12840 2.19640 -192.61130 583.96249
4800.0000 -199.06811 -192.88749 6.18062 2.18700 -192.78449 585.19030
4805.0000 -197.53104 -191.89174 5.63930 2.23076 -191.97875 588.78407
4810.0000 -197.37497 -190.88699 6.48798 2.24759 -191.66883 610.14579
4815.0000 -197.38270 -191.85577 5.52693 2.25850 -191.46804 608.32427
4820.0000 -196.14321 -189.20660 6.93661 2.27726 -191.12274 607.54476
4825.0000 -196.90466 -190.68718 6.21748 2.34077 -189.95337 637.24375
4830.0000 -196.97815 -190.45609 6.52206 2.29381 -190.81794 618.95030
4835.0000 -197.10393 -189.45802 7.64591 2.38388 -189.15963 679.85900
4840.0000 -197.30653 -190.75828 6.54825 2.31870 -190.35964 609.15330
4845.0000 -196.67404 -190.85455 5.81950 2.30455 -190.62014 598.02181
4850.0000 -196.67020 -190.82348 5.84672 2.25485 -191.53529 564.77880
4855.0000 -196.90392 -190.68073 6.22319 2.32742 -190.19912 627.55423
4860.0000 -196.23127 -190.31743 5.91384 2.33126 -190.12847 631.11050
4865.0000 -196.65758 -190.00003 6.65754 2.32150 -190.30812 630.92156
4870.0000 -196.93544 -190.85222 6.08322 2.29671 -190.76458 632.27184
4875.0000 -198.26640 -192.54130 5.72509 2.23387 -191.92144 573.66891
4880.0000 -197.58062 -191.29675 6.28387 2.22336 -192.11503 560.19657
4885.0000 -198.28551 -191.82629 6.45922 2.30087 -190.68797 636.31376
4890.0000 -198.03274 -191.91159 6.12116 2.20866 -192.38562 565.74804
4895.0000 -198.14185 -192.34149 5.80036 2.24029 -191.80328 575.98853
4900.0000 -197.22416 -191.51723 5.70693 2.26572 -191.33503 587.92132
4905.0000 -196.39912 -189.86337 6.53574 2.27352 -191.19155 593.30863
4910.0000 -194.58256 -188.34925 6.23332 2.35381 -189.71330 654.85800
4915.0000 -196.76160 -189.95925 6.80235 2.37293 -189.36122 646.28140
4920.0000 -197.44106 -189.83655 7.60451 2.28858 -190.91418 607.09884
4925.0000 -197.42951 -191.88535 5.54415 2.30024 -190.69951 625.23377
4930.0000 -197.56735 -190.57519 6.99216 2.29493 -190.79725 640.30461
4935.0000 -198.17193 -192.23907 5.93286 2.26258 -191.39298 624.86446
4940.0000 -197.78692 -191.98340 5.80352 2.18939 -192.74038 549.99629
4945.0000 -196.92142 -190.02448 6.89693 2.28022 -191.06808 597.38153
4950.0000 -198.00823 -191.85121 6.15702 2.29420 -190.81081 611.60737
4955.0000 -196.73965 -190.22672 6.51292 2.29441 -190.80698 622.37760
4960.0000 -197.82438 -192.03946 5.78492 2.28803 -190.92438 615.41558
4965.0000 -197.11137 -191.58680 5.52457 2.25368 -191.55674 590.37137
4970.0000 -197.26898 -191.50326 5.76573 2.27244 -191.21144 603.66776
4975.0000 -197.94834 -192.21616 5.73218 2.24705 -191.67881 589.95086
4980.0000 -198.03002 -191.89916 6.13086 2.19373 -192.66051 552.01330
4985.0000 -197.24152 -191.32948 5.91204 2.24745 -191.67141 592.92800
4990.0000 -197.70875 -191.67544 6.03331 2.24624 -191.69385 581.11541
4995.0000 -197.12091 -191.54594 5.57497 2.27778 -191.11314 606.93952
5000.0000 -198.06968 -191.54212 6.52755 2.23287 -191.93999 588.30233
FREEZING PROCESS: loop number 21 T-loop= 576.00000000000000
main_MD> interactions number 21 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19973 0.50798 -0.53378
force_rgl> df(natom) 2.25330 1.30806 -1.00814
5005.0000 -198.94335 -192.50389 6.43946 2.20896 -192.38012 560.89960
5010.0000 -198.79900 -192.82199 5.97701 2.20291 -192.49162 598.98043
5015.0000 -198.20386 -192.44915 5.75471 2.19115 -192.70809 573.60541
5020.0000 -199.35190 -193.13804 6.21385 2.18617 -192.79973 574.18354
5025.0000 -198.58116 -192.10208 6.47908 2.18504 -192.82054 578.77799
5030.0000 -198.83892 -192.95708 5.88184 2.21195 -192.32501 578.72056
5035.0000 -198.52535 -192.63625 5.88910 2.18328 -192.85290 548.39381
5040.0000 -198.66631 -192.87816 5.78815 2.18610 -192.80096 556.70077
5045.0000 -197.71897 -191.98733 5.73164 2.21547 -192.26027 606.14987
5050.0000 -198.67862 -193.28995 5.38868 2.17055 -193.08739 543.36846
5055.0000 -196.68865 -190.34719 6.34146 2.23302 -191.93723 582.19235
5060.0000 -196.26964 -190.21589 6.05374 2.33272 -190.10152 628.56833
5065.0000 -197.35147 -191.03455 6.31693 2.29203 -190.85074 592.20196
5070.0000 -198.07519 -192.46464 5.61054 2.24384 -191.73794 571.37758
5075.0000 -198.43946 -191.92079 6.51867 2.22084 -192.16133 550.56926
5080.0000 -197.86766 -192.59782 5.26984 2.21908 -192.19383 561.23265
5085.0000 -199.72362 -193.73697 5.98665 2.15607 -193.35392 546.99617
5090.0000 -199.03319 -193.60182 5.43138 2.13664 -193.71167 552.22138
5095.0000 -198.79322 -192.79050 6.00272 2.18197 -192.87712 586.67738
5100.0000 -198.60458 -192.20635 6.39823 2.19500 -192.63726 606.62862
5105.0000 -198.23447 -192.09000 6.14447 2.20408 -192.47008 591.72316
5110.0000 -197.60443 -191.60130 6.00314 2.20000 -192.54502 598.41972
5115.0000 -200.13142 -193.56129 6.57013 2.21830 -192.20820 617.49142
5120.0000 -199.73207 -194.44979 5.28228 2.16131 -193.25737 582.76981
5125.0000 -199.54935 -194.52850 5.02085 2.10856 -194.22861 539.76451
5130.0000 -200.33915 -195.63967 4.69948 2.07877 -194.77708 507.39056
5135.0000 -200.23857 -194.52422 5.71435 2.07314 -194.88072 504.45725
5140.0000 -199.93789 -192.48469 7.45320 2.13569 -193.72908 555.95667
5145.0000 -198.30483 -192.26846 6.03637 2.21768 -192.21966 608.36145
5150.0000 -199.26841 -193.28529 5.98312 2.18635 -192.79640 580.80189
5155.0000 -200.47686 -195.00222 5.47465 2.15140 -193.43985 558.60241
5160.0000 -199.88516 -194.39980 5.48536 2.08642 -194.63619 507.38030
5165.0000 -199.04175 -193.14173 5.90003 2.12999 -193.83401 544.36819
5170.0000 -199.05020 -192.69247 6.35773 2.16456 -193.19761 589.99288
5175.0000 -199.13377 -192.48549 6.64829 2.18106 -192.89375 611.06733
5180.0000 -199.36320 -193.46425 5.89895 2.15065 -193.45374 596.39169
5185.0000 -200.09059 -194.47787 5.61272 2.10305 -194.33007 541.92178
5190.0000 -199.81727 -193.58415 6.23313 2.11416 -194.12555 546.64845
5195.0000 -199.20267 -193.86730 5.33537 2.14679 -193.52474 576.77210
5200.0000 -200.88950 -194.66565 6.22385 2.09782 -194.42630 535.19090
5205.0000 -199.66511 -193.90532 5.75979 2.09578 -194.46402 542.27942
