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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_96/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_96.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 = 96 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 96 9600
main_MD> Size of nv and nvoiz: 96 9600
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 = 96
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> 0.13679424034119117 7.0319350513725468E-002 -5.7029409236873128E-002 initial drift of cluster / NP1 for coalescence
init> 0.31930469672239442 0.32999636230362933 0.30174127707708148 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7068135424531494E-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) -4.45483 -0.80027 -1.18997
force_rgl> df(natom) 5.15921 -0.29380 -3.15696
preparo> THERMALIZATION PROCESS AT 1190.4638959868785
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -213.25036601904412 15.839429186530998 -229.08979520557511 7.0078387213522251E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1167.0000000000000
main_MD> interactions number 1 at Temperature= 1167.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00134 -0.31968 1.62817
force_rgl> df(natom) -0.77437 -7.23246 -1.13447
5.0000 -228.91222 -215.99022 12.92201 3.22918 -215.49714 1119.39277
10.0000 -228.52666 -214.26895 14.25771 3.29129 -214.19502 1152.06731
15.0000 -224.71088 -209.33848 15.37241 3.42280 -211.43787 1254.51738
20.0000 -227.22866 -211.09486 16.13380 3.37728 -212.39214 1229.57875
25.0000 -227.95414 -212.97784 14.97630 3.41740 -211.55096 1240.41713
30.0000 -224.72648 -211.62320 13.10328 3.45052 -210.85658 1299.56595
35.0000 -227.53952 -212.47550 15.06402 3.39796 -211.95858 1247.40764
40.0000 -228.11426 -214.02057 14.09369 3.28814 -214.26114 1165.42220
45.0000 -229.37690 -215.77927 13.59763 3.22415 -215.60269 1104.15246
50.0000 -229.80773 -216.50724 13.30048 3.19975 -216.11431 1092.24388
55.0000 -230.79507 -216.62034 14.17472 3.12234 -217.73723 1078.35901
60.0000 -231.24614 -216.64863 14.59751 3.26997 -214.64204 1166.32417
65.0000 -229.20542 -215.03333 14.17209 3.21535 -215.78709 1119.62224
70.0000 -229.02641 -214.25025 14.77616 3.27509 -214.53460 1151.00582
75.0000 -230.01851 -214.41692 15.60159 3.26034 -214.84393 1160.03386
80.0000 -229.96972 -214.52590 15.44382 3.27255 -214.58799 1164.37553
85.0000 -226.48796 -212.52307 13.96489 3.29945 -214.02404 1153.21194
90.0000 -228.41435 -214.13440 14.27996 3.35684 -212.82066 1218.08479
95.0000 -227.37882 -213.87974 13.49907 3.37389 -212.46321 1249.78219
100.0000 -228.73996 -216.37389 12.36608 3.25118 -215.03602 1147.65868
105.0000 -227.79351 -214.40733 13.38618 3.25958 -214.85997 1107.10153
110.0000 -230.02948 -215.22555 14.80393 3.27491 -214.53839 1173.70284
115.0000 -229.22446 -215.35604 13.86842 3.23293 -215.41856 1128.38538
120.0000 -230.80679 -217.24190 13.56490 3.25254 -215.00740 1160.58738
125.0000 -228.23610 -214.58661 13.64949 3.23756 -215.32155 1129.85300
130.0000 -227.84050 -212.37599 15.46452 3.34351 -213.10027 1183.72132
135.0000 -227.04133 -211.03723 16.00411 3.39977 -211.92065 1246.77976
140.0000 -229.40213 -215.87264 13.52949 3.40425 -211.82663 1258.88365
145.0000 -232.94858 -220.26080 12.68778 3.12484 -217.68482 1088.02242
150.0000 -229.80472 -214.81048 14.99424 3.15929 -216.96263 1129.40939
155.0000 -227.86518 -214.67181 13.19337 3.25113 -215.03699 1131.85621
160.0000 -228.79014 -212.75688 16.03326 3.33993 -213.17522 1191.15622
165.0000 -225.61261 -210.29605 15.31656 3.35951 -212.76470 1211.63803
170.0000 -223.39241 -207.62279 15.76962 3.50083 -209.80192 1298.43531
175.0000 -228.01025 -213.34650 14.66375 3.46596 -210.53299 1306.16766
180.0000 -229.92603 -216.11207 13.81396 3.26216 -214.80586 1175.91405
185.0000 -227.61010 -213.23566 14.37444 3.28703 -214.28443 1160.80798
190.0000 -228.26187 -213.24847 15.01340 3.31071 -213.78796 1172.20427
195.0000 -228.90690 -214.53546 14.37143 3.29984 -214.01585 1167.78236
200.0000 -229.72032 -213.72592 15.99440 3.34452 -213.07902 1204.68688
205.0000 -226.98767 -210.29753 16.69014 3.44060 -211.06463 1266.43418
210.0000 -228.47645 -213.10589 15.37056 3.42756 -211.33792 1248.72593
215.0000 -226.16790 -213.01978 13.14812 3.36520 -212.64555 1238.86550
220.0000 -226.82229 -211.99241 14.82988 3.33858 -213.20355 1189.01401
225.0000 -228.52530 -212.14147 16.38384 3.41575 -211.58569 1265.59267
230.0000 -229.32850 -213.45070 15.87780 3.35268 -212.90797 1226.05445
235.0000 -227.60857 -212.00151 15.60706 3.39359 -212.05016 1216.65518
240.0000 -227.74593 -213.25674 14.48919 3.44582 -210.95525 1256.82019
245.0000 -229.09289 -213.64876 15.44413 3.29278 -214.16379 1162.43464
250.0000 -228.05079 -214.17081 13.87998 3.29058 -214.21000 1134.01654
FREEZING PROCESS: loop number 2 T-loop= 1142.0000000000000
main_MD> interactions number 2 at Temperature= 1142.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02541 -1.13626 -1.61202
force_rgl> df(natom) 2.79692 0.63439 2.94596
255.0000 -229.88654 -216.98781 12.89872 3.24894 -215.08289 1141.83758
260.0000 -228.32406 -214.97432 13.34974 3.20862 -215.92820 1133.39860
265.0000 -228.72101 -214.57070 14.15031 3.22478 -215.58949 1134.24450
270.0000 -229.66801 -212.80404 16.86396 3.35076 -212.94812 1224.08842
275.0000 -230.45722 -215.63576 14.82146 3.36533 -212.64265 1219.41863
280.0000 -229.56252 -216.58359 12.97893 3.23839 -215.30413 1151.33303
285.0000 -229.65238 -216.28611 13.36627 3.12587 -217.66320 1037.54169
290.0000 -229.79006 -213.65127 16.13879 3.24549 -215.15518 1136.84530
295.0000 -231.19143 -216.39385 14.79758 3.33272 -213.32638 1196.80109
300.0000 -229.21561 -214.04512 15.17048 3.30612 -213.88403 1168.01457
305.0000 -225.74350 -211.74798 13.99551 3.30356 -213.93789 1155.93521
310.0000 -230.28476 -215.32585 14.95891 3.31548 -213.68779 1185.65534
315.0000 -229.94586 -216.75168 13.19418 3.21847 -215.72176 1120.03248
320.0000 -228.86440 -215.21964 13.64476 3.17769 -216.57669 1113.40442
325.0000 -230.62047 -216.25487 14.36560 3.19365 -216.24208 1141.38466
330.0000 -232.69465 -217.13333 15.56132 3.14866 -217.18541 1084.22852
335.0000 -229.13908 -214.46088 14.67820 3.18979 -216.32316 1128.73525
340.0000 -231.00085 -214.91377 16.08708 3.23092 -215.46081 1149.96900
345.0000 -228.43416 -213.94355 14.49062 3.28397 -214.34856 1178.94808
350.0000 -225.48198 -211.10726 14.37472 3.33850 -213.20524 1194.99101
355.0000 -229.68628 -214.51351 15.17277 3.33162 -213.34952 1183.89878
360.0000 -229.06775 -213.39925 15.66850 3.34362 -213.09789 1220.96042
365.0000 -231.71010 -216.00255 15.70755 3.22694 -215.54418 1135.22795
370.0000 -231.18382 -216.71586 14.46796 3.21984 -215.69303 1108.57092
375.0000 -232.14256 -217.26331 14.87925 3.18049 -216.51798 1124.28712
380.0000 -231.57891 -217.34299 14.23592 3.13327 -217.50813 1070.45223
385.0000 -231.19130 -217.36854 13.82276 3.16220 -216.90145 1107.39986
390.0000 -229.75361 -217.71752 12.03610 3.16466 -216.84995 1106.94142
395.0000 -229.73012 -214.85109 14.87903 3.21805 -215.73054 1133.08905
400.0000 -229.02180 -216.26982 12.75198 3.18561 -216.41067 1099.49413
405.0000 -229.10326 -215.47438 13.62888 3.25677 -214.91876 1133.74535
410.0000 -229.12629 -216.00651 13.11978 3.22000 -215.68980 1127.92100
415.0000 -229.43499 -214.44309 14.99190 3.25472 -214.96181 1159.18804
420.0000 -230.04654 -214.74543 15.30111 3.32883 -213.40805 1189.82892
425.0000 -229.01621 -214.95492 14.06129 3.28396 -214.34878 1164.27015
430.0000 -229.75085 -215.52144 14.22941 3.25670 -214.92022 1147.65121
435.0000 -230.69275 -218.08927 12.60348 3.15877 -216.97339 1074.48515
440.0000 -227.47711 -211.96452 15.51259 3.24142 -215.24057 1166.83972
445.0000 -226.98797 -212.80252 14.18545 3.41006 -211.70493 1263.07757
450.0000 -228.58323 -213.80336 14.77987 3.31777 -213.63985 1179.52781
455.0000 -231.28864 -218.61741 12.67123 3.20431 -216.01874 1124.29627
460.0000 -230.55705 -215.69074 14.86630 3.14654 -217.22986 1066.78537
465.0000 -229.30955 -213.15368 16.15587 3.25319 -214.99384 1128.56166
470.0000 -228.77694 -213.67653 15.10042 3.29431 -214.13172 1192.15680
475.0000 -228.00495 -213.96312 14.04183 3.32716 -213.44294 1192.87971
480.0000 -228.04272 -214.14026 13.90247 3.35492 -212.86090 1182.09807
485.0000 -229.60633 -215.44325 14.16308 3.26857 -214.67133 1164.01624
490.0000 -230.27943 -215.31056 14.96887 3.22280 -215.63095 1141.43962
495.0000 -231.64761 -214.65443 16.99317 3.26433 -214.76025 1162.74592
500.0000 -229.04637 -215.37255 13.67382 3.22273 -215.63245 1149.92294
FREEZING PROCESS: loop number 3 T-loop= 1117.0000000000000
main_MD> interactions number 3 at Temperature= 1117.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05338 1.71791 2.65989
force_rgl> df(natom) -3.45365 -1.60767 1.78182
505.0000 -228.46521 -213.63382 14.83139 3.35066 -212.95036 1185.28367
510.0000 -230.34696 -216.74515 13.60181 3.24076 -215.25455 1144.94056
515.0000 -229.37668 -214.23000 15.14668 3.22261 -215.63498 1135.64952
520.0000 -230.04467 -216.24039 13.80428 3.19259 -216.26435 1106.23482
525.0000 -230.29549 -219.01693 11.27856 3.16266 -216.89192 1088.90929
530.0000 -230.29322 -216.18346 14.10977 3.11800 -217.82814 1089.20450
535.0000 -231.92843 -219.48656 12.44187 3.15012 -217.15487 1087.15271
540.0000 -233.24927 -218.66144 14.58784 3.05097 -219.23349 1059.98145
545.0000 -231.58076 -218.76430 12.81645 3.10531 -218.09433 1063.99854
550.0000 -229.51447 -217.28693 12.22753 3.17814 -216.56733 1108.93924
555.0000 -229.66161 -215.04268 14.61893 3.20676 -215.96727 1110.50330
560.0000 -231.68476 -218.11537 13.56940 3.18698 -216.38198 1107.82070
565.0000 -229.70444 -217.38763 12.31680 3.10565 -218.08714 1038.41786
570.0000 -230.30001 -216.93850 13.36150 3.18295 -216.46650 1111.86441
575.0000 -231.56200 -217.26590 14.29609 3.15574 -217.03687 1119.69805
580.0000 -230.18552 -213.83168 16.35385 3.19576 -216.19782 1132.66373
585.0000 -231.64099 -217.87565 13.76534 3.20140 -216.07968 1113.47635
590.0000 -228.63438 -215.07801 13.55637 3.21171 -215.86358 1133.85154
595.0000 -229.20037 -214.58150 14.61887 3.28145 -214.40131 1156.44458
600.0000 -229.23995 -215.04084 14.19911 3.28176 -214.39483 1167.66655
605.0000 -227.75036 -214.08363 13.66673 3.24842 -215.09383 1132.24290
610.0000 -230.12070 -215.98105 14.13966 3.25268 -215.00451 1165.33056
615.0000 -229.58282 -218.29689 11.28593 3.16367 -216.87063 1079.43355
620.0000 -234.29043 -220.78101 13.50942 3.06055 -219.03282 1034.72732
625.0000 -231.14101 -216.57079 14.57022 3.03899 -219.48475 1061.43211
630.0000 -229.16954 -214.84151 14.32802 3.27518 -214.53271 1141.61568
635.0000 -229.38479 -213.57639 15.80840 3.26924 -214.65734 1157.91962
640.0000 -231.34707 -216.49496 14.85211 3.27417 -214.55396 1170.81419
645.0000 -228.49545 -215.05231 13.44314 3.23418 -215.39246 1145.44480
650.0000 -229.17276 -215.62609 13.54668 3.29017 -214.21849 1151.25014
655.0000 -227.24002 -214.26828 12.97175 3.26231 -214.80253 1159.84215
660.0000 -229.03043 -215.85645 13.17398 3.21874 -215.71614 1106.75663
665.0000 -227.31763 -213.35067 13.96696 3.27742 -214.48574 1155.02442
670.0000 -227.92962 -211.55705 16.37257 3.47548 -210.33324 1293.87491
675.0000 -230.14961 -214.55273 15.59688 3.29588 -214.09890 1204.73562
680.0000 -229.73475 -216.54850 13.18625 3.20188 -216.06966 1120.57927
685.0000 -230.13135 -215.98252 14.14883 3.18179 -216.49083 1080.14628
690.0000 -230.63402 -216.67228 13.96175 3.19111 -216.29533 1118.49840
695.0000 -230.16759 -217.50738 12.66021 3.16922 -216.75444 1123.87341
700.0000 -230.17925 -215.72605 14.45320 3.14687 -217.22300 1078.29424
705.0000 -230.57600 -216.80147 13.77453 3.18116 -216.50408 1117.10025
710.0000 -228.69806 -214.48823 14.20983 3.29345 -214.14986 1166.36096
715.0000 -229.47560 -216.03662 13.43899 3.24636 -215.13712 1158.79785
720.0000 -230.30451 -216.19468 14.10983 3.20298 -216.04650 1125.87066
725.0000 -229.85039 -215.80365 14.04673 3.21015 -215.89622 1127.69913
730.0000 -230.24400 -215.30395 14.94005 3.28843 -214.25499 1193.58511
735.0000 -231.42030 -216.77741 14.64288 3.25212 -215.01623 1151.82165
740.0000 -228.13843 -214.24320 13.89523 3.21318 -215.83269 1134.67057
745.0000 -227.87727 -216.90719 10.97008 3.17596 -216.61294 1091.38929
750.0000 -230.71596 -218.34450 12.37147 3.17879 -216.55362 1071.48336
FREEZING PROCESS: loop number 4 T-loop= 1092.0000000000000
main_MD> interactions number 4 at Temperature= 1092.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91736 2.14252 -4.10085
force_rgl> df(natom) 1.08523 -0.20138 1.86918
755.0000 -233.16841 -220.69853 12.46987 3.06985 -218.83777 1044.45070
760.0000 -231.69284 -217.00792 14.68492 3.06262 -218.98941 1038.10752
765.0000 -231.36981 -218.37551 12.99429 3.13196 -217.53558 1072.41019
770.0000 -230.81459 -217.89198 12.92261 3.09997 -218.20626 1072.73409