5210.0000 -199.74106 -193.03931 6.70176 2.15379 -193.39587 589.62335
5215.0000 -199.34416 -193.13064 6.21351 2.13517 -193.73875 552.07466
5220.0000 -199.81123 -193.68226 6.12898 2.16654 -193.16116 590.02114
5225.0000 -198.63938 -193.16394 5.47544 2.16683 -193.15586 540.63947
5230.0000 -199.28778 -193.34783 5.93996 2.16851 -193.12492 534.69120
5235.0000 -198.19058 -192.62025 5.57033 2.18506 -192.82021 540.55111
5240.0000 -198.67939 -192.52827 6.15112 2.20786 -192.40033 552.77186
5245.0000 -198.08992 -192.64920 5.44072 2.20935 -192.37304 561.32894
5250.0000 -198.74699 -193.32978 5.41721 2.19394 -192.65676 564.02086
FREEZING PROCESS: loop number 22 T-loop= 551.00000000000000
main_MD> interactions number 22 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11756 -2.69123 -2.02520
force_rgl> df(natom) 3.15385 1.71572 4.61169
5255.0000 -198.51245 -192.70696 5.80549 2.18243 -192.86862 555.85795
5260.0000 -199.71085 -194.88786 4.82299 2.13797 -193.68716 508.94524
5265.0000 -198.25476 -192.98993 5.26483 2.16068 -193.26910 538.83980
5270.0000 -198.20199 -192.65747 5.54452 2.17394 -193.02499 555.56591
5275.0000 -199.09275 -193.83753 5.25523 2.16027 -193.27659 530.08038
5280.0000 -199.05407 -192.82660 6.22747 2.13204 -193.79628 511.69535
5285.0000 -198.49253 -192.88505 5.60748 2.15847 -193.30968 530.02770
5290.0000 -199.02439 -192.72983 6.29455 2.19293 -192.67523 567.44545
5295.0000 -197.89222 -192.83284 5.05938 2.18306 -192.85695 553.05235
5300.0000 -198.20739 -192.81349 5.39390 2.19557 -192.62673 539.16780
5305.0000 -199.12925 -193.24666 5.88258 2.20091 -192.52843 549.40421
5310.0000 -198.27671 -193.00600 5.27070 2.17889 -192.93377 536.64190
5315.0000 -198.13530 -192.79902 5.33628 2.16995 -193.09834 531.16437
5320.0000 -197.85375 -192.80620 5.04756 2.18529 -192.81602 542.42451
5325.0000 -197.07088 -192.05095 5.01992 2.19097 -192.71135 557.72601
5330.0000 -198.63470 -192.60478 6.02992 2.18635 -192.79651 543.89089
5335.0000 -198.61128 -193.26070 5.35058 2.15000 -193.46566 557.61528
5340.0000 -198.78944 -193.55485 5.23459 2.15336 -193.40388 529.09674
5345.0000 -198.36435 -192.54417 5.82017 2.16213 -193.24243 528.33451
5350.0000 -198.10612 -192.06113 6.04500 2.19618 -192.61539 554.73171
5355.0000 -198.72137 -192.25157 6.46980 2.20334 -192.48353 564.25285
5360.0000 -197.13052 -191.60842 5.52210 2.21538 -192.26189 572.40671
5365.0000 -198.37392 -192.71169 5.66223 2.21335 -192.29938 541.06203
5370.0000 -197.77741 -191.57607 6.20134 2.23147 -191.96567 557.79929
5375.0000 -197.62319 -190.58903 7.03417 2.26110 -191.42013 595.24075
5380.0000 -198.85660 -191.19032 7.66628 2.30512 -190.60971 610.86199
5385.0000 -197.64227 -191.45593 6.18634 2.25067 -191.61217 581.33168
5390.0000 -198.72089 -194.00405 4.71684 2.18253 -192.86682 547.79690
5395.0000 -197.81273 -192.46799 5.34474 2.14907 -193.48283 524.48218
5400.0000 -198.25655 -191.81763 6.43891 2.22269 -192.12744 589.75602
5405.0000 -197.54847 -191.85561 5.69286 2.23461 -191.90792 573.25552
5410.0000 -197.39512 -191.43099 5.96413 2.25370 -191.55634 598.86349
5415.0000 -197.54551 -191.52894 6.01658 2.22316 -192.11869 572.83961
5420.0000 -198.44004 -191.71480 6.72524 2.22357 -192.11111 572.17614
5425.0000 -198.41000 -191.93088 6.47912 2.22373 -192.10813 569.49040
5430.0000 -198.66327 -192.68024 5.98303 2.21810 -192.21182 608.66503
5435.0000 -198.59693 -193.00534 5.59159 2.19256 -192.68205 588.21525
5440.0000 -198.21414 -192.72989 5.48425 2.18796 -192.76680 563.61474
5445.0000 -198.62021 -192.79922 5.82099 2.19366 -192.66179 564.14145
5450.0000 -199.02339 -193.54756 5.47583 2.14322 -193.59056 538.13443
5455.0000 -199.61509 -193.93909 5.67600 2.11480 -194.11367 529.40352
5460.0000 -198.59841 -192.85155 5.74686 2.15897 -193.30049 549.15470
5465.0000 -198.77252 -192.66885 6.10367 2.18324 -192.85378 550.40744
5470.0000 -199.21538 -194.11678 5.09861 2.13393 -193.76150 525.49428
5475.0000 -199.16434 -192.97875 6.18559 2.15486 -193.37619 551.54140
5480.0000 -198.64353 -192.84663 5.79689 2.17761 -192.95738 581.35792
5485.0000 -199.43273 -193.89090 5.54183 2.17490 -193.00729 559.14616
5490.0000 -198.52548 -192.34740 6.17808 2.16646 -193.16258 539.26505
5495.0000 -197.70257 -191.91873 5.78384 2.21932 -192.18942 560.60781
5500.0000 -198.20200 -192.38004 5.82196 2.23410 -191.91735 590.81959
FREEZING PROCESS: loop number 23 T-loop= 526.00000000000000
main_MD> interactions number 23 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.28829 -0.48828 0.58906
force_rgl> df(natom) -3.01628 -2.71990 -2.29833
5505.0000 -199.30660 -193.46728 5.83932 2.13970 -193.65541 514.21871
5510.0000 -198.02939 -192.34172 5.68767 2.18823 -192.76189 554.02133
5515.0000 -198.46498 -193.29126 5.17372 2.19655 -192.60869 566.19196
5520.0000 -200.13864 -193.88255 6.25609 2.14009 -193.64806 531.10341
5525.0000 -199.80508 -194.44111 5.36398 2.09108 -194.55038 503.40948
5530.0000 -199.14699 -193.94167 5.20531 2.09209 -194.53188 509.54629
5535.0000 -199.11706 -193.99249 5.12457 2.10584 -194.27879 521.76351
5540.0000 -199.52358 -193.88925 5.63434 2.10833 -194.23296 522.46716
5545.0000 -200.78751 -195.54025 5.24726 2.07635 -194.82162 508.80135
5550.0000 -200.21780 -195.01635 5.20146 2.07785 -194.79409 503.17374
5555.0000 -198.90749 -194.34401 4.56348 2.07993 -194.75573 481.78956
5560.0000 -199.12470 -193.41891 5.70580 2.14635 -193.53288 538.89713
5565.0000 -200.34062 -195.64074 4.69989 2.09960 -194.39369 534.38571
5570.0000 -200.79921 -195.23360 5.56561 2.02794 -195.71290 496.87488
5575.0000 -200.22643 -195.07430 5.15213 2.08251 -194.70827 528.91127
5580.0000 -199.57209 -194.40662 5.16547 2.08821 -194.60327 520.44920
5585.0000 -200.55565 -194.47637 6.07928 2.06595 -195.01319 513.74751
5590.0000 -200.20037 -195.04823 5.15214 2.05815 -195.15670 500.71228
5595.0000 -200.29256 -195.27489 5.01768 2.06090 -195.10617 494.45266