775.0000 -230.09386 -214.86120 15.23266 3.16615 -216.81862 1131.91728
780.0000 -227.06039 -213.52079 13.53960 3.25994 -214.85242 1167.04788
785.0000 -228.16715 -214.13021 14.03694 3.23462 -215.38318 1133.59428
790.0000 -229.35699 -216.12593 13.23106 3.26845 -214.67399 1155.44562
795.0000 -230.79400 -217.75966 13.03434 3.10670 -218.06522 1070.33275
800.0000 -229.63560 -217.25987 12.37572 3.19256 -216.26498 1119.26969
805.0000 -230.57911 -215.38391 15.19520 3.20419 -216.02121 1108.62806
810.0000 -229.33879 -215.59215 13.74664 3.18867 -216.34666 1119.57661
815.0000 -230.56577 -217.75947 12.80630 3.24285 -215.21068 1142.44592
820.0000 -231.76331 -216.98688 14.77643 3.12343 -217.71431 1098.06228
825.0000 -230.39769 -214.85860 15.53909 3.23931 -215.28486 1134.97715
830.0000 -227.67606 -212.53336 15.14270 3.29803 -214.05373 1175.65945
835.0000 -230.89645 -217.87635 13.02011 3.23055 -215.46856 1154.87451
840.0000 -229.25132 -215.86777 13.38355 3.22309 -215.62494 1125.66500
845.0000 -232.72719 -219.19543 13.53177 3.18086 -216.51026 1100.44340
850.0000 -229.87654 -217.27805 12.59849 3.05962 -219.05223 1049.84016
855.0000 -229.47681 -214.77730 14.69951 3.16582 -216.82569 1109.17372
860.0000 -229.42447 -216.41493 13.00954 3.15315 -217.09120 1082.75660
865.0000 -228.85878 -216.85396 12.00482 3.16478 -216.84753 1083.00021
870.0000 -230.98460 -215.33414 15.65046 3.17266 -216.68230 1109.34764
875.0000 -228.68887 -215.46805 13.22082 3.27438 -214.54955 1134.98991
880.0000 -230.19805 -217.23516 12.96289 3.24517 -215.16204 1138.80329
885.0000 -232.43848 -219.75006 12.68842 3.07895 -218.64698 1055.57991
890.0000 -229.67682 -217.47710 12.19973 3.05899 -219.06538 1025.72589
895.0000 -228.91556 -215.33264 13.58292 3.14759 -217.20795 1080.80836
900.0000 -232.40370 -218.45216 13.95154 3.19976 -216.11397 1140.14585
905.0000 -232.49148 -217.37553 15.11595 3.09694 -218.26972 1049.85519
910.0000 -232.71576 -219.87464 12.84111 3.09905 -218.22562 1063.98336
915.0000 -231.87547 -218.97822 12.89725 3.06545 -218.92998 1031.00291
920.0000 -232.46835 -220.76733 11.70101 3.04635 -219.33051 1023.84110
925.0000 -231.60818 -219.16640 12.44178 2.96262 -221.08598 983.75617
930.0000 -232.35992 -217.94338 14.41654 2.97097 -220.91093 972.79787
935.0000 -231.21911 -217.20349 14.01562 3.20091 -216.08995 1120.63924
940.0000 -229.21923 -216.32847 12.89076 3.14282 -217.30786 1076.86361
945.0000 -229.84470 -216.64574 13.19896 3.15703 -217.00988 1077.59141
950.0000 -232.51218 -219.75004 12.76215 3.10165 -218.17100 1060.16595
955.0000 -232.88985 -219.96400 12.92585 3.00925 -220.10832 1024.98778
960.0000 -230.48519 -217.37467 13.11052 3.09223 -218.36855 1034.47774
965.0000 -231.18374 -219.44729 11.73646 3.12997 -217.57727 1082.66914
970.0000 -233.68534 -218.87594 14.80940 3.07111 -218.81137 1040.80572
975.0000 -233.00565 -218.80270 14.20294 3.05058 -219.24176 1064.48078
980.0000 -230.76372 -216.11337 14.65034 3.16595 -216.82290 1083.33217
985.0000 -231.51935 -219.20872 12.31064 3.05756 -219.09542 1034.59864
990.0000 -231.80513 -216.88335 14.92178 3.11527 -217.88557 1093.32121
995.0000 -229.42050 -215.34847 14.07202 3.21649 -215.76338 1126.79433
1000.0000 -233.03154 -217.99183 15.03971 3.09887 -218.22923 1069.30475
FREEZING PROCESS: loop number 5 T-loop= 1067.0000000000000
main_MD> interactions number 5 at Temperature= 1067.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.15312 -1.38969 -1.30827
force_rgl> df(natom) -1.42437 0.69491 -1.40118
1005.0000 -232.81929 -220.19591 12.62338 3.10026 -218.20009 1064.23663
1010.0000 -229.67898 -218.33261 11.34636 3.03210 -219.62929 1038.31876
1015.0000 -231.92569 -215.31933 16.60635 3.15225 -217.11008 1085.59974
1020.0000 -231.51757 -218.87794 12.63963 3.13761 -217.41702 1089.35327
1025.0000 -231.23608 -219.49258 11.74350 3.09356 -218.34068 1042.17677
1030.0000 -230.77089 -216.49562 14.27526 3.07165 -218.80008 1049.10848
1035.0000 -229.09222 -217.84341 11.24881 3.17488 -216.63559 1085.46268
1040.0000 -230.67342 -217.97988 12.69354 3.13846 -217.39930 1086.00638
1045.0000 -231.27091 -218.26383 13.00708 3.13359 -217.50146 1085.70502
1050.0000 -231.44376 -219.44337 12.00039 3.10667 -218.06570 1052.35499
1055.0000 -231.09446 -217.53467 13.55979 3.09708 -218.26691 1081.26906
1060.0000 -230.17564 -214.53021 15.64543 3.21348 -215.82632 1140.02734
1065.0000 -229.30278 -214.53694 14.76584 3.27042 -214.63265 1155.23673
1070.0000 -232.78961 -219.22174 13.56787 3.16556 -216.83104 1115.02068
1075.0000 -231.88106 -216.89109 14.98996 3.06177 -219.00705 1029.57935
1080.0000 -230.70823 -217.27898 13.42925 3.24014 -215.26736 1154.23352
1085.0000 -230.94858 -216.94808 14.00049 3.22436 -215.59823 1124.20690
1090.0000 -232.22819 -219.28241 12.94578 3.08451 -218.53029 1037.66684
1095.0000 -230.41414 -214.52253 15.89161 3.13748 -217.41984 1067.48634
1100.0000 -227.38661 -213.76070 13.62591 3.32664 -213.45399 1190.73661
1105.0000 -228.71783 -216.34678 12.37105 3.27148 -214.61045 1147.42958
1110.0000 -232.68912 -218.14982 14.53930 3.17824 -216.56517 1093.58360
1115.0000 -230.12866 -217.37877 12.74990 3.11297 -217.93371 1069.12607
1120.0000 -230.94016 -218.36290 12.57726 3.12431 -217.69598 1092.60307
1125.0000 -229.66424 -216.60610 13.05814 3.10665 -218.06615 1077.85259
1130.0000 -231.94264 -218.94258 13.00007 3.08795 -218.45830 1027.47403
1135.0000 -230.98261 -218.57624 12.40638 3.07764 -218.67435 1009.06468
1140.0000 -231.03850 -217.12907 13.90942 3.12180 -217.74865 1043.75964
1145.0000 -228.45343 -216.57271 11.88071 3.17106 -216.71587 1090.48051
1150.0000 -228.49271 -215.84386 12.64885 3.20062 -216.09595 1120.45963
1155.0000 -230.27934 -216.47979 13.79955 3.21425 -215.81017 1106.24943
1160.0000 -230.72781 -218.41227 12.31553 3.12906 -217.59627 1081.04299
1165.0000 -231.26761 -218.98293 12.28468 3.04944 -219.26559 1012.19975
1170.0000 -228.87316 -217.78335 11.08982 3.14276 -217.30921 1066.97317
1175.0000 -233.32026 -219.86768 13.45258 3.14975 -217.16260 1059.65694
1180.0000 -232.50274 -218.85766 13.64507 3.05252 -219.20108 1022.75951
1185.0000 -234.35993 -219.62430 14.73563 3.08129 -218.59787 1063.04140
1190.0000 -236.32875 -222.78217 13.54659 2.90824 -222.22595 950.54086
1195.0000 -233.56141 -222.19489 11.36652 2.86495 -223.13371 917.91248
1200.0000 -234.99998 -222.92337 12.07661 2.91824 -222.01633 947.82203
1205.0000 -232.91443 -221.38584 11.52859 2.94740 -221.40496 964.79269
1210.0000 -232.25750 -218.44906 13.80844 3.03433 -219.58246 1004.09162
1215.0000 -228.32767 -214.99426 13.33340 3.13938 -217.37995 1074.41618
1220.0000 -231.06215 -215.86648 15.19567 3.18129 -216.50124 1077.09838
1225.0000 -234.75414 -222.13098 12.62315 3.05145 -219.22359 1046.77464
1230.0000 -234.14620 -220.68832 13.45788 2.99693 -220.36662 1020.08099
1235.0000 -231.07249 -216.90942 14.16307 3.06588 -218.92090 1047.97834
1240.0000 -230.09777 -217.09736 13.00041 3.15214 -217.11250 1093.23685
1245.0000 -231.64884 -216.88885 14.75999 3.15741 -217.00195 1101.74582
1250.0000 -232.24580 -219.75906 12.48675 3.08302 -218.56155 1044.59010
FREEZING PROCESS: loop number 6 T-loop= 1042.0000000000000
main_MD> interactions number 6 at Temperature= 1042.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01974 1.62910 -0.05289
force_rgl> df(natom) -2.89560 4.39665 2.98879
1255.0000 -233.71991 -220.95663 12.76327 2.97844 -220.75427 991.80288
1260.0000 -231.35652 -218.48064 12.87588 3.07743 -218.67873 1034.01942
1265.0000 -231.07526 -217.60084 13.47442 3.09963 -218.21327 1052.27692
1270.0000 -229.47984 -216.27056 13.20928 3.19279 -216.26014 1088.68203
1275.0000 -231.87419 -219.20230 12.67188 3.10016 -218.20232 1071.23759
1280.0000 -231.73493 -221.65972 10.07521 3.05193 -219.21342 1043.66997
1285.0000 -231.32498 -219.59185 11.73313 2.95910 -221.15976 960.30580
1290.0000 -231.08549 -219.42910 11.65639 3.05523 -219.14418 1032.22811
1295.0000 -232.16201 -216.70118 15.46082 3.06007 -219.04275 1052.85530
1300.0000 -229.23050 -218.12648 11.10403 3.06999 -218.83475 1057.97176
1305.0000 -230.71109 -218.29584 12.41525 3.13223 -217.52991 1040.88385
1310.0000 -229.95034 -217.12372 12.82662 3.14698 -217.22053 1107.62421
1315.0000 -231.98472 -220.90847 11.07625 3.08139 -218.59587 1043.36532
1320.0000 -231.99553 -219.21471 12.78082 2.99962 -220.31019 985.10312
1325.0000 -232.92028 -220.26726 12.65303 3.01589 -219.96906 1013.95384
1330.0000 -231.62765 -218.23179 13.39587 3.01532 -219.98095 990.53457
1335.0000 -233.18088 -220.56344 12.61744 2.97006 -220.92986 994.08547
1340.0000 -231.53452 -218.89791 12.63660 2.96434 -221.04983 989.85338
1345.0000 -235.21633 -221.78644 13.42989 2.99820 -220.33997 1001.80556
1350.0000 -233.45820 -220.39024 13.06797 3.01608 -219.96512 1031.73312
1355.0000 -230.45357 -218.51498 11.93859 3.05248 -219.20181 1039.98008
1360.0000 -230.32019 -218.44821 11.87198 3.04831 -219.28942 1018.03276
1365.0000 -231.14455 -218.25036 12.89419 3.10086 -218.18753 1039.77845
1370.0000 -230.87682 -218.45490 12.42192 3.13837 -217.40123 1082.27620
1375.0000 -231.38309 -217.36935 14.01375 3.11180 -217.95816 1067.51448
1380.0000 -229.93059 -215.18233 14.74826 3.25074 -215.04517 1159.88610
1385.0000 -228.30745 -215.85535 12.45210 3.24307 -215.20604 1159.35910
1390.0000 -229.51222 -217.22800 12.28422 3.20611 -215.98098 1106.63102
1395.0000 -229.36911 -215.94485 13.42425 3.14288 -217.30664 1107.70736
1400.0000 -228.10544 -214.60501 13.50043 3.16459 -216.85145 1102.89619
1405.0000 -231.35233 -217.51701 13.83531 3.19056 -216.30694 1073.35356
1410.0000 -232.54968 -220.42219 12.12749 3.05510 -219.14689 1031.95500
1415.0000 -230.66780 -218.96326 11.70453 3.06525 -218.93427 1027.72026
1420.0000 -231.91793 -220.07441 11.84352 2.96382 -221.06074 958.85564
1425.0000 -232.53012 -220.16806 12.36206 2.95754 -221.19252 971.40943
1430.0000 -233.22607 -220.71382 12.51225 3.00986 -220.09548 980.60906
1435.0000 -232.20676 -217.47672 14.73004 3.00068 -220.28797 1008.83694
1440.0000 -233.59669 -222.53444 11.06225 2.96430 -221.05076 986.90570
1445.0000 -232.96792 -221.23400 11.73392 2.93433 -221.67909 958.83457
1450.0000 -235.23914 -223.13486 12.10429 2.87997 -222.81875 947.09467
1455.0000 -233.91062 -220.73851 13.17211 2.93575 -221.64928 977.74614
1460.0000 -232.97211 -219.34228 13.62983 2.95453 -221.25551 977.54082
1465.0000 -231.70263 -219.28169 12.42094 3.05770 -219.09246 1062.69495
1470.0000 -231.59396 -219.54818 12.04578 3.02520 -219.77393 1007.55975
1475.0000 -229.83664 -215.10724 14.72940 3.09411 -218.32913 1049.21980
1480.0000 -231.86968 -219.83074 12.03894 3.19595 -216.19384 1119.51655
1485.0000 -233.65873 -220.94630 12.71243 2.96807 -220.97156 979.91862
1490.0000 -233.47329 -221.99639 11.47690 2.96274 -221.08332 977.13360
1495.0000 -233.38663 -222.20330 11.18332 2.93028 -221.76386 945.43463
1500.0000 -228.42628 -217.26496 11.16132 3.07953 -218.63483 1023.51412
FREEZING PROCESS: loop number 7 T-loop= 1017.0000000000000
main_MD> interactions number 7 at Temperature= 1017.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05864 0.92224 -2.30424
force_rgl> df(natom) -3.56961 -1.28121 2.21388
1505.0000 -232.58487 -219.39778 13.18709 3.12629 -217.65433 1055.04553
1510.0000 -231.45105 -217.62682 13.82423 3.06412 -218.95794 1036.99835
1515.0000 -231.77933 -217.96643 13.81289 3.08308 -218.56043 1064.73071
1520.0000 -233.20462 -221.16246 12.04216 3.08666 -218.48527 1053.66602
1525.0000 -234.91358 -223.12308 11.79050 2.93257 -221.71585 968.47249
1530.0000 -234.58448 -223.27870 11.30578 2.88027 -222.81245 945.64095
1535.0000 -232.44180 -220.39207 12.04973 2.94738 -221.40547 943.47171
1540.0000 -232.87745 -221.81255 11.06490 3.04240 -219.41322 1008.20709
1545.0000 -232.48877 -221.94796 10.54081 2.92673 -221.83839 982.44697
1550.0000 -233.96716 -222.16132 11.80585 2.93324 -221.70186 944.01056
1555.0000 -232.79201 -220.32909 12.46293 2.97105 -220.90918 967.35066
1560.0000 -231.54664 -218.63044 12.91620 3.01215 -220.04737 1021.44853
1565.0000 -232.49500 -219.73956 12.75545 3.03472 -219.57424 1025.62935
1570.0000 -234.20467 -222.55800 11.64667 3.04297 -219.40138 1054.17796
1575.0000 -232.33349 -222.37006 9.96343 2.88787 -222.65307 940.20148
1580.0000 -234.22165 -222.78313 11.43851 2.90687 -222.25481 927.40356
1585.0000 -234.93786 -222.88452 12.05334 2.89653 -222.47158 923.73801
1590.0000 -232.90145 -220.97585 11.92560 2.97666 -220.79158 988.34013
1595.0000 -232.63397 -222.26857 10.36540 2.99131 -220.48442 977.56284
1600.0000 -233.91353 -221.81290 12.10063 2.94789 -221.39469 977.51001
1605.0000 -230.49419 -220.14803 10.34615 2.92681 -221.83676 952.09506
1610.0000 -231.73628 -218.76197 12.97430 3.03697 -219.52710 1001.46468
1615.0000 -232.96173 -222.28683 10.67490 3.00641 -220.16780 1009.99159
1620.0000 -231.52952 -219.07827 12.45125 3.00912 -220.11109 1017.10505
1625.0000 -230.55241 -218.99328 11.55913 3.03781 -219.50952 1030.59508