5600.0000 -199.93433 -195.31773 4.61660 2.05688 -195.18007 489.95449
5605.0000 -200.34385 -195.36017 4.98369 2.07044 -194.93050 510.43719
5610.0000 -200.53291 -195.10413 5.42878 2.05729 -195.17253 506.19041
5615.0000 -200.50385 -195.29775 5.20610 2.07220 -194.89810 508.13875
5620.0000 -200.88491 -196.27471 4.61020 2.03119 -195.65322 477.95953
5625.0000 -199.79309 -194.91039 4.88271 2.01676 -195.91877 476.50809
5630.0000 -199.84069 -194.54197 5.29872 2.09196 -194.53419 532.87496
5635.0000 -200.19130 -194.83910 5.35221 2.04518 -195.39563 500.47581
5640.0000 -200.76396 -195.88688 4.87707 2.08234 -194.71137 518.34613
5645.0000 -200.67686 -195.47471 5.20216 2.03415 -195.59862 462.86053
5650.0000 -201.05445 -196.22847 4.82598 2.02321 -195.80011 474.50187
5655.0000 -199.34772 -194.00249 5.34523 2.05344 -195.24343 501.69825
5660.0000 -200.91277 -195.43379 5.47898 2.05112 -195.28616 502.12494
5665.0000 -200.04713 -194.86245 5.18467 2.04605 -195.37953 507.50975
5670.0000 -199.67309 -194.90697 4.76611 2.08594 -194.64506 526.26022
5675.0000 -199.66802 -193.61452 6.05350 2.09020 -194.56665 512.60943
5680.0000 -200.44143 -194.80440 5.63702 2.11230 -194.15977 530.95333
5685.0000 -198.83320 -194.17310 4.66010 2.10093 -194.36918 522.09049
5690.0000 -199.94814 -194.65551 5.29263 2.07710 -194.80778 513.20377
5695.0000 -199.79400 -194.57881 5.21518 2.08969 -194.57614 515.04661
5700.0000 -199.83526 -194.40589 5.42937 2.11243 -194.15748 532.40529
5705.0000 -199.67517 -194.45872 5.21645 2.10011 -194.38431 515.96071
5710.0000 -200.16802 -194.80614 5.36188 2.06588 -195.01441 492.14239
5715.0000 -200.18440 -194.43981 5.74459 2.08339 -194.69205 513.27233
5720.0000 -199.85145 -194.38583 5.46562 2.11173 -194.17035 539.39166
5725.0000 -200.11940 -195.38735 4.73205 2.08586 -194.64656 505.53085
5730.0000 -199.21822 -194.32750 4.89072 2.07007 -194.93724 476.10284
5735.0000 -199.01340 -193.64575 5.36765 2.11185 -194.16798 500.39358
5740.0000 -199.76751 -194.14061 5.62690 2.14748 -193.51209 546.10262
5745.0000 -198.66016 -193.43996 5.22020 2.11842 -194.04718 527.03135
5750.0000 -198.46746 -193.41484 5.05262 2.12714 -193.88661 540.62345
FREEZING PROCESS: loop number 24 T-loop= 501.00000000000000
main_MD> interactions number 24 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.47718 1.87478 -1.16647
force_rgl> df(natom) 0.68552 -2.55275 -0.87858
5755.0000 -199.29663 -194.04780 5.24883 2.17252 -193.05108 563.97374
5760.0000 -199.84066 -194.91948 4.92118 2.09189 -194.53551 518.80595
5765.0000 -200.18284 -195.26980 4.91304 2.06596 -195.01300 510.67223
5770.0000 -200.21999 -194.99984 5.22015 2.05781 -195.16298 499.92934
5775.0000 -199.96299 -195.12773 4.83526 2.06914 -194.95433 501.74098
5780.0000 -200.09200 -194.82155 5.27045 2.06221 -195.08199 503.00341
5785.0000 -199.45939 -194.26584 5.19355 2.09428 -194.49164 529.91134
5790.0000 -201.10803 -195.93747 5.17055 2.06748 -194.98492 496.06235
5795.0000 -200.73036 -196.54761 4.18275 1.99563 -196.30780 456.57799
5800.0000 -200.02720 -195.89441 4.13278 1.97485 -196.69040 435.11837
5805.0000 -200.04684 -194.85540 5.19144 2.05510 -195.21293 483.56675
5810.0000 -201.57837 -196.46307 5.11530 2.04661 -195.36927 488.64314
5815.0000 -200.29571 -195.57229 4.72342 2.00106 -196.20793 454.83965
5820.0000 -199.75653 -193.64654 6.10999 2.09402 -194.49639 523.45819
5825.0000 -198.89094 -194.16903 4.72191 2.12150 -193.99042 516.32746
5830.0000 -200.56323 -195.55779 5.00544 2.07360 -194.87222 488.24670
5835.0000 -199.57502 -194.89629 4.67873 2.05530 -195.20932 490.69499
5840.0000 -200.39663 -195.01361 5.38302 2.09827 -194.41802 531.58530
5845.0000 -200.69385 -196.51877 4.17508 2.02932 -195.68755 477.06019
5850.0000 -201.06357 -194.77620 6.28737 2.02507 -195.76587 471.48663
5855.0000 -200.18457 -194.89823 5.28635 2.03308 -195.61825 474.41673
5860.0000 -200.19175 -195.45768 4.73407 2.05459 -195.22233 486.85223
5865.0000 -200.26978 -195.44682 4.82296 2.04386 -195.41995 473.40770
5870.0000 -200.75728 -195.27127 5.48601 2.02584 -195.75164 461.35766
5875.0000 -199.60052 -194.52289 5.07763 2.06217 -195.08268 494.44447
5880.0000 -200.18287 -194.44593 5.73693 2.09304 -194.51438 521.00975
5885.0000 -199.76499 -195.08165 4.68334 2.09066 -194.55817 518.48639
5890.0000 -200.50751 -195.64725 4.86026 2.05442 -195.22535 476.63089
5895.0000 -199.97112 -194.88318 5.08794 2.03191 -195.63994 453.55090
5900.0000 -200.45164 -195.35243 5.09921 2.06204 -195.08516 490.58542
5905.0000 -200.66882 -195.39226 5.27656 2.04910 -195.32340 482.42645
5910.0000 -200.19539 -194.02079 6.17460 2.08257 -194.70714 510.66751
5915.0000 -198.68081 -194.37418 4.30663 2.10547 -194.28554 519.12666
5920.0000 -201.10475 -196.27690 4.82785 2.03583 -195.56761 472.67156
5925.0000 -200.40469 -195.44857 4.95611 2.03983 -195.49411 462.61309
5930.0000 -200.05859 -195.37390 4.68469 2.04994 -195.30794 473.54322
5935.0000 -199.86731 -194.74962 5.11769 2.06287 -195.06977 485.06251
5940.0000 -200.38511 -194.71817 5.66693 2.07908 -194.77144 507.10630
5945.0000 -199.35699 -194.24124 5.11575 2.08728 -194.62039 526.95141
5950.0000 -199.57753 -194.23799 5.33954 2.11392 -194.12999 531.40520
5955.0000 -198.89187 -193.30938 5.58249 2.11532 -194.10412 504.93212
5960.0000 -198.98117 -193.40391 5.57726 2.15020 -193.46196 535.19259
5965.0000 -198.89250 -194.53369 4.35881 2.14841 -193.49504 518.54888
5970.0000 -198.85780 -193.46376 5.39404 2.11296 -194.14770 488.93907
5975.0000 -199.47100 -195.04134 4.42965 2.12272 -193.96798 500.11632
5980.0000 -199.54159 -194.10159 5.44001 2.07914 -194.77031 489.92365
5985.0000 -199.89112 -194.64093 5.25019 2.09590 -194.46174 508.75801
5990.0000 -200.20231 -194.34646 5.85585 2.07218 -194.89843 494.95959
5995.0000 -199.46236 -194.23405 5.22832 2.11696 -194.07393 527.38863
6000.0000 -199.28292 -194.52647 4.75645 2.09319 -194.51171 513.53093
FREEZING PROCESS: loop number 25 T-loop= 476.00000000000000
main_MD> interactions number 25 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.12375 -0.12821 0.06939
force_rgl> df(natom) -0.66194 -0.10338 0.39326
6005.0000 -200.26302 -194.91784 5.34518 2.06716 -194.99090 500.26900
6010.0000 -200.20013 -195.49781 4.70232 2.03300 -195.61988 479.81685
6015.0000 -200.64498 -195.56453 5.08045 2.04653 -195.37070 509.54316
6020.0000 -200.53888 -195.79310 4.74579 2.05209 -195.26831 507.16971
6025.0000 -200.37305 -194.90282 5.47023 2.05746 -195.16949 515.43294
6030.0000 -201.62441 -196.50825 5.11616 2.01231 -196.00069 478.87240
6035.0000 -200.37341 -195.64001 4.73340 1.99579 -196.30494 465.98880
6040.0000 -200.40887 -196.06506 4.34382 2.00398 -196.15402 470.89360
6045.0000 -200.64428 -196.54343 4.10085 1.99714 -196.28000 465.96211
6050.0000 -201.35457 -196.87744 4.47713 1.96759 -196.82414 446.89062
6055.0000 -200.84680 -196.84686 3.99994 1.95942 -196.97458 440.99939
6060.0000 -200.81976 -195.70422 5.11554 2.02381 -195.78894 486.86492
6065.0000 -201.06484 -196.21557 4.84927 2.02059 -195.84823 487.48224
6070.0000 -200.92327 -196.58006 4.34321 2.00900 -196.06167 480.09490
6075.0000 -201.27100 -196.76042 4.51058 1.95545 -197.04761 440.77897
6080.0000 -201.43944 -197.02267 4.41677 2.00363 -196.16054 475.83484
6085.0000 -201.54561 -196.36388 5.18173 1.96160 -196.93429 438.39828
6090.0000 -201.18536 -197.59774 3.58762 1.98494 -196.50471 457.82669
6095.0000 -201.24676 -196.89703 4.34972 1.94997 -197.14846 430.16066
6100.0000 -200.84804 -195.75597 5.09208 2.02247 -195.81362 489.68657
6105.0000 -200.67689 -195.89843 4.77846 2.05685 -195.18066 517.90435
6110.0000 -200.76136 -196.01190 4.74946 2.01745 -195.90601 476.20142
6115.0000 -200.85848 -196.20409 4.65439 1.99076 -196.39749 464.26599
6120.0000 -200.82822 -195.66128 5.16695 2.00761 -196.08723 486.76137
6125.0000 -201.08397 -196.58895 4.49502 1.99178 -196.37872 464.51755
6130.0000 -201.46563 -197.06156 4.40407 1.98474 -196.50834 457.77050
6135.0000 -201.33974 -196.77592 4.56382 1.95790 -197.00246 438.88877
6140.0000 -200.74682 -196.10139 4.64544 1.97994 -196.59671 457.93141
6145.0000 -201.03426 -196.48038 4.55389 2.00994 -196.04445 481.69428
6150.0000 -201.12735 -196.31485 4.81250 2.00232 -196.18466 476.87783
6155.0000 -201.28043 -196.31157 4.96886 2.01168 -196.01229 484.18591
6160.0000 -200.96579 -196.16037 4.80542 2.00537 -196.12856 474.90069
6165.0000 -201.08650 -195.68894 5.39757 2.01371 -195.97489 487.73965
6170.0000 -200.38145 -195.60128 4.78017 2.02551 -195.75769 476.18082
6175.0000 -200.13154 -195.40832 4.72322 2.03135 -195.65014 458.86633
6180.0000 -200.46723 -195.77314 4.69409 2.03197 -195.63882 478.05495
6185.0000 -201.20427 -196.18506 5.01921 1.99213 -196.37219 461.22102
6190.0000 -201.64055 -196.66406 4.97649 2.01254 -195.99651 477.43714
6195.0000 -201.25839 -196.79692 4.46147 1.96296 -196.90925 439.84432
6200.0000 -201.21361 -196.15677 5.05683 1.97622 -196.66518 451.65063
6205.0000 -200.35913 -195.69048 4.66865 2.02350 -195.79471 491.06918
6210.0000 -200.68766 -195.52424 5.16342 2.00343 -196.16423 465.61904
6215.0000 -200.49371 -195.58627 4.90744 2.02072 -195.84590 473.80465
6220.0000 -201.54285 -196.54973 4.99312 1.99683 -196.28575 465.54887
6225.0000 -201.38557 -196.87465 4.51091 1.98067 -196.58320 457.78064
6230.0000 -201.73341 -197.12126 4.61215 1.96876 -196.80252 453.67245
6235.0000 -201.23417 -196.53204 4.70214 1.98190 -196.56057 465.04384
6240.0000 -200.03355 -194.86173 5.17182 2.03613 -195.56210 500.63745
6245.0000 -201.02612 -196.65783 4.36828 1.98185 -196.56145 456.82168
6250.0000 -200.03592 -195.82535 4.21057 1.98922 -196.42590 449.65062
FREEZING PROCESS: loop number 26 T-loop= 451.00000000000000
main_MD> interactions number 26 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96696 3.57639 0.96383
force_rgl> df(natom) -0.45056 0.66823 -1.22221
6255.0000 -201.60313 -196.83732 4.76581 2.00485 -196.13811 470.10749
6260.0000 -201.29193 -196.31498 4.97695 1.97096 -196.76207 444.45652
6265.0000 -201.60854 -196.70735 4.90119 1.98755 -196.45657 453.44672
6270.0000 -201.61020 -197.11651 4.49369 1.96602 -196.85291 439.40296
6275.0000 -200.57786 -195.99317 4.58469 2.00129 -196.20368 463.97089
6280.0000 -201.57398 -197.64912 3.92486 1.95462 -197.06279 422.94898
6285.0000 -200.84085 -196.08907 4.75178 1.96314 -196.90605 424.32698
6290.0000 -201.21416 -196.78898 4.42518 1.96209 -196.92539 431.55107
6295.0000 -200.44619 -196.32526 4.12092 1.97827 -196.62740 454.36164
6300.0000 -201.17248 -197.07965 4.09283 1.95449 -197.06530 427.27227
6305.0000 -201.10586 -196.47536 4.63051 1.96624 -196.84903 443.01956
6310.0000 -200.74270 -195.93884 4.80386 1.99845 -196.25585 469.81598
6315.0000 -200.42546 -194.90598 5.51948 2.04832 -195.33774 502.68375
6320.0000 -199.99292 -195.25422 4.73869 2.06637 -195.00537 509.05193
6325.0000 -200.55890 -195.90592 4.65298 2.04589 -195.38243 490.35671
6330.0000 -200.68081 -196.34741 4.33341 2.00190 -196.19234 461.80869
6335.0000 -201.31042 -197.04495 4.26547 1.97893 -196.61527 440.61670
6340.0000 -201.31726 -195.96218 5.35508 1.95051 -197.13855 425.99235
6345.0000 -200.34367 -196.13662 4.20704 2.01727 -195.90933 473.81709
6350.0000 -201.10601 -196.61369 4.49232 2.00268 -196.17796 454.37302
6355.0000 -201.10530 -196.60812 4.49718 1.97509 -196.68602 438.40081
6360.0000 -200.86490 -196.12275 4.74215 1.96131 -196.93971 431.76435
6365.0000 -200.76467 -196.42504 4.33962 1.99628 -196.29591 462.13416
6370.0000 -201.53339 -197.13367 4.39972 1.98032 -196.58965 447.18753
6375.0000 -200.87743 -196.62029 4.25714 1.95659 -197.02665 423.18759
6380.0000 -200.99457 -196.26794 4.72662 1.99167 -196.38078 452.08165
6385.0000 -201.52667 -197.42628 4.10039 1.96906 -196.79701 431.56733
6390.0000 -201.88106 -197.61991 4.26115 1.92314 -197.64249 389.03641
6395.0000 -201.67645 -197.34742 4.32903 1.93370 -197.44800 404.69738
6400.0000 -200.14932 -195.48678 4.66254 1.98815 -196.44560 441.93911