1630.0000 -232.70761 -219.91313 12.79449 3.02704 -219.73532 1054.11112
1635.0000 -232.32430 -217.87323 14.45108 3.08945 -218.42678 1059.69942
1640.0000 -232.38125 -220.91683 11.46441 3.04438 -219.37166 1012.60398
1645.0000 -232.60238 -220.09513 12.50725 3.01804 -219.92407 994.94360
1650.0000 -232.71579 -220.62631 12.08948 3.00085 -220.28438 979.95784
1655.0000 -231.82173 -219.74766 12.07407 2.98479 -220.62104 976.15961
1660.0000 -232.30709 -220.85899 11.44810 2.97651 -220.79470 988.42146
1665.0000 -232.19700 -217.99679 14.20020 3.00940 -220.10519 990.38537
1670.0000 -233.75100 -220.06114 13.68987 3.04064 -219.45009 1028.91818
1675.0000 -230.30645 -216.94504 13.36141 3.08989 -218.41755 1047.13527
1680.0000 -231.36625 -217.72496 13.64129 3.11793 -217.82969 1036.34051
1685.0000 -233.70945 -222.96441 10.74504 3.03592 -219.54906 1027.46916
1690.0000 -233.75768 -218.87858 14.87910 2.91387 -222.10794 942.16494
1695.0000 -232.74188 -218.22706 14.51482 3.09954 -218.21526 1069.75272
1700.0000 -233.37579 -221.58592 11.78987 3.00071 -220.28727 954.92983
1705.0000 -233.69311 -220.63589 13.05722 2.95617 -221.22123 954.12245
1710.0000 -233.62328 -220.67343 12.94985 2.96704 -220.99314 991.07047
1715.0000 -231.68827 -219.16054 12.52773 2.96178 -221.10343 971.90609
1720.0000 -232.87435 -218.93966 13.93469 3.03366 -219.59643 1000.80282
1725.0000 -233.23951 -221.81069 11.42882 3.03414 -219.58633 1038.45125
1730.0000 -232.80385 -218.95654 13.84731 3.00221 -220.25591 994.72849
1735.0000 -230.99569 -217.27707 13.71862 3.04385 -219.38286 1032.58717
1740.0000 -232.81618 -219.83207 12.98411 3.02786 -219.71812 1012.10646
1745.0000 -230.84406 -218.52177 12.32228 3.03881 -219.48855 1031.24477
1750.0000 -232.50387 -218.68744 13.81643 3.07410 -218.74857 1035.05926
FREEZING PROCESS: loop number 8 T-loop= 992.00000000000000
main_MD> interactions number 8 at Temperature= 992.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05371 -0.81004 2.17523
force_rgl> df(natom) 0.23834 -3.68210 0.15979
1755.0000 -231.07542 -217.80607 13.26935 3.10022 -218.20099 1066.96745
1760.0000 -233.05907 -220.90181 12.15726 3.03566 -219.55456 1023.71557
1765.0000 -232.38992 -220.13002 12.25989 2.99107 -220.48950 986.35679
1770.0000 -230.59688 -216.42388 14.17300 3.08484 -218.52336 1048.50863
1775.0000 -231.22586 -218.47118 12.75468 3.15812 -216.98701 1061.18122
1780.0000 -233.50945 -220.99963 12.50981 3.04305 -219.39970 1015.67953
1785.0000 -232.19169 -220.92034 11.27136 3.00355 -220.22783 988.84748
1790.0000 -232.87099 -221.09411 11.77688 2.93103 -221.74822 947.91098
1795.0000 -232.38438 -221.13225 11.25213 2.99411 -220.42572 1001.27568
1800.0000 -231.84034 -221.23340 10.60694 2.92215 -221.93446 937.03379
1805.0000 -232.41937 -219.30687 13.11250 2.95482 -221.24942 986.16696
1810.0000 -232.71913 -219.49982 13.21931 3.06248 -218.99216 1037.26629
1815.0000 -232.79966 -220.35639 12.44327 3.06128 -219.01737 1059.99824
1820.0000 -231.80635 -221.55188 10.25447 2.98840 -220.54545 970.02475
1825.0000 -235.62089 -222.05239 13.56850 2.91406 -222.10394 957.52297
1830.0000 -231.83418 -220.52217 11.31201 2.89405 -222.52353 947.62437
1835.0000 -230.99986 -220.57380 10.42606 2.98595 -220.59676 983.94304
1840.0000 -232.45082 -220.98795 11.46287 2.97919 -220.73859 1000.41796
1845.0000 -232.10242 -220.26708 11.83534 2.98049 -220.71124 975.93398
1850.0000 -231.28449 -219.17880 12.10569 3.00697 -220.15599 972.08938
1855.0000 -231.29434 -218.60492 12.68942 3.00306 -220.23796 997.96283
1860.0000 -232.30149 -220.34061 11.96088 3.01736 -219.93815 1011.75270
1865.0000 -236.24497 -223.53756 12.70741 2.94003 -221.55959 948.74434
1870.0000 -233.47739 -220.70538 12.77201 2.94799 -221.39272 953.61904
1875.0000 -232.82564 -219.47672 13.34892 3.05015 -219.25081 1046.11624
1880.0000 -231.82045 -218.53624 13.28421 3.07670 -218.69422 1049.72681
1885.0000 -230.57617 -219.38255 11.19363 3.07666 -218.69494 1070.34015
1890.0000 -232.99023 -221.67359 11.31664 3.00308 -220.23762 982.80017
1895.0000 -234.42477 -221.60339 12.82138 2.92927 -221.78514 958.21597
1900.0000 -233.36438 -220.92177 12.44262 2.96409 -221.05517 998.19653
1905.0000 -232.69532 -222.24285 10.45247 2.93863 -221.58887 978.96243
1910.0000 -232.21437 -221.20334 11.01103 2.96608 -221.01338 979.30991
1915.0000 -231.70583 -221.52386 10.18198 2.91314 -222.12337 942.24196
1920.0000 -232.02003 -219.71902 12.30100 3.02064 -219.86943 992.38246
1925.0000 -232.69439 -220.21254 12.48185 2.99047 -220.50200 992.26933
1930.0000 -231.23599 -218.96851 12.26748 2.99838 -220.33611 1000.21162
1935.0000 -230.51708 -218.15443 12.36266 3.09907 -218.22505 1026.80872
1940.0000 -233.34313 -218.74136 14.60177 3.12637 -217.65282 1059.63851
1945.0000 -230.15625 -218.38900 11.76726 3.08150 -218.59344 1042.69431
1950.0000 -234.34786 -222.93068 11.41718 2.93762 -221.61001 939.30279
1955.0000 -234.63993 -222.93209 11.70785 2.89010 -222.60627 930.70435
1960.0000 -233.33636 -222.06791 11.26845 2.88626 -222.68689 948.14344
1965.0000 -235.17922 -222.93465 12.24457 2.95178 -221.31309 970.79437
1970.0000 -233.53888 -221.30206 12.23682 2.93477 -221.66979 970.73595
1975.0000 -233.39456 -221.07428 12.32028 2.97842 -220.75471 993.12176
1980.0000 -232.98858 -220.66792 12.32066 2.99413 -220.42534 965.48133
1985.0000 -233.82303 -219.40059 14.42244 2.97832 -220.75669 997.98154
1990.0000 -231.25683 -219.15660 12.10023 3.03811 -219.50327 1018.41810
1995.0000 -230.04589 -219.19244 10.85345 3.03591 -219.54927 1030.60479
2000.0000 -232.50470 -220.77066 11.73404 2.98580 -220.59993 975.47587
FREEZING PROCESS: loop number 9 T-loop= 967.00000000000000
main_MD> interactions number 9 at Temperature= 967.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.91438 -0.83171 1.13030
force_rgl> df(natom) 0.74834 0.25962 2.49400
2005.0000 -232.04331 -220.22267 11.82064 2.98493 -220.61813 970.20013
2010.0000 -232.42014 -221.01462 11.40551 2.99268 -220.45577 989.08016
2015.0000 -232.41270 -220.42669 11.98601 2.96965 -220.93857 982.36213
2020.0000 -232.80127 -220.34832 12.45296 2.93881 -221.58509 957.05174
2025.0000 -231.49290 -220.38786 11.10504 2.98970 -220.51822 1010.78275
2030.0000 -234.83718 -221.25426 13.58292 2.98735 -220.56741 979.51272
2035.0000 -233.78910 -220.91869 12.87041 2.91858 -222.00931 936.83026
2040.0000 -232.67133 -221.19767 11.47366 2.99747 -220.35528 967.48119
2045.0000 -231.98859 -219.06001 12.92858 2.98220 -220.67537 967.56748
2050.0000 -234.65285 -221.41694 13.23590 2.99049 -220.50153 993.02965
2055.0000 -234.16504 -221.85692 12.30812 2.88879 -222.63378 925.26914
2060.0000 -235.15193 -223.97963 11.17231 2.89776 -222.44566 925.89876
2065.0000 -235.51611 -222.31508 13.20102 2.88812 -222.64781 953.84316
2070.0000 -233.96863 -221.17036 12.79827 2.91506 -222.08298 950.76366
2075.0000 -233.63712 -220.75302 12.88410 2.97625 -220.80014 979.84835
2080.0000 -233.75361 -222.87682 10.87679 2.95031 -221.34391 962.92125
2085.0000 -233.88414 -222.37376 11.51038 2.87237 -222.97813 906.44317
2090.0000 -234.00698 -221.77428 12.23270 2.90304 -222.33512 948.12311
2095.0000 -234.16536 -222.45562 11.70974 2.86429 -223.14752 908.47682
2100.0000 -233.94374 -219.81093 14.13281 2.89678 -222.46632 938.75012
2105.0000 -230.82696 -220.20906 10.61790 2.95322 -221.28310 970.93706
2110.0000 -233.68196 -221.98153 11.70042 2.98384 -220.64097 984.23570
2115.0000 -233.05668 -221.61664 11.44004 2.95458 -221.25442 964.10739
2120.0000 -232.93615 -219.86497 13.07117 2.94656 -221.42253 964.38717
2125.0000 -233.82504 -220.79557 13.02947 2.98335 -220.65119 1023.56440
2130.0000 -232.39127 -220.43153 11.95975 2.99606 -220.38487 984.90614
2135.0000 -232.95368 -220.86543 12.08825 3.01568 -219.97338 996.59789
2140.0000 -233.47303 -221.45112 12.02191 3.01568 -219.97338 1012.21832
2145.0000 -234.42869 -222.79940 11.62930 2.90807 -222.22959 949.42589
2150.0000 -232.59327 -219.57499 13.01828 2.95811 -221.18057 972.82709
2155.0000 -233.26835 -223.14578 10.12257 2.94956 -221.35965 961.80873
2160.0000 -236.07942 -223.80745 12.27197 2.84341 -223.58534 903.12003
2165.0000 -236.36289 -223.64060 12.72229 2.85531 -223.33587 903.44741
2170.0000 -235.05585 -225.42807 9.62778 2.81258 -224.23164 894.37307
2175.0000 -234.16639 -223.74157 10.42482 2.76528 -225.22332 845.74680
2180.0000 -233.99221 -222.45067 11.54154 2.88507 -222.71182 906.45936
2185.0000 -233.95806 -220.67866 13.27940 2.94348 -221.48717 947.51024
2190.0000 -233.85374 -221.67303 12.18071 2.96853 -220.96200 982.00487
2195.0000 -233.73390 -221.51333 12.22057 2.88625 -222.68710 945.77592
2200.0000 -232.13790 -220.02601 12.11188 3.00669 -220.16197 995.86554
2205.0000 -232.17518 -218.92474 13.25044 3.02703 -219.73542 987.02078
2210.0000 -234.09796 -222.75866 11.33930 2.93439 -221.67769 979.06368
2215.0000 -234.98667 -223.25985 11.72682 2.88829 -222.64426 914.38297
2220.0000 -235.69461 -224.60249 11.09212 2.82873 -223.89301 902.57678
2225.0000 -234.00047 -221.81893 12.18154 2.85058 -223.43484 923.15706
2230.0000 -233.89472 -221.87485 12.01987 2.94436 -221.46873 971.62300
2235.0000 -235.71612 -222.56630 13.14982 2.89509 -222.50177 949.79294
2240.0000 -233.13598 -222.30192 10.83406 2.89145 -222.57814 921.34082
2245.0000 -233.86335 -222.23350 11.62985 2.92803 -221.81107 941.78806
2250.0000 -232.60713 -220.97283 11.63430 2.95761 -221.19094 983.58549
FREEZING PROCESS: loop number 10 T-loop= 942.00000000000000
main_MD> interactions number 10 at Temperature= 942.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.25387 0.15692 0.52836
force_rgl> df(natom) 0.40904 -0.65366 -0.91371
2255.0000 -233.27272 -221.03749 12.23523 2.96938 -220.94415 978.83821
2260.0000 -232.90126 -219.54538 13.35588 3.00638 -220.16842 1026.91288
2265.0000 -232.26900 -221.51786 10.75114 2.99365 -220.43540 989.41841
2270.0000 -233.32154 -221.38168 11.93986 2.90109 -222.37589 928.66284
2275.0000 -233.21828 -223.27905 9.93923 2.90565 -222.28035 933.44701
2280.0000 -231.78855 -220.22800 11.56056 2.94755 -221.40186 917.86047
2285.0000 -231.41668 -218.42844 12.98824 3.05970 -219.05050 1037.31352
2290.0000 -233.76718 -223.39628 10.37090 2.98954 -220.52144 961.34697
2295.0000 -235.53502 -224.75270 10.78232 2.81985 -224.07930 891.76789
2300.0000 -233.19388 -223.49913 9.69475 2.86361 -223.16173 924.26614
2305.0000 -233.86183 -220.38093 13.48090 2.91276 -222.13120 930.21088
2310.0000 -234.42214 -221.56952 12.85261 2.96516 -221.03271 970.64265
2315.0000 -232.79844 -220.84762 11.95082 2.94071 -221.54532 956.13825
2320.0000 -233.12743 -220.48708 12.64036 2.96502 -221.03549 951.78708
2325.0000 -233.39910 -221.10937 12.28972 2.94349 -221.48706 936.43573
2330.0000 -235.35182 -224.73456 10.61726 2.87332 -222.95809 921.24949
2335.0000 -234.47937 -224.48183 9.99754 2.83960 -223.66521 920.77270
2340.0000 -235.50495 -223.52885 11.97610 2.84121 -223.63146 915.73702
2345.0000 -232.93073 -222.13044 10.80028 2.90316 -222.33256 939.00876
2350.0000 -233.90592 -222.26024 11.64568 2.91587 -222.06606 933.37631
2355.0000 -235.68130 -225.05040 10.63090 2.83309 -223.80172 886.82559
2360.0000 -236.92265 -226.18318 10.73947 2.71306 -226.31813 834.05294
2365.0000 -234.97012 -224.46097 10.50915 2.79671 -224.56432 871.28069
2370.0000 -234.32844 -221.83874 12.48970 2.87649 -222.89174 945.91546
2375.0000 -234.09923 -223.34770 10.75153 2.85359 -223.37190 908.57541
2380.0000 -232.68854 -222.82668 9.86186 2.83156 -223.83370 904.66692
2385.0000 -235.55174 -222.40864 13.14310 2.88841 -222.64182 919.95671
2390.0000 -232.72221 -223.12811 9.59410 2.89282 -222.54932 942.01967
2395.0000 -234.18736 -223.31838 10.86898 2.86751 -223.07998 878.98126
2400.0000 -234.93773 -223.58759 11.35013 2.84748 -223.49992 894.09228
2405.0000 -232.37196 -221.41710 10.95486 2.91994 -221.98065 924.54131
2410.0000 -234.79036 -221.74615 13.04421 2.91313 -222.12357 933.88262
2415.0000 -234.02106 -222.29060 11.73047 2.87896 -222.83987 930.65842
2420.0000 -232.62765 -220.80277 11.82488 2.91975 -221.98473 950.86803
2425.0000 -232.82822 -220.77728 12.05094 2.98396 -220.63854 981.35966
2430.0000 -231.94338 -218.91478 13.02859 3.04749 -219.30653 1009.80089
2435.0000 -234.26825 -222.18505 12.08320 2.95719 -221.19970 973.33076
2440.0000 -234.03676 -222.75338 11.28338 2.87192 -222.98758 913.16216
2445.0000 -231.39628 -219.95081 11.44547 2.94263 -221.50501 948.27151
2450.0000 -232.63069 -220.42909 12.20160 2.99678 -220.36962 1001.57223
2455.0000 -236.09275 -222.22180 13.87095 2.90828 -222.22522 946.14670
2460.0000 -234.48513 -222.89375 11.59138 2.90305 -222.33489 940.82057
2465.0000 -234.82355 -224.41035 10.41320 2.88217 -222.77262 933.93785
2470.0000 -236.04493 -225.84356 10.20138 2.76246 -225.28256 834.29221
2475.0000 -236.08404 -223.83651 12.24753 2.80617 -224.36599 890.99638
2480.0000 -232.27836 -221.43474 10.84362 2.86242 -223.18669 919.83235
2485.0000 -231.38076 -221.15851 10.22225 2.95817 -221.17915 958.06686