6405.0000 -201.01595 -196.26146 4.75449 2.02680 -195.73401 472.84488
6410.0000 -201.19761 -196.96910 4.22851 1.97964 -196.60229 442.71699
6415.0000 -199.85810 -195.40798 4.45012 2.00485 -196.13801 451.77912
6420.0000 -200.62835 -195.76326 4.86510 2.02625 -195.74404 473.72159
6425.0000 -201.12733 -195.34694 5.78039 2.03181 -195.64180 481.86340
6430.0000 -201.53377 -195.96100 5.57277 2.03347 -195.61122 485.82264
6435.0000 -200.79676 -196.06602 4.73074 2.00184 -196.19352 449.59423
6440.0000 -200.64892 -195.99200 4.65692 2.00803 -196.07954 464.60146
6445.0000 -200.50883 -194.85552 5.65330 2.04949 -195.31618 486.46528
6450.0000 -199.88576 -195.72830 4.15746 2.03252 -195.62859 482.52698
6455.0000 -200.52759 -195.21850 5.30910 2.05116 -195.28541 491.29199
6460.0000 -200.66994 -196.22179 4.44815 2.02532 -195.76119 466.67629
6465.0000 -201.79149 -196.72441 5.06708 1.97799 -196.63263 428.59304
6470.0000 -201.10995 -195.77926 5.33070 1.99349 -196.34718 454.30264
6475.0000 -200.76505 -196.20591 4.55914 1.98932 -196.42398 455.42016
6480.0000 -201.66717 -196.95754 4.70962 1.99198 -196.37503 457.65470
6485.0000 -200.82294 -196.74544 4.07750 1.96298 -196.90895 429.68173
6490.0000 -201.14535 -197.45741 3.68794 1.94808 -197.18325 428.98271
6495.0000 -201.12526 -196.21639 4.90887 1.98047 -196.58692 438.59849
6500.0000 -200.81638 -197.16509 3.65129 1.97672 -196.65605 443.56075
FREEZING PROCESS: loop number 27 T-loop= 426.00000000000000
main_MD> interactions number 27 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66900 -1.47580 -1.18026
force_rgl> df(natom) -1.99939 4.09475 0.91243
6505.0000 -201.16406 -196.88887 4.27518 1.96321 -196.90481 427.20598
6510.0000 -201.69127 -197.91657 3.77471 1.93654 -197.39567 412.09357
6515.0000 -201.57439 -197.04403 4.53036 1.93142 -197.49010 409.84960
6520.0000 -200.65919 -196.15899 4.50020 2.00528 -196.13023 457.03976
6525.0000 -201.73005 -197.44589 4.28416 1.96926 -196.79336 432.66822
6530.0000 -201.15945 -197.32881 3.83064 1.93035 -197.50979 401.89182
6535.0000 -201.13026 -196.80691 4.32335 1.97161 -196.75004 432.09694
6540.0000 -200.54489 -196.31297 4.23192 1.97896 -196.61480 445.12691
6545.0000 -200.64340 -196.04747 4.59594 2.01321 -195.98424 466.51526
6550.0000 -201.30907 -196.57798 4.73109 2.01381 -195.97317 463.29628
6555.0000 -201.53533 -197.07409 4.46124 1.97191 -196.74452 436.38474
6560.0000 -202.23588 -198.22390 4.01198 1.92694 -197.57259 406.10026
6565.0000 -201.45164 -197.28590 4.16574 1.95840 -196.99328 430.77089
6570.0000 -200.78632 -197.01828 3.76804 1.93347 -197.45223 418.92223
6575.0000 -202.49214 -197.76867 4.72346 1.94370 -197.26402 423.86440
6580.0000 -201.53257 -196.99669 4.53588 1.95083 -197.13259 431.07467
6585.0000 -201.97972 -197.41307 4.56665 1.95476 -197.06038 436.41516
6590.0000 -201.93323 -197.72848 4.20475 1.94484 -197.24298 422.15872
6595.0000 -201.55182 -197.41218 4.13964 1.96582 -196.85677 442.98751
6600.0000 -202.53349 -197.72168 4.81181 1.92034 -197.69396 404.81544
6605.0000 -200.82583 -196.55353 4.27230 1.93231 -197.47367 411.79486
6610.0000 -201.62212 -197.61216 4.00996 1.94411 -197.25633 422.78816
6615.0000 -201.04500 -196.71053 4.33447 1.98026 -196.59075 437.43012
6620.0000 -201.06508 -196.05150 5.01357 2.00245 -196.18224 456.95625
6625.0000 -201.55935 -197.49001 4.06933 1.99072 -196.39827 437.90103
6630.0000 -201.56631 -197.38639 4.17993 1.90919 -197.89935 387.74771
6635.0000 -201.02524 -196.41651 4.60873 1.97707 -196.64949 449.74462
6640.0000 -201.64255 -197.29857 4.34397 1.94498 -197.24033 408.36772
6645.0000 -201.22133 -196.24027 4.98105 1.97178 -196.74697 446.08342
6650.0000 -200.97135 -196.62654 4.34482 1.99282 -196.35957 450.13995
6655.0000 -200.81084 -196.08821 4.72264 1.98390 -196.52377 441.80199
6660.0000 -201.06095 -196.52083 4.54012 1.99017 -196.40837 439.14554
6665.0000 -200.63130 -196.77442 3.85688 1.95913 -196.97984 415.27030
6670.0000 -201.25145 -196.39748 4.85396 1.98299 -196.54064 426.16265
6675.0000 -201.32283 -197.30818 4.01465 1.95731 -197.01342 415.64824
6680.0000 -201.70276 -197.26021 4.44255 1.94622 -197.21756 408.03434
6685.0000 -201.49752 -197.96987 3.52765 1.94283 -197.28001 417.76387
6690.0000 -202.14739 -197.94251 4.20487 1.90370 -198.00040 387.40743
6695.0000 -201.27346 -197.45458 3.81888 1.90847 -197.91250 393.02837
6700.0000 -200.83762 -195.91753 4.92009 1.96925 -196.79354 433.48760
6705.0000 -201.50659 -197.01506 4.49154 2.01550 -195.94198 475.64372
6710.0000 -201.21531 -197.38500 3.83032 1.94118 -197.31034 414.69005
6715.0000 -201.33355 -197.04494 4.28860 1.94050 -197.32294 411.60994
6720.0000 -201.13201 -196.11495 5.01706 1.98918 -196.42653 450.61191
6725.0000 -201.45348 -196.67239 4.78109 1.98261 -196.54756 441.31920
6730.0000 -201.05091 -196.31492 4.73598 1.99158 -196.38243 431.64377
6735.0000 -200.60497 -196.09317 4.51181 1.99174 -196.37938 434.99777
6740.0000 -201.15704 -196.32256 4.83448 1.99013 -196.40918 442.56952
6745.0000 -201.43140 -196.89758 4.53382 1.96132 -196.93956 421.05932
6750.0000 -200.99475 -197.16334 3.83141 1.94120 -197.30993 425.31138
FREEZING PROCESS: loop number 28 T-loop= 401.00000000000000
main_MD> interactions number 28 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77919 -1.71714 -0.03669
force_rgl> df(natom) -0.55297 0.60015 -1.75246
6755.0000 -201.83852 -197.80689 4.03164 1.92423 -197.62237 401.09011
6760.0000 -202.24812 -198.04174 4.20637 1.90566 -197.96430 388.19398
6765.0000 -202.19412 -198.36545 3.82868 1.90592 -197.95957 392.98367
6770.0000 -201.89947 -197.87643 4.02304 1.90564 -197.96467 400.13295
6775.0000 -201.75280 -197.77025 3.98254 1.93247 -197.47062 425.28496
6780.0000 -202.18586 -198.33097 3.85489 1.90001 -198.06831 396.21759
6785.0000 -202.44324 -198.69909 3.74415 1.90594 -197.95915 389.91129
6790.0000 -202.45978 -197.96378 4.49600 1.90123 -198.04586 388.24206
6795.0000 -201.50499 -197.04199 4.46299 1.92940 -197.52718 407.25576