2490.0000 -233.30183 -222.52685 10.77498 2.92066 -221.96558 903.80320
2495.0000 -231.83750 -221.95499 9.88251 2.90416 -222.31153 913.02734
2500.0000 -232.50665 -219.97118 12.53547 2.94471 -221.46148 966.79174
FREEZING PROCESS: loop number 11 T-loop= 917.00000000000000
main_MD> interactions number 11 at Temperature= 917.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88334 -1.41671 0.93147
force_rgl> df(natom) -2.05817 0.16234 -2.01693
2505.0000 -231.62080 -220.89921 10.72158 2.94345 -221.48785 944.96654
2510.0000 -233.38361 -221.58358 11.80003 3.00359 -220.22703 1000.50037
2515.0000 -234.71970 -223.15916 11.56054 2.88535 -222.70587 949.40556
2520.0000 -234.22604 -222.27972 11.94632 2.85457 -223.35134 877.96643
2525.0000 -233.86586 -223.02655 10.83932 2.88127 -222.79159 916.10795
2530.0000 -234.54072 -221.31789 13.22284 2.93376 -221.69094 962.24705
2535.0000 -234.27058 -222.83469 11.43589 2.92201 -221.93744 962.61813
2540.0000 -234.08677 -222.77840 11.30837 2.85403 -223.36265 916.12740
2545.0000 -235.79371 -223.50633 12.28738 2.86822 -223.06505 925.27593
2550.0000 -234.59356 -221.88842 12.70515 2.88264 -222.76267 936.95429
2555.0000 -235.71647 -225.41969 10.29679 2.83026 -223.86098 893.08914
2560.0000 -234.80360 -223.76864 11.03495 2.82799 -223.90866 875.17710
2565.0000 -235.00418 -223.72798 11.27620 2.86410 -223.15150 882.06450
2570.0000 -235.23595 -224.10197 11.13398 2.84035 -223.64947 891.46013
2575.0000 -234.09575 -223.52954 10.56621 2.85303 -223.38351 895.80727
2580.0000 -235.90298 -225.71492 10.18806 2.74829 -225.57960 844.33651
2585.0000 -234.93729 -223.76208 11.17521 2.79845 -224.52796 876.99174
2590.0000 -235.36043 -224.63839 10.72204 2.79740 -224.54996 894.39004
2595.0000 -233.82746 -225.29832 8.52914 2.80605 -224.36851 900.15363
2600.0000 -236.07223 -225.98255 10.08969 2.72584 -226.05031 832.61123
2605.0000 -237.38765 -227.63781 9.74984 2.68673 -226.87023 812.56178
2610.0000 -237.45239 -227.39137 10.06103 2.66541 -227.31716 822.12053
2615.0000 -235.71203 -226.05200 9.66003 2.71992 -226.17430 852.94621
2620.0000 -236.01300 -225.19516 10.81784 2.75639 -225.40963 830.90434
2625.0000 -233.58880 -222.61366 10.97514 2.83896 -223.67849 875.65195
2630.0000 -236.43224 -225.01464 11.41760 2.81088 -224.26729 894.15992
2635.0000 -234.12630 -222.91795 11.20836 2.83734 -223.71260 891.72579
2640.0000 -235.09812 -222.77317 12.32496 2.92888 -221.79327 963.20122
2645.0000 -232.69172 -221.11778 11.57394 2.95749 -221.19347 968.17593
2650.0000 -234.10348 -222.65663 11.44685 2.90885 -222.21322 952.72549
2655.0000 -233.22886 -221.87939 11.34947 2.89652 -222.47168 930.40137
2660.0000 -235.78634 -223.28087 12.50546 2.83619 -223.73672 897.53430
2665.0000 -233.45912 -223.18068 10.27844 2.88432 -222.72752 944.94248
2670.0000 -235.15311 -221.84599 13.30712 2.89466 -222.51077 941.80242
2675.0000 -235.53364 -224.74877 10.78487 2.84771 -223.49521 915.80424
2680.0000 -235.52637 -223.50208 12.02429 2.80855 -224.31604 867.51928
2685.0000 -235.30259 -223.21515 12.08743 2.85187 -223.40785 927.06072
2690.0000 -235.71190 -223.28451 12.42739 2.89989 -222.40107 920.64652
2695.0000 -235.77062 -223.24171 12.52891 2.84109 -223.63389 924.98727
2700.0000 -233.05697 -220.96316 12.09380 2.96449 -221.04661 980.55329
2705.0000 -232.96394 -221.95466 11.00927 2.93605 -221.64303 959.90731
2710.0000 -233.17599 -220.33971 12.83628 2.95012 -221.34806 952.12801
2715.0000 -232.89822 -221.04771 11.85050 2.95000 -221.35051 972.44255
2720.0000 -234.41239 -220.36635 14.04604 2.96594 -221.01632 986.67352
2725.0000 -232.41725 -220.16916 12.24809 3.05989 -219.04661 1010.70973
2730.0000 -233.79515 -222.10093 11.69422 2.92748 -221.82265 933.88596
2735.0000 -234.29125 -221.11115 13.18011 2.94075 -221.54454 944.98232
2740.0000 -234.26573 -222.47136 11.79436 2.95014 -221.34758 964.47542
2745.0000 -233.98419 -222.24799 11.73621 2.88707 -222.66986 920.24344
2750.0000 -234.48195 -223.90812 10.57383 2.91159 -222.15570 935.04034
FREEZING PROCESS: loop number 12 T-loop= 892.00000000000000
main_MD> interactions number 12 at Temperature= 892.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.36461 -0.73952 -0.25235
force_rgl> df(natom) -1.26533 2.86294 -1.25109
2755.0000 -234.32633 -223.55888 10.76745 2.82324 -224.00804 905.20744
2760.0000 -234.54667 -222.08663 12.46005 2.90955 -222.19853 945.24358
2765.0000 -234.93654 -223.93816 10.99837 2.89273 -222.55125 928.77304
2770.0000 -234.72842 -223.45751 11.27091 2.75362 -225.46776 845.42419
2775.0000 -235.35934 -224.23849 11.12085 2.82086 -224.05797 875.69974
2780.0000 -232.35008 -221.26653 11.08354 2.84758 -223.49777 919.10699
2785.0000 -233.29790 -221.30071 11.99719 2.93548 -221.65490 971.68676
2790.0000 -233.22014 -224.23840 8.98174 2.87817 -222.85651 921.50063
2795.0000 -233.90081 -222.88801 11.01280 2.81764 -224.12547 891.93954
2800.0000 -233.98966 -223.26396 10.72570 2.89699 -222.46182 916.49872
2805.0000 -234.89160 -224.11333 10.77827 2.87692 -222.88270 935.97376
2810.0000 -233.93474 -221.73457 12.20017 2.82954 -223.87603 893.69529
2815.0000 -234.74888 -223.42560 11.32329 2.87482 -222.92682 945.39360
2820.0000 -234.85781 -223.97227 10.88554 2.83900 -223.67782 884.44280
2825.0000 -234.43683 -225.31595 9.12088 2.80901 -224.30655 879.86339
2830.0000 -234.66151 -224.51169 10.14982 2.76909 -225.14347 866.48422
2835.0000 -235.97222 -225.82865 10.14357 2.80020 -224.49120 870.20936
2840.0000 -232.59284 -221.65545 10.93739 2.81752 -224.12807 870.25095
2845.0000 -234.10785 -223.45802 10.64984 2.92626 -221.84826 939.75184
2850.0000 -237.10588 -226.68009 10.42579 2.79476 -224.60516 886.34861
2855.0000 -235.23186 -224.88056 10.35130 2.70780 -226.42835 821.84944
2860.0000 -235.94715 -224.84787 11.09927 2.79317 -224.63849 863.23482
2865.0000 -234.80383 -223.91628 10.88756 2.82814 -223.90539 876.97098
2870.0000 -236.54582 -226.88444 9.66138 2.78630 -224.78273 870.98033
2875.0000 -236.18331 -226.45668 9.72663 2.73606 -225.83592 857.15715
2880.0000 -235.46949 -224.38359 11.08591 2.78419 -224.82682 870.49782
2885.0000 -236.21158 -223.67120 12.54038 2.78232 -224.86615 872.24600
2890.0000 -233.41785 -222.81335 10.60450 2.82207 -224.03271 850.46537
2895.0000 -233.44799 -222.18895 11.25905 2.87310 -222.96272 908.68857
2900.0000 -234.02609 -221.97957 12.04652 2.92547 -221.86490 924.25462
2905.0000 -233.72526 -222.44935 11.27591 2.92592 -221.85544 931.28125
2910.0000 -234.76157 -223.42669 11.33488 2.89348 -222.53551 919.68712
2915.0000 -236.93810 -227.26166 9.67644 2.75112 -225.52024 852.39859
2920.0000 -234.65731 -224.71445 9.94286 2.70746 -226.43567 806.53020
2925.0000 -235.44381 -225.39197 10.05184 2.79930 -224.51005 865.51951
2930.0000 -234.76301 -223.43430 11.32871 2.88535 -222.70598 937.01219
2935.0000 -236.38978 -226.07497 10.31481 2.77836 -224.94916 862.09978
2940.0000 -233.82685 -222.58196 11.24489 2.77228 -225.07651 858.47421
2945.0000 -237.01676 -225.01824 11.99852 2.81870 -224.10333 905.99926
2950.0000 -235.66104 -225.05172 10.60932 2.73899 -225.77444 850.18067
2955.0000 -234.42835 -224.24942 10.17893 2.84466 -223.55904 907.60626
2960.0000 -234.36903 -223.06243 11.30660 2.85818 -223.27557 910.28981
2965.0000 -233.85276 -222.98313 10.86963 2.90698 -222.25253 959.90055
2970.0000 -235.86242 -224.60759 11.25483 2.89753 -222.45060 934.02911
2975.0000 -234.76759 -223.27781 11.48978 2.82670 -223.93564 896.80848
2980.0000 -235.08319 -225.64288 9.44031 2.80937 -224.29894 886.68295
2985.0000 -234.39905 -223.07231 11.32673 2.80440 -224.40322 891.45982
2990.0000 -233.83023 -222.22566 11.60457 2.84380 -223.57706 901.31098
2995.0000 -235.76715 -223.41310 12.35405 2.90580 -222.27718 968.82805
3000.0000 -233.17478 -222.16756 11.00722 2.88709 -222.66943 907.59939
FREEZING PROCESS: loop number 13 T-loop= 867.00000000000000
main_MD> interactions number 13 at Temperature= 867.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33630 0.43274 -2.91501
force_rgl> df(natom) -2.10601 -0.81455 0.13491
3005.0000 -234.92962 -222.61112 12.31850 2.94071 -221.54520 947.32338
3010.0000 -235.90446 -224.63577 11.26869 2.85731 -223.29377 861.84439
3015.0000 -236.00652 -224.28527 11.72125 2.80568 -224.37635 864.72557
3020.0000 -235.38883 -226.30119 9.08765 2.77273 -225.06721 865.86539
3025.0000 -236.25492 -226.03344 10.22149 2.75227 -225.49605 846.85692
3030.0000 -236.67563 -226.84656 9.82907 2.73713 -225.81349 850.68866
3035.0000 -235.89095 -224.56129 11.32966 2.74284 -225.69377 844.22741
3040.0000 -235.87846 -226.99277 8.88570 2.74156 -225.72066 822.19080
3045.0000 -237.21407 -226.94087 10.27320 2.69687 -226.65766 823.23775
3050.0000 -234.44564 -223.98204 10.46360 2.76595 -225.20931 860.88171
3055.0000 -234.12435 -224.53827 9.58608 2.78924 -224.72089 851.43407
3060.0000 -236.31688 -225.40518 10.91170 2.75849 -225.36567 847.14915
3065.0000 -236.67471 -223.73298 12.94173 2.80163 -224.46116 868.23224
3070.0000 -235.65951 -224.29964 11.35988 2.87289 -222.96710 917.48261
3075.0000 -235.96701 -225.69092 10.27609 2.77937 -224.92787 882.23109
3080.0000 -235.77780 -224.83506 10.94274 2.77487 -225.02225 867.45539
3085.0000 -235.40549 -225.20686 10.19864 2.76653 -225.19721 854.02146
3090.0000 -237.91407 -226.42624 11.48783 2.72330 -226.10338 823.79370
3095.0000 -235.25571 -224.97402 10.28169 2.77795 -224.95764 867.32459
3100.0000 -235.80293 -225.16069 10.64224 2.78394 -224.83216 855.98291
3105.0000 -234.96862 -222.41099 12.55763 2.82643 -223.94126 902.37530
3110.0000 -234.63010 -223.12367 11.50643 2.88419 -222.73031 925.60121
3115.0000 -235.51461 -225.18589 10.32872 2.81754 -224.12775 868.91813
3120.0000 -237.73345 -228.10518 9.62827 2.65801 -227.47233 794.04787
3125.0000 -235.55434 -225.99874 9.55560 2.67944 -227.02307 818.01649
3130.0000 -235.05431 -222.62077 12.43355 2.81780 -224.12213 899.22822
3135.0000 -233.45226 -222.09535 11.35691 2.85890 -223.26045 934.18557
3140.0000 -233.70090 -223.21070 10.49020 2.85131 -223.41955 902.94696
3145.0000 -238.13956 -227.23948 10.90008 2.78861 -224.73409 857.87558
3150.0000 -237.34807 -228.04732 9.30075 2.67514 -227.11311 796.27853
3155.0000 -236.15491 -225.34271 10.81221 2.68444 -226.91814 816.45667
3160.0000 -235.24360 -223.93912 11.30448 2.80929 -224.30066 881.87637
3165.0000 -235.58356 -225.94576 9.63780 2.82245 -224.02477 897.06819
3170.0000 -235.91120 -224.83571 11.07549 2.72614 -226.04404 836.12893
3175.0000 -237.80758 -226.62778 11.17980 2.72723 -226.02112 827.16238
3180.0000 -236.15565 -225.99707 10.15858 2.72180 -226.13492 813.55895
3185.0000 -236.26512 -226.20223 10.06288 2.72418 -226.08501 805.63496
3190.0000 -238.06762 -226.23611 11.83151 2.68541 -226.89798 807.70861
3195.0000 -236.05466 -227.13520 8.91946 2.68626 -226.88005 817.28211
3200.0000 -237.35412 -226.71866 10.63546 2.70200 -226.55010 825.63151
3205.0000 -235.63409 -225.23546 10.39862 2.72830 -225.99867 837.58996
3210.0000 -235.95076 -226.53847 9.41229 2.73556 -225.84643 813.01008
3215.0000 -235.58739 -226.18101 9.40638 2.70774 -226.42970 810.04651
3220.0000 -234.45689 -224.29927 10.15762 2.77879 -224.94008 868.65861
3225.0000 -234.07367 -222.06041 12.01327 2.83543 -223.75260 916.43422
3230.0000 -233.43271 -222.11695 11.31576 2.88839 -222.64212 915.42055
3235.0000 -235.59471 -224.57413 11.02058 2.82351 -224.00244 903.72828
3240.0000 -237.15422 -226.96877 10.18545 2.71921 -226.18930 817.23171
3245.0000 -238.13855 -227.22603 10.91252 2.69490 -226.69884 798.36584
3250.0000 -235.41538 -225.09793 10.31745 2.74593 -225.62905 827.92393
FREEZING PROCESS: loop number 14 T-loop= 842.00000000000000
main_MD> interactions number 14 at Temperature= 842.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80049 -4.43608 0.05379
force_rgl> df(natom) -1.00372 1.64254 -1.03103
3255.0000 -235.54997 -224.00103 11.54894 2.79250 -224.65259 867.63571
3260.0000 -233.66965 -224.57424 9.09541 2.80789 -224.33003 882.77623
3265.0000 -236.54871 -226.96008 9.58863 2.73999 -225.75347 853.26296
3270.0000 -235.80697 -225.31162 10.49535 2.75241 -225.49318 829.25657
3275.0000 -234.94242 -224.26353 10.67890 2.75400 -225.45979 823.88816
3280.0000 -236.41354 -226.42388 9.98966 2.78096 -224.89460 881.12399
3285.0000 -236.93241 -226.63688 10.29553 2.70689 -226.44759 824.34186
3290.0000 -236.94283 -225.26164 11.68120 2.67899 -227.03258 808.94967
3295.0000 -236.17191 -223.24741 12.92450 2.77304 -225.06069 859.86568
3300.0000 -236.03352 -226.23476 9.79876 2.82520 -223.96712 888.57967
3305.0000 -235.10761 -225.23938 9.86823 2.73796 -225.79617 833.02022
3310.0000 -235.44991 -224.84158 10.60833 2.76669 -225.19372 864.36351
3315.0000 -235.30728 -224.11861 11.18867 2.81597 -224.16067 875.23060
3320.0000 -233.58765 -222.47848 11.10917 2.80450 -224.40107 854.65953
3325.0000 -235.85615 -225.88331 9.97284 2.81284 -224.22627 872.24570
3330.0000 -236.37322 -227.16106 9.21215 2.71816 -226.21132 819.92142