6800.0000 -201.70664 -197.75500 3.95164 1.94205 -197.29430 417.94471
6805.0000 -201.51682 -197.56994 3.94688 1.95183 -197.11427 425.87324
6810.0000 -200.73665 -196.57082 4.16584 1.95303 -197.09215 421.66894
6815.0000 -201.73291 -198.12774 3.60517 1.91953 -197.70891 393.78034
6820.0000 -201.36758 -197.19395 4.17364 1.91134 -197.85970 385.53193
6825.0000 -201.87749 -198.03624 3.84125 1.91995 -197.70117 405.16668
6830.0000 -201.73842 -197.47032 4.26810 1.92921 -197.53079 412.42516
6835.0000 -202.25043 -197.35928 4.89115 1.96298 -196.90905 429.70492
6840.0000 -201.53699 -197.79275 3.74424 1.93097 -197.49832 409.50574
6845.0000 -202.19591 -197.60773 4.58818 1.90769 -197.92695 392.75685
6850.0000 -201.38125 -197.26884 4.11241 1.91249 -197.83856 401.32345
6855.0000 -201.73130 -197.25185 4.47945 1.94273 -197.28188 418.80682
6860.0000 -202.07732 -197.49902 4.57830 1.94243 -197.28739 426.32804
6865.0000 -201.19521 -197.44432 3.75089 1.93812 -197.36674 422.16258
6870.0000 -201.26352 -197.73977 3.52375 1.92666 -197.57769 410.01569
6875.0000 -201.75975 -196.99311 4.76664 1.93984 -197.33497 422.94417
6880.0000 -201.71274 -197.38201 4.33072 1.95741 -197.01145 432.50423
6885.0000 -201.68014 -197.41047 4.26967 1.94440 -197.25108 430.31314
6890.0000 -201.87477 -197.86302 4.01176 1.91312 -197.82691 399.99238
6895.0000 -201.68114 -197.82071 3.86043 1.91185 -197.85032 401.04356
6900.0000 -202.42927 -197.44036 4.98891 1.92354 -197.63513 405.56649
6905.0000 -200.82731 -196.90081 3.92650 1.95462 -197.06285 426.73250
6910.0000 -201.14517 -197.33001 3.81516 1.95319 -197.08925 425.62772
6915.0000 -202.09815 -197.43163 4.66652 1.93033 -197.51011 412.76137
6920.0000 -201.82563 -197.32997 4.49566 1.92430 -197.62111 410.10749
6925.0000 -201.35292 -197.05494 4.29798 1.95254 -197.10110 430.59880
6930.0000 -201.20698 -196.75946 4.44752 1.96843 -196.80857 447.76566
6935.0000 -201.18755 -197.32895 3.85860 1.96411 -196.88809 444.02952
6940.0000 -200.58896 -196.80295 3.78602 1.94042 -197.32438 420.85147
6945.0000 -201.45354 -197.34319 4.11035 1.93509 -197.42250 405.88617
6950.0000 -201.47353 -197.62142 3.85211 1.93411 -197.44058 402.38650
6955.0000 -201.79571 -197.88687 3.90884 1.91392 -197.81215 388.44190
6960.0000 -202.12998 -198.01376 4.11621 1.90810 -197.91943 384.91533
6965.0000 -201.87134 -198.15916 3.71219 1.92852 -197.54340 413.58690
6970.0000 -201.73607 -197.70673 4.02934 1.90609 -197.95640 394.30189
6975.0000 -201.90772 -198.02614 3.88158 1.89345 -198.18911 386.07126
6980.0000 -202.00374 -197.53635 4.46739 1.91929 -197.71337 409.21686
6985.0000 -202.55492 -198.78032 3.77459 1.91175 -197.85222 409.19153
6990.0000 -202.05506 -198.32255 3.73252 1.88099 -198.41860 384.50012
6995.0000 -201.50233 -197.20485 4.29747 1.92997 -197.51673 418.83318
7000.0000 -202.29047 -198.58513 3.70534 1.90642 -197.95039 394.25663
FREEZING PROCESS: loop number 29 T-loop= 376.00000000000000
main_MD> interactions number 29 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35751 -2.98566 1.12632
force_rgl> df(natom) -1.15841 1.67636 0.37695
7005.0000 -201.65481 -198.56285 3.09196 1.86509 -198.71119 368.66837
7010.0000 -201.80904 -198.36438 3.44466 1.86901 -198.63907 365.66218
7015.0000 -202.07802 -198.49539 3.58263 1.87765 -198.47994 372.56286
7020.0000 -202.73042 -198.41453 4.31589 1.86415 -198.72854 362.59154
7025.0000 -202.04248 -198.80399 3.23849 1.86409 -198.72969 367.26246
7030.0000 -202.34968 -198.51410 3.83558 1.86917 -198.63617 370.30470
7035.0000 -202.19085 -198.15040 4.04045 1.87973 -198.44162 377.78001
7040.0000 -202.45192 -197.91960 4.53232 1.89109 -198.23252 388.28688
7045.0000 -201.50352 -197.17845 4.32507 1.91192 -197.84911 405.76477
7050.0000 -202.07780 -198.26320 3.81461 1.89724 -198.11928 391.77721
7055.0000 -202.59057 -198.60198 3.98858 1.86726 -198.67137 367.41549
7060.0000 -202.22864 -197.38934 4.83930 1.88001 -198.43651 375.92135
7065.0000 -201.68833 -197.52724 4.16109 1.92787 -197.55535 416.61160
7070.0000 -202.68855 -198.36446 4.32410 1.89241 -198.20817 387.90157
7075.0000 -202.22243 -198.38110 3.84133 1.87758 -198.48123 377.75728
7080.0000 -201.80229 -197.68257 4.11972 1.89041 -198.24504 383.37592
7085.0000 -201.79996 -197.99977 3.80019 1.92487 -197.61068 398.78792
7090.0000 -201.84137 -197.87783 3.96355 1.90459 -197.98406 384.85013
7095.0000 -202.10172 -198.62500 3.47671 1.89481 -198.16413 380.42119
7100.0000 -201.86236 -197.90334 3.95901 1.88256 -198.38956 374.21774
7105.0000 -202.38274 -198.94459 3.43816 1.87916 -198.45225 369.86699
7110.0000 -202.14586 -198.38191 3.76394 1.86361 -198.73852 356.68525
7115.0000 -202.38531 -198.70804 3.67727 1.87444 -198.53906 363.66622
7120.0000 -201.10214 -196.84529 4.25685 1.93430 -197.43697 404.65726
7125.0000 -201.22658 -197.43961 3.78697 1.96117 -196.94232 429.55105
7130.0000 -201.92937 -197.81761 4.11177 1.90936 -197.89612 388.68411
7135.0000 -202.58729 -199.34870 3.23859 1.86726 -198.67121 351.33276
7140.0000 -202.71954 -199.01713 3.70241 1.83273 -199.30711 324.47516
7145.0000 -202.25425 -199.28377 2.97048 1.84438 -199.09262 332.58171
7150.0000 -202.38873 -198.97454 3.41418 1.81943 -199.55200 317.29172
7155.0000 -202.06151 -198.54536 3.51614 1.87282 -198.56897 357.23153
7160.0000 -202.12873 -198.40856 3.72018 1.86837 -198.65077 360.90258
7165.0000 -202.82913 -199.02064 3.80849 1.87181 -198.58744 369.38735
7170.0000 -202.31604 -198.58515 3.73089 1.86093 -198.78789 355.77418
7175.0000 -202.03959 -198.56594 3.47365 1.87777 -198.47773 360.12037
7180.0000 -202.47560 -199.43740 3.03820 1.85838 -198.83481 349.77496
7185.0000 -202.39719 -198.40660 3.99059 1.87423 -198.54290 367.18945
7190.0000 -202.31073 -198.15858 4.15215 1.91256 -197.83717 399.43685
7195.0000 -202.19041 -198.11807 4.07234 1.88750 -198.29861 368.79191
7200.0000 -202.10551 -197.99271 4.11280 1.91339 -197.82194 391.31319
7205.0000 -202.58720 -198.75605 3.83115 1.86810 -198.65576 360.02687