3335.0000 -235.73723 -225.32655 10.41068 2.69579 -226.68022 807.39709
3340.0000 -237.02650 -226.80276 10.22374 2.76040 -225.32563 852.68638
3345.0000 -236.21405 -224.06925 12.14480 2.77679 -224.98211 881.29301
3350.0000 -236.99313 -226.99321 9.99992 2.73534 -225.85100 843.73894
3355.0000 -238.10845 -227.59429 10.51416 2.67010 -227.21889 801.51019
3360.0000 -236.10739 -226.04821 10.05918 2.70817 -226.42061 829.24584
3365.0000 -235.68636 -226.72893 8.95743 2.71428 -226.29264 816.69973
3370.0000 -235.57415 -224.66461 10.90954 2.75624 -225.41281 838.43838
3375.0000 -237.60587 -226.37669 11.22918 2.72660 -226.03432 818.58628
3380.0000 -234.61901 -224.70140 9.91761 2.78004 -224.91379 860.50863
3385.0000 -237.67289 -227.79494 9.87795 2.72279 -226.11419 834.83694
3390.0000 -236.56282 -225.56481 10.99801 2.71861 -226.20184 843.24543
3395.0000 -234.79469 -224.62680 10.16789 2.78668 -224.77468 866.44620
3400.0000 -236.04736 -225.55456 10.49280 2.73459 -225.86675 847.88875
3405.0000 -234.56921 -223.64576 10.92345 2.80803 -224.32704 876.58068
3410.0000 -234.99300 -222.48946 12.50354 2.83890 -223.67980 915.37717
3415.0000 -234.00698 -222.75916 11.24781 2.89663 -222.46940 927.56056
3420.0000 -236.48259 -225.78257 10.70003 2.81183 -224.24746 883.97464
3425.0000 -235.54346 -226.18226 9.36119 2.74582 -225.63139 831.97374
3430.0000 -234.91508 -225.50203 9.41305 2.70174 -226.55545 810.58155
3435.0000 -236.87668 -225.68982 11.18686 2.74066 -225.73961 832.74726
3440.0000 -236.77152 -226.93865 9.83287 2.67636 -227.08761 816.42051
3445.0000 -235.39753 -225.00322 10.39430 2.76767 -225.17324 838.50250
3450.0000 -237.31155 -225.20567 12.10588 2.77309 -225.05966 882.19683
3455.0000 -235.36443 -223.62566 11.73877 2.78399 -224.83101 879.22710
3460.0000 -236.68523 -226.51837 10.16686 2.74565 -225.63499 838.13716
3465.0000 -236.21642 -226.55666 9.65977 2.70330 -226.52273 837.01155
3470.0000 -239.52082 -229.10809 10.41273 2.66627 -227.29916 806.82816
3475.0000 -238.31198 -229.67481 8.63717 2.62965 -228.06701 777.51990
3480.0000 -238.07772 -228.03237 10.04535 2.61109 -228.45608 770.40171
3485.0000 -238.42932 -227.84479 10.58453 2.65405 -227.55528 775.64955
3490.0000 -235.87703 -225.87273 10.00430 2.67401 -227.13690 797.08924
3495.0000 -238.47174 -228.43591 10.03584 2.70052 -226.58106 823.74948
3500.0000 -237.10578 -227.95677 9.14902 2.63786 -227.89471 787.23019
FREEZING PROCESS: loop number 15 T-loop= 817.00000000000000
main_MD> interactions number 15 at Temperature= 817.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.52285 3.19626 -0.51562
force_rgl> df(natom) 1.85019 0.69099 -0.23014
3505.0000 -238.25420 -228.98649 9.26771 2.59438 -228.80641 747.38767
3510.0000 -239.32818 -228.20075 11.12743 2.61246 -228.42736 772.22933
3515.0000 -238.58508 -227.74220 10.84288 2.60411 -228.60234 787.33852
3520.0000 -237.05921 -227.00113 10.05808 2.70577 -226.47098 841.35922
3525.0000 -235.71172 -225.04166 10.67006 2.74382 -225.67321 843.52319
3530.0000 -236.65277 -226.30075 10.35202 2.76236 -225.28461 846.30163
3535.0000 -236.53957 -226.27717 10.26240 2.70027 -226.58640 826.06028
3540.0000 -237.40188 -228.51623 8.88565 2.65870 -227.45782 798.52338
3545.0000 -236.95731 -225.95042 11.00689 2.62620 -228.13933 760.28895
3550.0000 -234.89086 -224.53720 10.35366 2.74949 -225.55431 855.28785
3555.0000 -235.80735 -224.54424 11.26311 2.81157 -224.25278 877.02514
3560.0000 -236.44158 -225.45884 10.98274 2.75283 -225.48439 853.32652
3565.0000 -236.02277 -227.51507 8.50771 2.67174 -227.18451 789.83032
3570.0000 -237.16691 -226.81373 10.35318 2.67211 -227.17678 774.52286
3575.0000 -236.44442 -226.84733 9.59709 2.69497 -226.69751 828.41157
3580.0000 -236.81916 -227.13003 9.68913 2.72617 -226.04327 816.67685
3585.0000 -237.58258 -227.23284 10.34974 2.64776 -227.68729 801.91732
3590.0000 -235.34704 -225.29108 10.05596 2.72941 -225.97535 857.18013
3595.0000 -238.93739 -229.37823 9.55916 2.69497 -226.69743 816.25735
3600.0000 -238.13808 -228.74140 9.39667 2.56659 -229.38898 745.68953
3605.0000 -237.58581 -227.88503 9.70078 2.66268 -227.37433 787.09010
3610.0000 -239.01401 -228.69865 10.31536 2.63242 -228.00895 796.17193
3615.0000 -237.33065 -227.08196 10.24870 2.64364 -227.77359 802.02351
3620.0000 -236.52020 -226.09886 10.42134 2.72939 -225.97575 832.88707
3625.0000 -234.76479 -225.41248 9.35231 2.71837 -226.20682 814.46069
3630.0000 -237.07743 -226.85714 10.22029 2.70554 -226.47589 813.87598
3635.0000 -237.43219 -226.49327 10.93892 2.69803 -226.63334 827.70034
3640.0000 -236.80489 -226.78775 10.01715 2.72069 -226.15828 823.74175
3645.0000 -237.71001 -228.02976 9.68026 2.68295 -226.94942 815.82531
3650.0000 -236.63477 -225.64019 10.99458 2.73334 -225.89289 816.87437
3655.0000 -236.70707 -226.96270 9.74437 2.67967 -227.01815 799.18885
3660.0000 -235.77180 -226.37317 9.39863 2.71254 -226.32898 802.26324
3665.0000 -237.37732 -227.02008 10.35724 2.64986 -227.64325 792.52332
3670.0000 -236.09599 -225.01047 11.08552 2.68347 -226.93850 813.08551
3675.0000 -234.95121 -224.93636 10.01485 2.75940 -225.34655 831.29021
3680.0000 -237.00944 -226.79458 10.21485 2.73204 -225.92021 812.85314
3685.0000 -237.39676 -227.06369 10.33307 2.68324 -226.94335 802.71794
3690.0000 -237.48304 -228.17636 9.30668 2.65781 -227.47652 823.20867
3695.0000 -237.56999 -228.16634 9.40365 2.63439 -227.96750 783.08918
3700.0000 -237.33306 -227.35975 9.97331 2.63836 -227.88442 776.00051
3705.0000 -235.11685 -224.85625 10.26060 2.68841 -226.83506 790.30773
3710.0000 -236.71136 -225.55971 11.15165 2.73765 -225.80272 821.04643
3715.0000 -235.35432 -225.17546 10.17886 2.78034 -224.90758 861.94318
3720.0000 -234.70109 -223.48067 11.22042 2.78747 -224.75809 875.47745
3725.0000 -234.58122 -223.51061 11.07061 2.85330 -223.37798 907.51237
3730.0000 -235.19604 -225.10557 10.09047 2.79769 -224.54379 855.35367
3735.0000 -236.97845 -227.65251 9.32594 2.77098 -225.10391 842.13166
3740.0000 -236.39563 -226.08233 10.31330 2.71398 -226.29891 821.18279
3745.0000 -236.82313 -226.04909 10.77405 2.70160 -226.55835 825.17073
3750.0000 -238.10231 -228.17777 9.92453 2.68208 -226.96760 800.97146
FREEZING PROCESS: loop number 16 T-loop= 792.00000000000000
main_MD> interactions number 16 at Temperature= 792.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98095 -1.36141 -4.46450
force_rgl> df(natom) 1.92279 -4.41977 2.76068
3755.0000 -236.53863 -225.51254 11.02609 2.67227 -227.17345 800.78190
3760.0000 -237.92088 -227.77725 10.14363 2.69515 -226.69364 803.29759
3765.0000 -238.23669 -228.37684 9.85985 2.60815 -228.51763 767.73308
3770.0000 -238.24630 -227.88534 10.36096 2.63577 -227.93866 785.90895
3775.0000 -237.42204 -227.12125 10.30079 2.69190 -226.76185 816.77499
3780.0000 -236.86765 -225.65345 11.21420 2.74494 -225.64971 831.48143
3785.0000 -236.35364 -225.52887 10.82477 2.72950 -225.97348 809.79485
3790.0000 -238.01298 -226.65662 11.35636 2.74811 -225.58327 858.40076
3795.0000 -237.18970 -227.63562 9.55408 2.65218 -227.59465 773.97390
3800.0000 -237.48521 -227.14697 10.33824 2.64998 -227.64070 772.32728
3805.0000 -235.69206 -224.99773 10.69432 2.71207 -226.33896 799.92278
3810.0000 -235.54000 -225.79794 9.74206 2.74829 -225.57963 822.90067
3815.0000 -236.12570 -226.46196 9.66374 2.73483 -225.86178 834.59146
3820.0000 -237.86994 -227.08352 10.78642 2.65099 -227.61952 803.87439
3825.0000 -238.45798 -228.51507 9.94290 2.59154 -228.86591 772.32209
3830.0000 -236.68131 -226.12758 10.55372 2.61689 -228.33453 787.40750
3835.0000 -238.52094 -227.33034 11.19060 2.66646 -227.29513 801.45587
3840.0000 -238.54079 -228.92918 9.61161 2.65032 -227.63355 780.52511
3845.0000 -236.56573 -226.92011 9.64562 2.66509 -227.32400 811.90728
3850.0000 -238.53164 -229.05791 9.47374 2.63801 -227.89175 794.70134
3855.0000 -239.15389 -228.72446 10.42943 2.62594 -228.14478 794.26483
3860.0000 -238.80420 -229.17901 9.62519 2.58655 -228.97058 754.13267
3865.0000 -238.32770 -228.47321 9.85450 2.55574 -229.61656 729.83706
3870.0000 -238.30497 -229.45408 8.85089 2.57499 -229.21298 732.76734
3875.0000 -236.83527 -226.67395 10.16133 2.63484 -227.95807 787.44714
3880.0000 -236.85811 -225.77437 11.08373 2.68184 -226.97269 823.92310
3885.0000 -237.08714 -226.11030 10.97684 2.71193 -226.34187 835.50509
3890.0000 -238.02372 -228.78927 9.23446 2.66124 -227.40458 810.56661
3895.0000 -237.67647 -228.08108 9.59540 2.62310 -228.20430 767.28384
3900.0000 -236.37998 -226.86531 9.51468 2.69067 -226.78754 793.73668
3905.0000 -237.35683 -227.04614 10.31068 2.71732 -226.22889 820.90416
3910.0000 -238.12936 -227.89181 10.23755 2.66628 -227.29890 816.12321
3915.0000 -237.96032 -228.85605 9.10427 2.60728 -228.53591 768.87024
3920.0000 -237.23739 -226.65706 10.58034 2.64531 -227.73863 797.72944
3925.0000 -237.47929 -228.38224 9.09705 2.64284 -227.79031 760.52231
3930.0000 -235.40650 -225.91360 9.49289 2.64089 -227.83124 775.81722
3935.0000 -237.18334 -227.95758 9.22577 2.67450 -227.12659 781.75446
3940.0000 -236.83322 -225.77003 11.06319 2.69626 -226.67050 832.21253
3945.0000 -236.46638 -225.50741 10.95897 2.75422 -225.45513 847.67626
3950.0000 -235.25563 -226.22264 9.03299 2.74126 -225.72689 794.77974
3955.0000 -233.76629 -223.99627 9.77002 2.76278 -225.27583 836.87340
3960.0000 -236.46053 -226.40205 10.05848 2.78465 -224.81720 861.14557
3965.0000 -237.30122 -226.18695 11.11427 2.67365 -227.14452 804.14290
3970.0000 -238.77287 -227.69767 11.07521 2.62829 -228.09546 792.20046
3975.0000 -236.53714 -226.63348 9.90366 2.64327 -227.78149 795.99636
3980.0000 -235.67307 -225.29759 10.37548 2.74724 -225.60156 836.65388
3985.0000 -236.51147 -225.88097 10.63050 2.78067 -224.90061 852.51236
3990.0000 -239.01388 -228.85196 10.16192 2.69321 -226.73431 842.02223
3995.0000 -237.41132 -227.35928 10.05205 2.65803 -227.47185 812.81515
4000.0000 -237.91557 -229.13792 8.77766 2.64307 -227.78564 789.36840
FREEZING PROCESS: loop number 17 T-loop= 767.00000000000000
main_MD> interactions number 17 at Temperature= 767.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.64069 1.88603 3.65200
force_rgl> df(natom) 0.70972 -0.51914 0.66175
4005.0000 -236.59914 -227.72258 8.87656 2.62068 -228.25508 758.73131
4010.0000 -237.38779 -227.57183 9.81596 2.62795 -228.10258 754.37703
4015.0000 -237.73264 -227.01125 10.72139 2.66746 -227.27423 806.35345
4020.0000 -236.64907 -226.29465 10.35441 2.68556 -226.89468 789.81088
4025.0000 -239.01378 -230.23573 8.77805 2.65800 -227.47263 785.98820
4030.0000 -239.05138 -229.81974 9.23163 2.57742 -229.16191 750.02288
4035.0000 -238.30864 -228.78885 9.51979 2.56398 -229.44375 738.65465
4040.0000 -239.14447 -229.18946 9.95501 2.57985 -229.11110 759.10312
4045.0000 -239.50640 -228.75298 10.75342 2.61636 -228.34554 759.74973
4050.0000 -239.11590 -229.11886 9.99704 2.62646 -228.13389 781.34385
4055.0000 -237.92141 -227.10512 10.81629 2.59896 -228.71041 778.12992
4060.0000 -237.71447 -228.16440 9.55007 2.60864 -228.50752 773.01356
4065.0000 -239.36856 -230.18186 9.18670 2.55647 -229.60116 723.26749
4070.0000 -239.45853 -231.07642 8.38211 2.50453 -230.69027 694.33916
4075.0000 -238.92289 -230.14694 8.77595 2.52396 -230.28287 714.88150
4080.0000 -237.20871 -228.84516 8.36354 2.55905 -229.54715 746.05445
4085.0000 -238.47375 -229.41798 9.05577 2.55973 -229.53284 711.22415
4090.0000 -240.09507 -231.26436 8.83071 2.54737 -229.79212 746.02799
4095.0000 -237.89061 -229.33665 8.55395 2.56231 -229.47887 729.27388
4100.0000 -238.02070 -228.51895 9.50176 2.58074 -229.09233 736.70307
4105.0000 -237.66122 -227.78842 9.87280 2.61857 -228.29921 771.29762
4110.0000 -237.93852 -227.41296 10.52556 2.67264 -227.16569 810.81641
4115.0000 -238.63113 -228.84749 9.78365 2.65299 -227.57756 808.77448
4120.0000 -240.13851 -230.03259 10.10592 2.56783 -229.36301 737.21411
4125.0000 -238.73392 -230.92647 7.80744 2.54721 -229.79548 698.65177
4130.0000 -237.18107 -228.23450 8.94657 2.60387 -228.60745 761.11443
4135.0000 -236.08364 -227.06901 9.01463 2.61850 -228.30078 771.15438
4140.0000 -237.10838 -226.09394 11.01444 2.70498 -226.48763 811.72245
4145.0000 -236.27344 -227.49079 8.78265 2.68500 -226.90652 794.80769
4150.0000 -238.21464 -228.87612 9.33852 2.64563 -227.73200 800.33660
4155.0000 -239.30374 -229.82797 9.47577 2.56526 -229.41698 752.41349
4160.0000 -239.86091 -229.22607 10.63485 2.57076 -229.30161 747.97822
4165.0000 -239.08573 -230.38805 8.69769 2.53081 -230.13927 727.09324
4170.0000 -238.11580 -229.37344 8.74235 2.55686 -229.59296 739.37879
4175.0000 -236.81537 -227.73818 9.07719 2.61666 -228.33928 774.28953
4180.0000 -235.03492 -224.49797 10.53695 2.73299 -225.90039 811.12299
4185.0000 -235.75493 -224.91206 10.84287 2.80518 -224.38680 860.95181
4190.0000 -235.61556 -226.13047 9.48509 2.77092 -225.10510 861.95376
4195.0000 -236.04847 -226.71103 9.33744 2.71133 -226.35446 816.43461
4200.0000 -237.92339 -228.50763 9.41576 2.68068 -226.99711 802.25833
4205.0000 -239.10515 -229.73596 9.36920 2.57001 -229.31730 727.35002
4210.0000 -239.29797 -230.70132 8.59664 2.53733 -230.00247 725.88973
4215.0000 -239.33033 -230.12601 9.20432 2.55129 -229.70975 739.95613
4220.0000 -240.97455 -231.81700 9.15755 2.51759 -230.41647 712.41622
4225.0000 -238.83296 -230.17146 8.66150 2.48927 -231.01012 704.14497
4230.0000 -238.13952 -228.60278 9.53673 2.57865 -229.13610 747.73584
4235.0000 -237.33974 -228.55793 8.78181 2.60500 -228.58377 780.61736
4240.0000 -237.94895 -229.00607 8.94289 2.57840 -229.14140 743.44005
4245.0000 -239.51836 -230.09787 9.42049 2.58558 -228.99100 757.97683
4250.0000 -238.63610 -228.52695 10.10916 2.56645 -229.39189 743.78359
FREEZING PROCESS: loop number 18 T-loop= 742.00000000000000
main_MD> interactions number 18 at Temperature= 742.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.84497 -1.81446 -2.88267
force_rgl> df(natom) 0.41018 0.69811 -0.95185
4255.0000 -239.25827 -229.38472 9.87354 2.59005 -228.89717 739.15780
4260.0000 -239.37629 -229.57070 9.80559 2.57826 -229.14448 750.66129
4265.0000 -238.08644 -228.94885 9.13760 2.59378 -228.81906 737.72546
4270.0000 -238.44773 -229.03556 9.41217 2.57625 -229.18650 736.45787
4275.0000 -236.97260 -228.23641 8.73619 2.62959 -228.06824 771.74319
4280.0000 -237.37387 -227.85884 9.51503 2.62559 -228.15211 771.00297
4285.0000 -237.89731 -228.09531 9.80201 2.62047 -228.25950 759.73154
4290.0000 -239.58031 -229.51828 10.06203 2.56765 -229.36688 760.51335
4295.0000 -238.19745 -228.78333 9.41412 2.56089 -229.50861 739.95362
4300.0000 -239.04552 -229.32562 9.71990 2.52704 -230.21827 731.96072
4305.0000 -239.73072 -229.83543 9.89529 2.54107 -229.92406 755.61480
4310.0000 -238.83977 -229.05497 9.78480 2.56376 -229.44828 742.53660
4315.0000 -236.80202 -227.52670 9.27532 2.54257 -229.89271 719.73977
4320.0000 -238.54011 -228.96013 9.57999 2.61763 -228.31885 768.84334
4325.0000 -238.29791 -229.19929 9.09862 2.61906 -228.28900 760.83037
4330.0000 -238.71979 -229.31124 9.40855 2.57668 -229.17760 748.05120
4335.0000 -237.53942 -228.54279 8.99663 2.56611 -229.39903 745.84325
4340.0000 -237.59418 -227.95759 9.63660 2.63596 -227.93462 772.12458
4345.0000 -239.64961 -229.75139 9.89822 2.56933 -229.33153 764.94651
4350.0000 -239.44428 -228.77047 10.67381 2.58549 -228.99277 759.64842
4355.0000 -238.72647 -229.51979 9.20667 2.57652 -229.18082 740.68353
4360.0000 -239.56225 -229.81712 9.74513 2.49696 -230.84885 696.73568
4365.0000 -238.12433 -229.18673 8.93760 2.57022 -229.31304 751.49924
4370.0000 -240.90772 -230.25494 10.65278 2.54494 -229.84295 736.82395
4375.0000 -238.18699 -229.84806 8.33893 2.49916 -230.80288 683.46054
4380.0000 -238.41028 -227.91932 10.49096 2.61856 -228.29953 777.85046
4385.0000 -237.10476 -227.04501 10.05974 2.60586 -228.56569 759.87776
4390.0000 -240.52710 -230.71098 9.81612 2.58285 -229.04820 728.10912
4395.0000 -237.30408 -228.28767 9.01642 2.54562 -229.82867 725.74361
4400.0000 -237.13636 -227.66355 9.47281 2.62787 -228.10435 775.97518
4405.0000 -238.80467 -229.06598 9.73868 2.62439 -228.17716 778.60480
4410.0000 -237.46722 -230.30818 7.15904 2.52617 -230.23652 709.94201
4415.0000 -239.59598 -230.30933 9.28665 2.53282 -230.09716 716.49659
4420.0000 -238.88545 -230.00048 8.88496 2.53807 -229.98693 720.68254
4425.0000 -239.15547 -229.62632 9.52915 2.56348 -229.45428 739.81328
4430.0000 -238.51697 -229.60731 8.90966 2.55187 -229.69772 744.13532
4435.0000 -238.32318 -229.28164 9.04154 2.53554 -230.03999 723.94016
4440.0000 -237.73936 -228.69546 9.04390 2.61035 -228.47168 746.07159
4445.0000 -236.04887 -227.91677 8.13209 2.61588 -228.35557 778.20719
4450.0000 -238.85705 -228.86106 9.99599 2.63658 -227.92163 784.77681
4455.0000 -236.99909 -227.74069 9.25840 2.60467 -228.59075 751.83068
4460.0000 -239.02999 -229.47790 9.55208 2.60159 -228.65533 757.85225
4465.0000 -237.99731 -229.30259 8.69472 2.55909 -229.54629 722.39488
4470.0000 -236.41397 -227.16192 9.25205 2.58832 -228.93343 747.91505
4475.0000 -239.06194 -229.23854 9.82339 2.59005 -228.89712 757.78457
4480.0000 -238.59161 -229.38612 9.20550 2.59622 -228.76781 748.68782
4485.0000 -236.04331 -226.66789 9.37542 2.65339 -227.56927 792.43289
4490.0000 -239.18116 -228.96652 10.21464 2.66594 -227.30599 801.63859
4495.0000 -238.49851 -229.46908 9.02943 2.57603 -229.19118 754.63021
4500.0000 -237.42084 -229.54451 7.87633 2.56172 -229.49124 733.41372
FREEZING PROCESS: loop number 19 T-loop= 717.00000000000000
main_MD> interactions number 19 at Temperature= 717.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84381 2.42943 -0.61872
force_rgl> df(natom) 3.65134 5.17273 -2.21393
4505.0000 -238.80155 -228.99228 9.80927 2.56545 -229.41296 731.28229
4510.0000 -238.01843 -228.34594 9.67249 2.57498 -229.21310 735.17253
4515.0000 -238.11653 -229.00505 9.11149 2.61292 -228.41760 771.87574
4520.0000 -239.88074 -230.53106 9.34968 2.59621 -228.76799 771.53522
4525.0000 -238.01092 -229.27104 8.73989 2.55545 -229.62265 714.71888
4530.0000 -239.25330 -230.06078 9.19252 2.56004 -229.52641 731.85970
4535.0000 -238.79611 -230.13472 8.66138 2.51930 -230.38057 709.51497
4540.0000 -240.02740 -231.30155 8.72585 2.50488 -230.68296 700.20735
4545.0000 -240.48683 -230.83448 9.65235 2.48957 -231.00378 678.73778
4550.0000 -238.94314 -229.71825 9.22489 2.50994 -230.57670 702.92837
4555.0000 -239.91042 -230.30008 9.61034 2.54955 -229.74639 725.72676
4560.0000 -240.31190 -231.86268 8.44923 2.46960 -231.42262 693.37155
4565.0000 -238.39216 -230.71507 7.67709 2.50483 -230.68400 707.55968
4570.0000 -238.60989 -229.37788 9.23201 2.53871 -229.97367 724.46661
4575.0000 -239.29851 -230.51963 8.77888 2.53768 -229.99517 735.24749
4580.0000 -238.02583 -229.86076 8.16507 2.52596 -230.24087 728.09301
4585.0000 -239.60886 -231.23194 8.37691 2.50656 -230.64755 684.41932
4590.0000 -239.97969 -231.49906 8.48063 2.50199 -230.74346 693.16394
4595.0000 -239.85714 -231.23602 8.62111 2.46773 -231.46174 685.27143
4600.0000 -239.89075 -230.68161 9.20914 2.48192 -231.16422 677.34850
4605.0000 -238.53581 -230.56257 7.97323 2.51047 -230.56573 689.88120
4610.0000 -238.68236 -229.51272 9.16964 2.55110 -229.71374 712.00469
4615.0000 -239.86354 -230.53180 9.33174 2.51974 -230.37129 715.60013
4620.0000 -239.53066 -231.50785 8.02280 2.49559 -230.87761 704.15424
4625.0000 -241.42631 -233.63125 7.79505 2.42870 -232.28015 661.53270
4630.0000 -240.42084 -230.92662 9.49422 2.42324 -232.39452 642.31627
4635.0000 -238.28455 -229.63247 8.65207 2.50623 -230.65464 693.42436
4640.0000 -237.87015 -229.33048 8.53967 2.59585 -228.77554 727.72900
4645.0000 -239.20997 -230.15194 9.05803 2.58374 -229.02955 745.41441
4650.0000 -238.82053 -229.06280 9.75773 2.56926 -229.33318 750.09386
4655.0000 -238.91958 -230.86785 8.05173 2.50903 -230.59587 687.63490
4660.0000 -237.26480 -229.14344 8.12136 2.50849 -230.60727 675.85303
4665.0000 -238.61375 -230.11361 8.50014 2.54000 -229.94651 709.15053
4670.0000 -238.27318 -229.78154 8.49164 2.53144 -230.12592 717.27716
4675.0000 -240.79718 -231.53302 9.26416 2.48056 -231.19273 694.26520
4680.0000 -238.82065 -230.93431 7.88634 2.46742 -231.46819 691.15098
4685.0000 -239.01783 -229.85178 9.16605 2.52205 -230.32295 729.81977
4690.0000 -240.08169 -229.41418 10.66750 2.54127 -229.91993 704.70024
4695.0000 -238.13834 -230.13364 8.00470 2.51080 -230.55865 685.63665
4700.0000 -239.25798 -230.42700 8.83099 2.50694 -230.63966 703.33247
4705.0000 -240.13441 -230.68947 9.44495 2.48608 -231.07702 678.76802
4710.0000 -240.20338 -231.92110 8.28229 2.46885 -231.43828 683.16445
4715.0000 -240.61589 -231.67203 8.94386 2.46140 -231.59444 658.57452
4720.0000 -241.90551 -233.39463 8.51088 2.43442 -232.16021 664.51138
4725.0000 -240.73670 -231.98808 8.74863 2.41497 -232.56780 662.59923
4730.0000 -240.23267 -230.75656 9.47610 2.48930 -231.00947 692.94561
4735.0000 -239.46555 -231.11479 8.35076 2.50987 -230.57823 706.29978
4740.0000 -237.04512 -228.61220 8.43291 2.56414 -229.44039 743.47696
4745.0000 -239.95553 -232.08307 7.87246 2.52750 -230.20855 721.87009
4750.0000 -240.23066 -231.70221 8.52845 2.43402 -232.16843 639.03721
FREEZING PROCESS: loop number 20 T-loop= 692.00000000000000
main_MD> interactions number 20 at Temperature= 692.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.55030 -3.74271 3.78281
force_rgl> df(natom) 1.89210 3.50971 2.10845
4755.0000 -240.96655 -231.79289 9.17366 2.45853 -231.65467 676.72001
4760.0000 -240.61209 -232.50613 8.10595 2.45090 -231.81459 664.85521
4765.0000 -239.19706 -229.91371 9.28335 2.49659 -230.85659 709.21735
4770.0000 -236.74893 -227.80370 8.94523 2.54815 -229.77559 713.97874
4775.0000 -238.46483 -229.78630 8.67853 2.60620 -228.55864 740.04233
4780.0000 -239.38927 -231.80754 7.58173 2.48807 -231.03529 661.93823
4785.0000 -239.80607 -231.36934 8.43673 2.49503 -230.88938 685.81408
4790.0000 -241.24196 -231.20428 10.03768 2.44896 -231.85537 670.34715
4795.0000 -240.23007 -232.55656 7.67351 2.42558 -232.34541 658.75395
4800.0000 -239.53494 -231.00175 8.53319 2.50946 -230.58690 703.48812
4805.0000 -239.43233 -230.71897 8.71336 2.46479 -231.52337 661.78099
4810.0000 -238.63627 -230.58023 8.05605 2.51180 -230.53778 716.47908
4815.0000 -238.90911 -229.45135 9.45776 2.51253 -230.52238 704.03763
4820.0000 -239.09519 -230.31317 8.78202 2.56277 -229.46914 745.72851
4825.0000 -240.65352 -231.53718 9.11634 2.49890 -230.80816 701.97391
4830.0000 -240.69843 -230.98776 9.71067 2.48743 -231.04877 708.62458
4835.0000 -241.03353 -233.68510 7.34842 2.42217 -232.41691 662.43555
4840.0000 -241.06782 -232.94208 8.12574 2.40790 -232.71612 647.69423
4845.0000 -238.93405 -230.53834 8.39571 2.45685 -231.68986 674.23391
4850.0000 -240.23076 -231.80588 8.42488 2.52974 -230.16163 730.40780
4855.0000 -239.66722 -231.66979 7.99743 2.45832 -231.65907 672.74340
4860.0000 -238.32914 -229.30820 9.02094 2.47666 -231.27451 687.29132
4865.0000 -239.74261 -230.44570 9.29692 2.55760 -229.57757 709.08005
4870.0000 -237.75456 -228.40432 9.35024 2.57461 -229.22093 738.97076
4875.0000 -238.86190 -229.29547 9.56643 2.62889 -228.08296 746.17612
4880.0000 -237.17523 -228.06494 9.11030 2.61619 -228.34916 766.51047
4885.0000 -238.01426 -229.94885 8.06540 2.58751 -228.95038 742.71400
4890.0000 -240.26296 -232.80525 7.45771 2.42623 -232.33179 666.54286
4895.0000 -240.11120 -232.29648 7.81472 2.41236 -232.62272 665.90755
4900.0000 -239.77435 -232.01967 7.75467 2.44789 -231.87780 670.41807
4905.0000 -240.00259 -231.62493 8.37766 2.44023 -232.03838 650.69482
4910.0000 -238.63052 -229.76076 8.86976 2.51987 -230.36852 719.67591
4915.0000 -239.07774 -230.16697 8.91077 2.50886 -230.59941 699.75771
4920.0000 -239.59941 -230.70693 8.89248 2.50683 -230.64190 709.89436
4925.0000 -240.09139 -232.41687 7.67452 2.44336 -231.97266 651.54947
4930.0000 -238.38720 -230.76131 7.62589 2.47360 -231.33869 670.81277
4935.0000 -238.51408 -229.47569 9.03839 2.52066 -230.35202 705.83487
4940.0000 -240.46423 -231.49085 8.97337 2.47568 -231.29503 670.73213
4945.0000 -240.25880 -231.27983 8.97897 2.46603 -231.49748 679.95520
4950.0000 -239.92916 -232.22551 7.70365 2.46685 -231.48029 675.34823
4955.0000 -241.52410 -232.93071 8.59339 2.39621 -232.96118 646.07269
4960.0000 -240.56678 -231.84076 8.72601 2.43285 -232.19311 643.39634
4965.0000 -240.33994 -231.34619 8.99375 2.48841 -231.02827 686.52349
4970.0000 -239.10016 -230.59777 8.50239 2.49958 -230.79399 679.66530
4975.0000 -241.07250 -231.92048 9.15203 2.49977 -230.78993 685.40877
4980.0000 -239.47781 -231.14569 8.33212 2.46632 -231.49122 700.25317
4985.0000 -238.71616 -230.14373 8.57243 2.49888 -230.80857 692.88980
4990.0000 -240.90883 -233.09870 7.81014 2.46907 -231.43375 673.24142
4995.0000 -241.01426 -233.69449 7.31977 2.39507 -232.98509 642.97788
5000.0000 -241.10291 -231.18744 9.91547 2.41756 -232.51355 636.67382
FREEZING PROCESS: loop number 21 T-loop= 667.00000000000000
main_MD> interactions number 21 at Temperature= 667.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45061 0.56796 -1.35170
force_rgl> df(natom) 1.85138 -0.65549 -0.02432
5005.0000 -241.60653 -233.30717 8.29936 2.40707 -232.73356 645.49577
5010.0000 -240.31123 -232.87290 7.43834 2.36838 -233.54461 631.81375
5015.0000 -240.46298 -231.24602 9.21696 2.46840 -231.44761 681.22205
5020.0000 -242.00513 -232.66520 9.33993 2.44828 -231.86945 674.57106
5025.0000 -240.69764 -231.53798 9.15966 2.41494 -232.56854 642.60994
5030.0000 -241.35634 -232.24713 9.10920 2.45307 -231.76911 665.83788
5035.0000 -241.21813 -234.11752 7.10061 2.37569 -233.39144 614.34739
5040.0000 -240.49299 -233.28825 7.20474 2.36566 -233.60172 625.41707
5045.0000 -239.37860 -231.29853 8.08007 2.43311 -232.18751 658.19075
5050.0000 -240.31520 -231.47531 8.83989 2.49746 -230.83837 683.09130