7210.0000 -202.25919 -198.20138 4.05782 1.88018 -198.43349 370.05967
7215.0000 -202.49982 -199.33563 3.16419 1.87086 -198.60496 352.54428
7220.0000 -202.22423 -198.41180 3.81243 1.86038 -198.79791 345.75633
7225.0000 -201.84828 -198.40125 3.44703 1.88784 -198.29232 375.35247
7230.0000 -202.88242 -198.89939 3.98303 1.88251 -198.39044 370.97821
7235.0000 -202.11121 -198.19091 3.92030 1.85893 -198.82466 357.97708
7240.0000 -202.77208 -199.49104 3.28104 1.87740 -198.48456 368.00425
7245.0000 -202.36080 -199.19186 3.16894 1.84018 -199.16983 336.29848
7250.0000 -201.58899 -197.64986 3.93914 1.89266 -198.20372 377.24005
FREEZING PROCESS: loop number 30 T-loop= 351.00000000000000
main_MD> interactions number 30 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18928 0.49441 1.71200
force_rgl> df(natom) -0.41325 -0.16343 -2.88676
7255.0000 -202.67774 -198.99779 3.67995 1.89725 -198.11922 372.79792
7260.0000 -202.61427 -198.72993 3.88434 1.84475 -199.08566 337.24936
7265.0000 -202.87928 -199.65755 3.22173 1.82407 -199.46652 318.11697
7270.0000 -202.46765 -198.95446 3.51319 1.81571 -199.62036 317.42364
7275.0000 -203.00245 -198.67147 4.33098 1.86081 -198.79000 352.83442
7280.0000 -202.40794 -198.68481 3.72313 1.87164 -198.59059 364.57093
7285.0000 -202.74171 -199.01275 3.72896 1.84907 -199.00626 352.66131
7290.0000 -202.51997 -198.61150 3.90847 1.85432 -198.90952 350.09893
7295.0000 -202.90864 -199.38044 3.52820 1.84595 -199.06372 347.57434
7300.0000 -202.82559 -199.73622 3.08937 1.81525 -199.62891 322.97475
7305.0000 -203.09872 -200.03572 3.06300 1.79641 -199.97581 306.35981
7310.0000 -202.74921 -199.81915 2.93006 1.80738 -199.77382 316.16888
7315.0000 -202.47584 -198.84705 3.62879 1.83993 -199.17443 345.10323
7320.0000 -202.91592 -199.43215 3.48377 1.84807 -199.02464 342.82674
7325.0000 -202.88856 -199.15114 3.73742 1.83159 -199.32804 330.18175
7330.0000 -202.31550 -199.06407 3.25143 1.83623 -199.24251 335.72481
7335.0000 -202.24484 -198.40452 3.84032 1.87415 -198.54452 366.28198
7340.0000 -203.17324 -199.56665 3.60658 1.84560 -199.07013 347.74024
7345.0000 -202.41278 -198.91766 3.49511 1.83202 -199.32009 339.67266
7350.0000 -202.96171 -198.81436 4.14735 1.88033 -198.43074 376.10418
7355.0000 -202.83692 -199.52151 3.31541 1.84756 -199.03404 351.90120
7360.0000 -203.13434 -199.89568 3.23866 1.81859 -199.56730 328.25357
7365.0000 -203.00795 -199.44525 3.56270 1.81791 -199.57991 326.27544
7370.0000 -202.40699 -198.60637 3.80062 1.84562 -199.06963 346.44150
7375.0000 -202.87409 -199.17419 3.69989 1.85875 -198.82794 359.85262
7380.0000 -202.51670 -198.59642 3.92028 1.87428 -198.54197 367.38888
7385.0000 -202.68771 -199.27472 3.41300 1.82596 -199.43177 334.05297
7390.0000 -203.20829 -200.06230 3.14599 1.80816 -199.75941 316.71275
7395.0000 -203.09479 -199.42030 3.67449 1.82256 -199.49428 329.35799
7400.0000 -202.19782 -198.59583 3.60199 1.84209 -199.13468 345.68993
7405.0000 -201.80033 -198.46587 3.33446 1.85701 -198.85992 357.56594
7410.0000 -202.59266 -198.91829 3.67437 1.86575 -198.69909 366.07034
7415.0000 -203.27301 -199.23754 4.03547 1.84870 -199.01303 352.21776
7420.0000 -202.74205 -199.02931 3.71274 1.82844 -199.38602 336.00630
7425.0000 -202.72857 -199.36858 3.35999 1.84288 -199.12024 348.78938
7430.0000 -202.74377 -199.16202 3.58174 1.82582 -199.43433 332.45091
7435.0000 -202.28203 -199.04195 3.24008 1.84090 -199.15657 350.60690
7440.0000 -202.72140 -198.86617 3.85523 1.86137 -198.77980 362.83861
7445.0000 -202.58088 -199.16547 3.41541 1.84879 -199.01134 348.52391
7450.0000 -202.52503 -198.69465 3.83038 1.85602 -198.87818 357.07444
7455.0000 -202.71535 -198.99201 3.72334 1.85529 -198.89159 356.80064
7460.0000 -202.16479 -198.36636 3.79843 1.85102 -198.97037 352.05674
7465.0000 -202.28707 -199.15040 3.13668 1.85818 -198.83852 347.70260
7470.0000 -202.59609 -198.83557 3.76052 1.84666 -199.05052 340.50313
7475.0000 -202.58233 -198.86052 3.72181 1.86831 -198.65202 360.54781
7480.0000 -202.61980 -198.81263 3.80717 1.85434 -198.90908 356.12229
7485.0000 -202.59276 -199.25498 3.33778 1.82497 -199.44991 331.78905
7490.0000 -201.84116 -198.14260 3.69856 1.85287 -198.93632 353.91909
7495.0000 -202.02649 -197.95353 4.07295 1.89475 -198.16509 394.08890
7500.0000 -202.75975 -198.91727 3.84249 1.86829 -198.65231 367.40793
FREEZING PROCESS: loop number 31 T-loop= 326.00000000000000
main_MD> interactions number 31 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33626 -1.25453 1.37636
force_rgl> df(natom) -1.26273 1.38198 -0.45083
7505.0000 -202.99580 -199.61327 3.38253 1.81908 -199.55840 324.99387
7510.0000 -202.86373 -199.37374 3.48999 1.82330 -199.48067 330.11967
7515.0000 -202.60698 -199.61341 2.99357 1.81338 -199.66336 324.64041
7520.0000 -203.14981 -199.79488 3.35492 1.80976 -199.73003 319.10882
7525.0000 -203.10404 -199.06026 4.04378 1.83187 -199.32294 337.05560
7530.0000 -203.19383 -199.62000 3.57383 1.82204 -199.50380 328.02295
7535.0000 -202.76833 -199.61384 3.15449 1.82175 -199.50917 329.95007
7540.0000 -203.16752 -200.10505 3.06247 1.79913 -199.92572 306.67077
7545.0000 -202.51445 -199.64234 2.87211 1.79355 -200.02844 302.56090
7550.0000 -203.09915 -199.66928 3.42987 1.82237 -199.49771 327.35871
7555.0000 -202.53505 -199.51656 3.01849 1.81568 -199.62096 322.36069
7560.0000 -202.89365 -199.10002 3.79363 1.85263 -198.94056 353.35264
7565.0000 -202.61632 -199.60264 3.01368 1.81159 -199.69626 318.30345
7570.0000 -202.74641 -199.73338 3.01303 1.80633 -199.79315 313.26050
7575.0000 -203.30874 -199.49527 3.81346 1.83195 -199.32149 336.75003
7580.0000 -203.34135 -199.98747 3.35388 1.80196 -199.87347 307.93023
7585.0000 -202.71925 -198.94828 3.77097 1.81858 -199.56761 325.98699
7590.0000 -202.57169 -199.27878 3.29291 1.83000 -199.35734 336.14483
7595.0000 -203.16634 -200.24570 2.92064 1.80869 -199.74959 320.49147
7600.0000 -203.15613 -199.88669 3.26944 1.78457 -200.19379 298.18751