5055.0000 -239.62759 -230.48873 9.13886 2.47446 -231.32062 694.11775
5060.0000 -241.63337 -233.06716 8.56621 2.43694 -232.10724 686.84263
5065.0000 -240.01765 -232.55871 7.45894 2.41513 -232.56455 634.70507
5070.0000 -238.54009 -230.43267 8.10742 2.43589 -232.12938 677.98893
5075.0000 -240.10899 -232.88936 7.21964 2.44607 -231.91581 653.78463
5080.0000 -240.60622 -232.74482 7.86139 2.40269 -232.82539 656.46155
5085.0000 -238.24378 -230.86087 7.38291 2.48264 -231.14907 690.77538
5090.0000 -240.38632 -232.68468 7.70164 2.42239 -232.41232 649.68216
5095.0000 -241.32935 -232.92615 8.40321 2.44189 -232.00358 665.50836
5100.0000 -240.98221 -233.52968 7.45253 2.41212 -232.62760 649.88317
5105.0000 -240.61263 -232.69741 7.91522 2.37485 -233.40903 656.05993
5110.0000 -240.08082 -232.32478 7.75604 2.40217 -232.83632 656.62481
5115.0000 -240.53767 -233.70301 6.83466 2.42964 -232.26033 658.34454
5120.0000 -240.33447 -232.17389 8.16058 2.39380 -233.01169 638.50457
5125.0000 -239.97813 -231.94709 8.03104 2.43978 -232.04784 674.33471
5130.0000 -240.79300 -231.68657 9.10643 2.43336 -232.18235 666.58916
5135.0000 -239.93075 -232.23321 7.69754 2.45532 -231.72199 640.70937
5140.0000 -241.29158 -232.50313 8.78846 2.41234 -232.62306 645.81607
5145.0000 -242.17390 -234.10951 8.06439 2.38737 -233.14651 635.56325
5150.0000 -240.42817 -233.20353 7.22464 2.36747 -233.56384 625.53509
5155.0000 -240.44306 -231.72959 8.71347 2.39322 -233.02383 644.58814
5160.0000 -240.65175 -232.95815 7.69360 2.44663 -231.90418 678.28311
5165.0000 -239.55503 -232.19885 7.35617 2.41923 -232.47855 633.60328
5170.0000 -239.88054 -230.06170 9.81884 2.48575 -231.08388 660.16571
5175.0000 -239.12390 -230.21774 8.90616 2.51838 -230.39983 716.91615
5180.0000 -240.35220 -231.83719 8.51501 2.48039 -231.19631 696.28768
5185.0000 -237.97176 -230.41224 7.55951 2.47233 -231.36520 670.45672
5190.0000 -240.53569 -232.01689 8.51881 2.46870 -231.44131 682.37465
5195.0000 -240.43988 -231.38979 9.05009 2.40872 -232.69892 659.87893
5200.0000 -241.76738 -233.15780 8.60959 2.42465 -232.36502 662.36924
5205.0000 -240.67525 -232.52931 8.14594 2.42094 -232.44270 651.45720
5210.0000 -240.58893 -233.53303 7.05590 2.39251 -233.03878 653.78046
5215.0000 -240.73301 -232.78652 7.94649 2.41638 -232.53838 683.56306
5220.0000 -241.66445 -233.50024 8.16421 2.40125 -232.85566 658.30150
5225.0000 -241.74743 -233.40450 8.34293 2.37169 -233.47538 622.90633
5230.0000 -241.01011 -233.35657 7.65354 2.42992 -232.25440 662.47804
5235.0000 -241.17846 -233.47547 7.70299 2.38500 -233.19624 629.32592
5240.0000 -241.42195 -234.08519 7.33676 2.35616 -233.80093 613.94614
5245.0000 -239.21796 -231.71716 7.50079 2.40105 -232.85968 645.12508
5250.0000 -241.23059 -232.35810 8.87249 2.46134 -231.59570 664.91295
FREEZING PROCESS: loop number 22 T-loop= 642.00000000000000
main_MD> interactions number 22 at Temperature= 642.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41655 -1.23957 -1.80274
force_rgl> df(natom) 2.03461 -0.39383 0.70515
5255.0000 -240.57361 -232.88833 7.68528 2.37878 -233.32658 637.72843
5260.0000 -242.01684 -233.52705 8.48979 2.38515 -233.19310 653.72339
5265.0000 -241.49834 -232.64023 8.85811 2.37708 -233.36234 665.55066
5270.0000 -240.94960 -232.91956 8.03004 2.41261 -232.61742 650.41942
5275.0000 -241.61850 -233.82156 7.79695 2.40543 -232.76789 647.38608
5280.0000 -240.95091 -231.91503 9.03588 2.39054 -233.08014 656.57858
5285.0000 -239.59430 -230.77787 8.81643 2.46043 -231.61488 684.55708
5290.0000 -240.93178 -233.49823 7.43356 2.43384 -232.17235 677.00668
5295.0000 -241.78182 -234.21044 7.57137 2.36967 -233.51775 628.47673
5300.0000 -240.98899 -234.65169 6.33729 2.35129 -233.90292 593.17828
5305.0000 -241.47944 -233.07395 8.40550 2.36503 -233.61496 634.21519
5310.0000 -241.47438 -233.58434 7.89004 2.40021 -232.87727 652.50460
5315.0000 -240.26220 -233.89019 6.37201 2.34467 -234.04171 600.46071
5320.0000 -241.22959 -234.89065 6.33895 2.33868 -234.16740 604.22881
5325.0000 -240.89377 -233.45085 7.44292 2.35735 -233.77606 616.76284
5330.0000 -240.90897 -232.46920 8.43977 2.38843 -233.12427 652.87423
5335.0000 -242.87592 -234.45024 8.42568 2.39237 -233.04169 652.11929
5340.0000 -240.75675 -232.23738 8.51937 2.34512 -234.03236 616.28628
5345.0000 -241.80095 -232.84925 8.95171 2.44258 -231.98898 669.49037
5350.0000 -241.53848 -233.86982 7.66866 2.37394 -233.42809 625.56038
5355.0000 -240.72907 -233.13126 7.59780 2.35398 -233.84662 609.68601
5360.0000 -239.68969 -232.54860 7.14109 2.39887 -232.90536 631.86539
5365.0000 -240.31999 -231.79435 8.52564 2.45593 -231.70920 658.06240
5370.0000 -242.14554 -233.77332 8.37222 2.39973 -232.88752 640.69659
5375.0000 -240.95084 -233.89771 7.05312 2.33557 -234.23263 583.87465
5380.0000 -238.98037 -231.67253 7.30784 2.40835 -232.70665 627.38471
5385.0000 -238.60980 -230.55747 8.05233 2.47378 -231.33495 692.14471
5390.0000 -239.69427 -231.07479 8.61948 2.49594 -230.87040 679.57678
5395.0000 -240.01085 -232.69622 7.31463 2.43921 -232.05961 652.60338
5400.0000 -240.56339 -232.76189 7.80149 2.42463 -232.36530 648.99653
5405.0000 -240.41312 -231.81732 8.59581 2.44079 -232.02654 668.52438
5410.0000 -239.80537 -232.73989 7.06548 2.41343 -232.60015 638.11454
5415.0000 -240.71584 -233.38033 7.33551 2.41172 -232.63608 654.91963
5420.0000 -241.04403 -233.85393 7.19010 2.36997 -233.51147 629.95509
5425.0000 -240.98668 -233.68671 7.29997 2.36311 -233.65517 632.96446
5430.0000 -241.67949 -233.60648 8.07301 2.40825 -232.70876 641.63356
5435.0000 -239.99300 -232.38804 7.60496 2.36250 -233.66806 625.79086
5440.0000 -240.98119 -233.84963 7.13156 2.44258 -231.98899 641.81421
5445.0000 -240.60942 -232.64284 7.96658 2.37775 -233.34833 615.98546
5450.0000 -241.51608 -233.01527 8.50080 2.40406 -232.79663 630.93550
5455.0000 -241.10042 -232.52539 8.57504 2.40045 -232.87228 652.03946
5460.0000 -239.88432 -233.05753 6.82679 2.38181 -233.26315 613.38463
5465.0000 -240.36374 -231.90160 8.46214 2.41883 -232.48690 620.29554
5470.0000 -240.28047 -232.89751 7.38296 2.42286 -232.40253 642.53258
5475.0000 -241.38613 -233.45824 7.92788 2.37495 -233.40690 613.65548
5480.0000 -240.20917 -231.71152 8.49765 2.42069 -232.44788 641.26237
5485.0000 -240.20638 -233.61078 6.59560 2.39217 -233.04597 614.11064
5490.0000 -240.43826 -233.02875 7.40950 2.39312 -233.02595 621.98354
5495.0000 -240.08454 -232.14179 7.94274 2.44874 -231.85986 626.03593
5500.0000 -240.18413 -232.20555 7.97858 2.42596 -232.33753 627.25643
FREEZING PROCESS: loop number 23 T-loop= 617.00000000000000
main_MD> interactions number 23 at Temperature= 617.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88436 -2.11000 0.12778
force_rgl> df(natom) 0.63196 -0.25772 -1.52629
5505.0000 -242.36129 -233.08198 9.27931 2.39869 -232.90916 618.69340
5510.0000 -240.47874 -232.21071 8.26803 2.39579 -232.97004 613.80533
5515.0000 -241.64936 -233.31914 8.33022 2.38942 -233.10355 625.27101
5520.0000 -240.06651 -232.18140 7.88511 2.39613 -232.96295 629.96885
5525.0000 -239.76684 -231.99990 7.76694 2.46846 -231.44634 681.83686
5530.0000 -240.52193 -232.70767 7.81426 2.42870 -232.28006 652.47947
5535.0000 -241.30707 -233.49577 7.81130 2.38125 -233.27477 649.19409
5540.0000 -241.92186 -235.03443 6.88743 2.34224 -234.09268 626.61014
5545.0000 -242.13914 -235.02260 7.11653 2.30885 -234.79275 590.67021
5550.0000 -241.28095 -232.92415 8.35680 2.34494 -234.03621 615.97445
5555.0000 -241.85324 -233.57415 8.27908 2.36706 -233.57230 605.93927
5560.0000 -240.43349 -233.36902 7.06448 2.37061 -233.49804 618.89094
5565.0000 -240.06571 -231.69966 8.36605 2.41066 -232.65818 666.75030
5570.0000 -240.87411 -233.01596 7.85815 2.42071 -232.44766 667.52611
5575.0000 -239.91834 -232.63955 7.27879 2.40014 -232.87886 655.58352
5580.0000 -241.03156 -232.53788 8.49368 2.39780 -232.92780 631.83646
5585.0000 -242.52163 -235.28931 7.23232 2.37194 -233.47009 613.34917
5590.0000 -242.66097 -234.90186 7.75912 2.32395 -234.47629 592.62340
5595.0000 -241.48800 -234.58518 6.90281 2.29532 -235.07657 575.67489
5600.0000 -241.16529 -232.88422 8.28107 2.33109 -234.32650 610.15544
5605.0000 -241.04670 -234.19012 6.85658 2.38252 -233.24820 643.29394
5610.0000 -242.29721 -234.72775 7.56947 2.29841 -235.01175 608.45855
5615.0000 -242.29620 -234.89973 7.39647 2.27710 -235.45855 598.39780
5620.0000 -243.45290 -234.81089 8.64201 2.31371 -234.69091 637.23141
5625.0000 -242.40201 -234.72960 7.67241 2.32489 -234.45652 621.41422
5630.0000 -241.95451 -234.18574 7.76877 2.32192 -234.51883 605.79179
5635.0000 -242.05741 -233.13415 8.92326 2.40912 -232.69061 660.08517
5640.0000 -241.65545 -232.60006 9.05539 2.40046 -232.87221 666.62686
5645.0000 -240.94070 -232.17132 8.76938 2.40517 -232.77333 660.00630
5650.0000 -240.67189 -232.58125 8.09064 2.40572 -232.76181 663.37895
5655.0000 -241.02505 -233.37945 7.64560 2.38395 -233.21837 632.95990
5660.0000 -240.66314 -233.40321 7.25992 2.37794 -233.34417 620.79012
5665.0000 -241.22614 -232.66395 8.56219 2.40417 -232.79438 663.48604
5670.0000 -240.77369 -231.70180 9.07189 2.42051 -232.45178 664.68922
5675.0000 -241.39991 -233.04453 8.35538 2.37616 -233.38159 616.82178
5680.0000 -239.82046 -231.66320 8.15726 2.44078 -232.02683 649.70951
5685.0000 -239.60442 -231.94439 7.66003 2.46556 -231.50715 638.57693
5690.0000 -240.43500 -231.98657 8.44843 2.46845 -231.44655 669.46698
5695.0000 -240.17898 -232.09834 8.08064 2.41973 -232.46811 646.04190
5700.0000 -241.64386 -234.23861 7.40525 2.36425 -233.63119 621.18272
5705.0000 -241.29499 -233.58468 7.71031 2.34044 -234.13059 590.03555
5710.0000 -241.73065 -233.60094 8.12971 2.39314 -233.02557 654.52452
5715.0000 -241.72608 -233.69096 8.03511 2.35765 -233.76968 632.01135
5720.0000 -240.86627 -233.07062 7.79564 2.35349 -233.85687 616.90103
5725.0000 -240.86810 -233.78011 7.08799 2.37631 -233.37845 622.14519
5730.0000 -242.53878 -234.77582 7.76296 2.31924 -234.57493 593.79347
5735.0000 -241.68216 -233.33040 8.35176 2.37606 -233.38377 658.81995
5740.0000 -242.34065 -235.33764 7.00301 2.30026 -234.97284 591.57539
5745.0000 -242.92378 -234.53959 8.38419 2.28741 -235.24227 589.53058
5750.0000 -243.22963 -235.60977 7.61986 2.28545 -235.28349 602.71798
FREEZING PROCESS: loop number 24 T-loop= 592.00000000000000
main_MD> interactions number 24 at Temperature= 592.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86043 -0.72734 0.21133
force_rgl> df(natom) 2.54569 -2.85793 2.36158
5755.0000 -242.47688 -234.53123 7.94565 2.27461 -235.51068 585.54376
5760.0000 -242.34986 -234.90042 7.44944 2.29357 -235.11324 569.05379
5765.0000 -242.05551 -235.28155 6.77396 2.27607 -235.48013 573.60709
5770.0000 -241.86677 -235.08227 6.78450 2.27525 -235.49718 571.12903
5775.0000 -240.80348 -233.46697 7.33651 2.34093 -234.12020 620.49046
5780.0000 -242.28693 -234.79254 7.49438 2.32091 -234.54000 600.42148
5785.0000 -241.40458 -235.35326 6.05133 2.30385 -234.89772 587.39372
5790.0000 -241.08008 -233.89033 7.18975 2.32052 -234.54822 581.80019
5795.0000 -242.52065 -234.86840 7.65225 2.35503 -233.82451 608.20365
5800.0000 -242.48685 -236.03765 6.44919 2.29469 -235.08965 578.49758
5805.0000 -242.78119 -234.87765 7.90354 2.26300 -235.75405 574.87962
5810.0000 -242.32332 -234.82283 7.50049 2.25448 -235.93267 570.34393
5815.0000 -241.64428 -234.31341 7.33086 2.32046 -234.54936 607.25760
5820.0000 -242.34456 -235.28281 7.06175 2.30636 -234.84492 601.39570
5825.0000 -242.08595 -234.92447 7.16147 2.28947 -235.19903 597.44621
5830.0000 -241.93220 -234.66838 7.26382 2.29094 -235.16824 599.89646
5835.0000 -241.47642 -234.39857 7.07785 2.29391 -235.10611 600.63246
5840.0000 -241.86531 -233.61874 8.24657 2.32083 -234.54166 604.02432
5845.0000 -240.31302 -232.53773 7.77530 2.39764 -232.93127 643.36382
5850.0000 -241.27856 -233.74404 7.53452 2.37631 -233.37835 627.75658
5855.0000 -239.45953 -232.73774 6.72178 2.37242 -233.46009 618.79077
5860.0000 -242.51452 -235.45262 7.06190 2.34184 -234.10109 597.38708
5865.0000 -241.43228 -233.23715 8.19513 2.36570 -233.60079 617.29259
5870.0000 -242.58282 -234.58818 7.99465 2.34128 -234.11297 604.89335
5875.0000 -242.07599 -234.48176 7.59423 2.34470 -234.04119 604.50124
5880.0000 -241.87736 -233.70273 8.17463 2.35914 -233.73846 600.01452
5885.0000 -242.80464 -235.42167 7.38297 2.32676 -234.41731 594.49999
5890.0000 -241.72497 -235.56163 6.16334 2.27294 -235.54565 555.77450
5895.0000 -241.88259 -234.49991 7.38268 2.34434 -234.04872 600.54215
5900.0000 -242.67143 -234.97071 7.70072 2.31657 -234.63090 596.37534
5905.0000 -241.99246 -235.30787 6.68459 2.30973 -234.77441 604.45432
5910.0000 -241.99717 -236.10566 5.89151 2.26865 -235.63573 573.68504
5915.0000 -242.50909 -235.67878 6.83031 2.26423 -235.72825 560.62765
5920.0000 -243.02860 -235.69380 7.33480 2.26773 -235.65493 575.88085