7605.0000 -203.05366 -199.97839 3.07527 1.80260 -199.86182 311.83123
7610.0000 -202.58177 -199.30037 3.28140 1.81168 -199.69455 317.31233
7615.0000 -202.39018 -199.02470 3.36549 1.81197 -199.68924 320.84997
7620.0000 -202.43720 -199.54378 2.89342 1.83513 -199.26293 337.56822
7625.0000 -202.12313 -199.34263 2.78050 1.83011 -199.35531 336.58824
7630.0000 -202.78367 -199.70262 3.08105 1.82354 -199.47628 329.19904
7635.0000 -202.83647 -199.49744 3.33903 1.83285 -199.30481 340.61654
7640.0000 -202.69179 -199.49724 3.19455 1.81290 -199.67214 310.48122
7645.0000 -203.10933 -200.01142 3.09791 1.81150 -199.69795 320.80789
7650.0000 -203.11995 -200.42772 2.69223 1.79516 -199.99873 308.30716
7655.0000 -203.15873 -200.12892 3.02980 1.78944 -200.10405 304.54668
7660.0000 -202.90271 -199.34580 3.55691 1.81720 -199.59299 324.45766
7665.0000 -203.05517 -200.14778 2.90739 1.81136 -199.70046 319.18937
7670.0000 -202.86836 -200.19919 2.66918 1.78437 -200.19734 295.18124
7675.0000 -203.08147 -199.68980 3.39166 1.81105 -199.70620 318.81921
7680.0000 -202.87330 -199.78537 3.08792 1.81756 -199.58640 323.64515
7685.0000 -203.15902 -199.74611 3.41291 1.80440 -199.82858 315.66441
7690.0000 -202.38905 -198.96764 3.42140 1.82907 -199.37447 337.43035
7695.0000 -202.88596 -198.86463 4.02133 1.84461 -199.08835 343.02927
7700.0000 -202.71710 -199.77477 2.94234 1.82708 -199.41102 332.23190
7705.0000 -202.61476 -199.35556 3.25920 1.81245 -199.68041 322.31444
7710.0000 -202.77635 -199.33301 3.44334 1.82337 -199.47928 330.82162
7715.0000 -203.22883 -200.20815 3.02068 1.80961 -199.73263 317.11289
7720.0000 -203.31580 -199.95388 3.36193 1.80277 -199.85860 311.56490
7725.0000 -202.82103 -199.26433 3.55670 1.83132 -199.33297 333.46487
7730.0000 -203.04295 -199.50881 3.53414 1.82213 -199.50227 330.17845
7735.0000 -202.56081 -198.82455 3.73626 1.85510 -198.89519 358.87682
7740.0000 -202.76300 -199.28594 3.47706 1.82990 -199.35920 332.95596
7745.0000 -203.09851 -199.96322 3.13529 1.82967 -199.36331 334.62206
7750.0000 -202.73066 -199.44842 3.28224 1.81237 -199.68186 321.44872
FREEZING PROCESS: loop number 32 T-loop= 301.00000000000000
main_MD> interactions number 32 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.50414 -1.95006 -1.08738
force_rgl> df(natom) 2.14328 1.06600 -0.59549
7755.0000 -203.19035 -200.10447 3.08588 1.81403 -199.65139 320.86915
7760.0000 -203.22410 -200.03971 3.18439 1.79508 -200.00020 306.01567
7765.0000 -203.12099 -200.20579 2.91520 1.79017 -200.09064 300.86705
7770.0000 -203.23620 -200.14995 3.08625 1.78189 -200.24307 297.86287
7775.0000 -203.41131 -199.90412 3.50719 1.78832 -200.12477 304.19885
7780.0000 -203.21934 -200.44119 2.77815 1.78259 -200.23027 296.71609
7785.0000 -203.25447 -200.37602 2.87845 1.76056 -200.63584 277.88147
7790.0000 -203.09570 -200.59058 2.50513 1.77995 -200.27884 291.76138
7795.0000 -203.48849 -200.59074 2.89775 1.77330 -200.40116 286.66512
7800.0000 -203.06853 -200.14924 2.91929 1.77269 -200.41243 287.20286
7805.0000 -203.56837 -200.46727 3.10110 1.78417 -200.20116 297.62237
7810.0000 -203.02553 -200.27884 2.74669 1.79502 -200.00133 306.13652
7815.0000 -203.13240 -200.08385 3.04855 1.78982 -200.09714 298.16097
7820.0000 -203.08053 -200.12934 2.95119 1.79215 -200.05419 306.28963
7825.0000 -203.88313 -200.81838 3.06475 1.78887 -200.11448 303.47196
7830.0000 -203.22982 -199.93349 3.29633 1.76997 -200.46261 284.16654
7835.0000 -203.12331 -200.13219 2.99112 1.78370 -200.20981 293.12519
7840.0000 -202.95670 -199.77474 3.18196 1.79073 -200.08032 304.59887
7845.0000 -203.21140 -199.95887 3.25253 1.79112 -200.07318 302.04390
7850.0000 -202.99245 -199.69928 3.29317 1.80057 -199.89921 311.92980
7855.0000 -203.51414 -200.67699 2.83715 1.77885 -200.29907 293.85620
7860.0000 -203.38379 -200.23541 3.14839 1.76229 -200.60402 276.62793
7865.0000 -203.02701 -200.10941 2.91759 1.78694 -200.15012 298.99469
7870.0000 -202.79130 -199.77008 3.02122 1.79448 -200.01118 292.73183
7875.0000 -203.45442 -200.00077 3.45365 1.81254 -199.67883 310.95109
7880.0000 -203.22920 -199.95446 3.27474 1.79222 -200.05290 301.25510
7885.0000 -203.23941 -200.22357 3.01584 1.78596 -200.16821 297.90353
7890.0000 -202.85224 -199.62010 3.23214 1.79452 -200.01062 303.23877
7895.0000 -203.40698 -200.35875 3.04823 1.81023 -199.72128 319.36815
7900.0000 -202.85197 -199.66817 3.18380 1.79940 -199.92068 305.70498
7905.0000 -203.17644 -199.96632 3.21012 1.80322 -199.85028 311.43913
7910.0000 -202.79960 -199.64391 3.15568 1.79447 -200.01148 304.54084
7915.0000 -202.84649 -199.57366 3.27283 1.80505 -199.81663 311.85965
7920.0000 -203.21455 -200.13574 3.07881 1.79184 -200.05980 300.78414
7925.0000 -203.22216 -200.26479 2.95737 1.75725 -200.69675 273.03756
7930.0000 -203.06663 -199.99702 3.06961 1.78555 -200.17573 299.07711
7935.0000 -203.22186 -200.12092 3.10094 1.79442 -200.01229 306.23641
7940.0000 -202.98854 -199.72977 3.25877 1.80830 -199.75683 318.87310
7945.0000 -202.91385 -199.93620 2.97765 1.79398 -200.02042 298.02422
7950.0000 -203.59282 -200.80585 2.78697 1.76103 -200.62713 270.79528
7955.0000 -203.47487 -200.50579 2.96909 1.77149 -200.43458 286.32184
7960.0000 -203.48814 -200.60053 2.88760 1.76688 -200.51946 286.14725
7965.0000 -203.19159 -200.26257 2.92902 1.77677 -200.33725 293.27114
7970.0000 -203.31115 -200.39115 2.92001 1.77446 -200.37980 287.48126
7975.0000 -203.50485 -200.83945 2.66540 1.75959 -200.65364 277.09671
7980.0000 -203.25119 -200.61804 2.63315 1.76313 -200.58849 278.63028
7985.0000 -203.00037 -200.30202 2.69834 1.76779 -200.50275 280.87837
7990.0000 -203.07659 -199.85221 3.22438 1.79184 -200.05993 300.38535
7995.0000 -203.17544 -200.18801 2.98743 1.81016 -199.72249 312.71448
8000.0000 -203.23855 -199.98924 3.24931 1.78253 -200.23121 293.78756
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 27.4634427 [s].
main_MD> Deallocating global variables
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