5925.0000 -243.18301 -235.37585 7.80716 2.24283 -236.17705 574.43334
5930.0000 -242.46438 -234.36757 8.09681 2.28755 -235.23947 588.64209
5935.0000 -242.74524 -235.90031 6.84494 2.32004 -234.55813 605.41915
5940.0000 -242.61295 -235.71746 6.89549 2.23147 -236.41509 533.02136
5945.0000 -240.85530 -232.61111 8.24419 2.34603 -234.01329 615.08576
5950.0000 -242.10241 -233.32309 8.77932 2.42187 -232.42319 674.17401
5955.0000 -240.37990 -233.81366 6.56623 2.38022 -233.29642 612.80976
5960.0000 -242.54698 -235.21800 7.32899 2.30431 -234.88805 571.56533
5965.0000 -241.24466 -234.41231 6.83235 2.32099 -234.53838 594.23460
5970.0000 -240.71972 -233.36160 7.35811 2.35387 -233.84891 590.85789
5975.0000 -241.62340 -233.61282 8.01058 2.34904 -233.95017 600.70246
5980.0000 -243.15858 -235.73155 7.42703 2.30367 -234.90144 579.68361
5985.0000 -242.14125 -234.31960 7.82165 2.27147 -235.57645 568.49034
5990.0000 -241.56363 -235.06397 6.49966 2.28048 -235.38756 557.52418
5995.0000 -241.70522 -234.75652 6.94869 2.29511 -235.08095 563.00557
6000.0000 -242.74704 -235.32530 7.42174 2.29846 -235.01062 575.14621
FREEZING PROCESS: loop number 25 T-loop= 567.00000000000000
main_MD> interactions number 25 at Temperature= 567.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.69989 -0.67174 -0.29862
force_rgl> df(natom) 1.66753 -1.06597 -2.72342
6005.0000 -242.65926 -236.18764 6.47162 2.28984 -235.19146 562.86635
6010.0000 -242.67332 -236.05479 6.61853 2.23297 -236.38368 521.46335
6015.0000 -242.80319 -236.40561 6.39758 2.25847 -235.84898 549.18684
6020.0000 -242.74691 -235.63584 7.11107 2.26646 -235.68146 546.05239
6025.0000 -241.67202 -234.73877 6.93326 2.31574 -234.64836 577.07108
6030.0000 -243.34501 -236.21783 7.12719 2.27929 -235.41257 557.49029
6035.0000 -244.40483 -238.03678 6.36805 2.20421 -236.98668 522.73609
6040.0000 -244.00540 -236.88451 7.12089 2.19264 -237.22919 532.08183
6045.0000 -243.64285 -236.04368 7.59917 2.21478 -236.76511 560.76496
6050.0000 -243.14790 -235.61653 7.53137 2.23686 -236.30212 568.27608
6055.0000 -243.45875 -236.42621 7.03254 2.21410 -236.77940 559.21053
6060.0000 -244.18944 -237.61954 6.56990 2.18600 -237.36847 537.97546
6065.0000 -243.41180 -235.68986 7.72194 2.23621 -236.31587 570.88223
6070.0000 -241.28506 -234.32275 6.96231 2.31655 -234.63147 615.84486
6075.0000 -240.83640 -233.21689 7.61951 2.35134 -233.90194 627.44913
6080.0000 -241.40959 -234.72720 6.68238 2.35722 -233.77874 632.53200
6085.0000 -242.59576 -236.29363 6.30213 2.26755 -235.65873 573.36974
6090.0000 -242.36798 -236.20025 6.16773 2.25563 -235.90852 562.77965
6095.0000 -242.60172 -236.17825 6.42347 2.20879 -236.89064 505.29046
6100.0000 -242.47342 -236.20239 6.27103 2.27702 -235.46022 558.71202
6105.0000 -242.23306 -235.59764 6.63542 2.26263 -235.76180 554.32104
6110.0000 -242.47753 -235.53772 6.93981 2.28423 -235.30909 562.52495
6115.0000 -243.19571 -236.43207 6.76363 2.26713 -235.66751 588.37300
6120.0000 -243.13953 -235.48000 7.65953 2.27275 -235.54964 572.42432
6125.0000 -241.17393 -234.71626 6.45766 2.28147 -235.36681 569.93597
6130.0000 -243.03736 -235.89603 7.14133 2.27733 -235.45368 562.98456
6135.0000 -242.59207 -235.61631 6.97576 2.27932 -235.41203 562.14885
6140.0000 -242.09353 -234.86957 7.22396 2.27734 -235.45350 570.41282
6145.0000 -241.23297 -234.03048 7.20249 2.30737 -234.82379 616.22092
6150.0000 -242.36526 -234.94812 7.41714 2.32807 -234.38988 616.18222
6155.0000 -243.16412 -236.56655 6.59757 2.26783 -235.65292 581.43065
6160.0000 -242.66502 -236.56545 6.09957 2.26664 -235.67782 569.38478
6165.0000 -243.28200 -237.16858 6.11342 2.24770 -236.07488 578.42858
6170.0000 -243.25325 -235.38969 7.86356 2.24660 -236.09788 591.02132
6175.0000 -244.25137 -237.72786 6.52351 2.20852 -236.89627 549.40389
6180.0000 -244.01918 -237.77916 6.24002 2.20389 -236.99334 531.12550
6185.0000 -245.07688 -238.29869 6.77819 2.17019 -237.70002 520.80763
6190.0000 -243.99555 -237.31914 6.67640 2.17816 -237.53291 548.20916
6195.0000 -244.01857 -237.57880 6.43978 2.18153 -237.46220 567.61325
6200.0000 -245.38036 -237.68424 7.69612 2.18942 -237.29671 575.63629
6205.0000 -245.53118 -237.92792 7.60325 2.17651 -237.56739 573.86611
6210.0000 -244.68874 -237.21175 7.47699 2.13283 -238.48315 556.14571
6215.0000 -246.63324 -240.32465 6.30859 2.09255 -239.32776 519.48691
6220.0000 -245.33253 -239.24750 6.08504 2.08507 -239.48449 513.98192
6225.0000 -246.17950 -238.72792 7.45159 2.11256 -238.90821 536.87452
6230.0000 -245.39382 -238.63700 6.75682 2.12056 -238.74045 540.00000
6235.0000 -244.84190 -237.84601 6.99589 2.13342 -238.47077 552.55925
6240.0000 -244.90274 -237.90296 6.99979 2.15470 -238.02478 551.52347
6245.0000 -243.83856 -236.18129 7.65728 2.18495 -237.39042 559.00668
6250.0000 -243.84889 -236.67518 7.17371 2.22778 -236.49253 570.29429
FREEZING PROCESS: loop number 26 T-loop= 542.00000000000000
main_MD> interactions number 26 at Temperature= 542.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43516 1.77107 1.32447
force_rgl> df(natom) 3.86577 -1.97749 0.53651
6255.0000 -243.62308 -237.16424 6.45883 2.19647 -237.14889 543.34672
6260.0000 -244.25877 -237.70541 6.55336 2.18723 -237.34271 530.72866
6265.0000 -243.04867 -236.69329 6.35538 2.18622 -237.36392 525.40289
6270.0000 -242.93357 -236.56818 6.36538 2.20491 -236.97193 521.37893
6275.0000 -244.08041 -237.78710 6.29331 2.20892 -236.88791 547.46680
6280.0000 -244.17497 -237.68108 6.49390 2.17102 -237.68262 540.40838
6285.0000 -244.53608 -238.59108 5.94500 2.16321 -237.84619 557.94629
6290.0000 -245.23205 -238.56024 6.67181 2.14387 -238.25168 544.79349
6295.0000 -245.41126 -238.62622 6.78503 2.16039 -237.90551 561.69940
6300.0000 -246.29208 -239.78859 6.50348 2.08951 -239.39148 509.29456
6305.0000 -245.59659 -238.60323 6.99336 2.08676 -239.44923 498.78722
6310.0000 -243.92737 -237.17295 6.75443 2.16926 -237.71949 549.97110
6315.0000 -244.88791 -238.38096 6.50695 2.17559 -237.58682 561.12343
6320.0000 -243.98170 -238.04563 5.93607 2.13288 -238.48219 532.53907
6325.0000 -245.82524 -238.86958 6.95566 2.13191 -238.50249 526.85981
6330.0000 -245.39954 -238.84873 6.55080 2.10464 -239.07423 519.13501
6335.0000 -244.47107 -238.16146 6.30961 2.11764 -238.80164 528.00923
6340.0000 -245.78088 -238.53336 7.24752 2.12552 -238.63653 515.59721
6345.0000 -243.36389 -236.83096 6.53293 2.19102 -237.26314 565.18682
6350.0000 -243.11853 -236.29295 6.82558 2.23022 -236.44126 577.01848
6355.0000 -243.22967 -236.23839 6.99127 2.22639 -236.52174 573.78454
6360.0000 -242.92101 -236.36708 6.55393 2.20830 -236.90104 550.99497
6365.0000 -243.54294 -236.49112 7.05182 2.24458 -236.14039 572.06577
6370.0000 -243.74304 -237.04814 6.69490 2.22104 -236.63386 563.01657
6375.0000 -242.74191 -236.27632 6.46560 2.23153 -236.41386 566.90507
6380.0000 -244.18906 -237.61542 6.57364 2.19391 -237.20257 524.71712
6385.0000 -243.21114 -235.79120 7.41994 2.19455 -237.18931 537.73022
6390.0000 -242.78851 -235.83191 6.95660 2.23452 -236.35118 574.45491
6395.0000 -244.28322 -237.78245 6.50077 2.25583 -235.90445 581.13904
6400.0000 -245.12352 -237.37684 7.74668 2.16199 -237.87176 551.06126
6405.0000 -244.46245 -238.00905 6.45339 2.18616 -237.36507 559.10383
6410.0000 -243.92455 -237.62620 6.29835 2.14515 -238.22487 522.55197
6415.0000 -244.44667 -237.70969 6.73699 2.17514 -237.59620 544.27152
6420.0000 -243.51436 -236.78882 6.72554 2.16889 -237.72730 533.09875
6425.0000 -243.58447 -236.64483 6.93964 2.22960 -236.45429 558.63461
6430.0000 -244.14411 -237.12783 7.01627 2.19787 -237.11963 542.39641
6435.0000 -244.17526 -237.02531 7.14995 2.18082 -237.47711 545.93890
6440.0000 -244.63846 -237.48221 7.15626 2.21463 -236.76819 564.39220
6445.0000 -243.60552 -237.57457 6.03095 2.14378 -238.25375 514.74631
6450.0000 -243.92601 -237.27764 6.64837 2.17826 -237.53078 520.85599
6455.0000 -242.96376 -236.38665 6.57710 2.20814 -236.90429 539.95090
6460.0000 -243.02738 -236.44133 6.58605 2.21673 -236.72409 544.52220
6465.0000 -242.99006 -236.58645 6.40361 2.21604 -236.73860 542.28735
6470.0000 -241.94653 -235.70406 6.24247 2.23481 -236.34516 546.31567
6475.0000 -242.53545 -236.35641 6.17904 2.23395 -236.36320 540.27718
6480.0000 -243.42263 -236.21624 7.20640 2.26425 -235.72789 567.21670
6485.0000 -243.11693 -236.10083 7.01611 2.26859 -235.63691 565.43037
6490.0000 -243.87103 -236.12647 7.74456 2.24770 -236.07478 576.13694
6495.0000 -243.21985 -236.20907 7.01078 2.22706 -236.50770 564.16160
6500.0000 -243.87400 -237.56827 6.30573 2.19792 -237.11850 557.35895
FREEZING PROCESS: loop number 27 T-loop= 517.00000000000000
main_MD> interactions number 27 at Temperature= 517.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34005 1.36081 0.08429
force_rgl> df(natom) 1.13446 1.25084 0.59143
6505.0000 -244.44154 -237.83745 6.60409 2.18645 -237.35896 562.32727
6510.0000 -244.59210 -236.93240 7.65970 2.16060 -237.90098 544.06674
6515.0000 -245.23908 -239.13509 6.10398 2.15029 -238.11723 539.88994
6520.0000 -245.48477 -240.17220 5.31257 2.07428 -239.71071 482.96150
6525.0000 -246.25558 -240.88942 5.36616 2.04219 -240.38369 466.55371
6530.0000 -245.96647 -240.17686 5.78961 2.03076 -240.62331 453.23226
6535.0000 -245.78906 -239.81546 5.97360 2.07441 -239.70803 483.68444
6540.0000 -246.24493 -241.27425 4.97068 2.05450 -240.12550 480.10022
6545.0000 -246.06814 -239.90704 6.16110 2.02827 -240.67551 463.13189
6550.0000 -245.11364 -239.03169 6.08195 2.09342 -239.30941 500.44350
6555.0000 -246.03532 -239.30701 6.72831 2.11526 -238.85159 524.07476
6560.0000 -245.86197 -239.55803 6.30394 2.06034 -240.00315 492.74887
6565.0000 -244.34176 -237.52841 6.81335 2.16417 -237.82620 555.01891
6570.0000 -243.97196 -237.25312 6.71883 2.18722 -237.34295 546.57347
6575.0000 -244.92010 -238.27516 6.64494 2.15292 -238.06195 523.16990
6580.0000 -243.91113 -237.74711 6.16402 2.14082 -238.31562 502.42947
6585.0000 -245.30132 -238.74512 6.55620 2.15482 -238.02216 505.84529
6590.0000 -244.29149 -238.34446 5.94704 2.12102 -238.73074 485.44702
6595.0000 -243.08209 -237.05205 6.03005 2.18104 -237.47254 505.95678
6600.0000 -244.45511 -238.39318 6.06193 2.18804 -237.32561 524.24355
6605.0000 -244.57977 -238.09348 6.48629 2.11521 -238.85269 475.52255
6610.0000 -243.03369 -237.48770 5.54599 2.18021 -237.48984 515.63988
6615.0000 -244.00952 -237.73388 6.27564 2.18343 -237.42240 527.48205
6620.0000 -244.24810 -237.51775 6.73035 2.16381 -237.83378 523.84111
6625.0000 -243.35072 -236.68801 6.66271 2.19698 -237.13817 523.68125
6630.0000 -242.91578 -236.24724 6.66854 2.22002 -236.65527 519.12498
6635.0000 -243.41611 -237.88244 5.53367 2.19726 -237.13244 514.09551
6640.0000 -243.32260 -237.23084 6.09176 2.16991 -237.70584 500.14876
6645.0000 -244.24407 -237.60085 6.64322 2.17831 -237.52966 510.13301
6650.0000 -243.99261 -237.17246 6.82014 2.17924 -237.51025 518.39381
6655.0000 -244.42644 -238.66936 5.75708 2.20114 -237.05099 544.74668
6660.0000 -244.26474 -238.08167 6.18307 2.13807 -238.37336 498.74294
6665.0000 -244.07353 -238.21209 5.86145 2.15619 -237.99344 505.44527
6670.0000 -244.51407 -236.77185 7.74222 2.20642 -236.94025 555.44958
6675.0000 -244.61774 -238.27382 6.34392 2.16837 -237.73808 549.04310
6680.0000 -244.42045 -236.92775 7.49270 2.18242 -237.44362 559.86106
6685.0000 -243.11770 -236.01072 7.10698 2.21503 -236.75983 559.49440
6690.0000 -243.68636 -236.96275 6.72362 2.23461 -236.34932 549.06436
6695.0000 -245.09740 -238.60732 6.49008 2.13954 -238.34247 516.12489
6700.0000 -243.80217 -238.18452 5.61765 2.15344 -238.05114 517.77940
6705.0000 -244.20725 -238.77563 5.43162 2.10334 -239.10144 490.12636
6710.0000 -245.42722 -239.53609 5.89113 2.11822 -238.78952 513.47031
6715.0000 -246.97419 -240.30695 6.66724 2.07847 -239.62301 499.46043
6720.0000 -246.36876 -239.77650 6.59226 2.07624 -239.66969 507.02521
6725.0000 -244.44138 -238.03537 6.40601 2.10981 -238.96591 515.97155
6730.0000 -245.07549 -239.04206 6.03343 2.12229 -238.70424 503.87220
6735.0000 -246.01617 -239.52944 6.48673 2.11102 -238.94043 521.12756
6740.0000 -245.11430 -237.96605 7.14826 2.11039 -238.95377 510.41899
6745.0000 -244.57097 -238.38753 6.18344 2.15335 -238.05302 528.67306
6750.0000 -244.03316 -238.46172 5.57144 2.13858 -238.36271 502.36741
FREEZING PROCESS: loop number 28 T-loop= 492.00000000000000
main_MD> interactions number 28 at Temperature= 492.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.45652 1.06411 -2.24236
force_rgl> df(natom) -0.05420 -1.55789 0.77162
6755.0000 -244.98273 -239.08625 5.89648 2.10566 -239.05283 480.71540
6760.0000 -245.16317 -239.10651 6.05666 2.09875 -239.19767 482.84913
6765.0000 -244.76222 -238.92160 5.84062 2.10967 -238.96875 481.39171
6770.0000 -244.41922 -238.48695 5.93227 2.11892 -238.77485 486.56655
6775.0000 -244.63957 -237.93513 6.70443 2.15326 -238.05496 502.94937
6780.0000 -244.40749 -238.70031 5.70717 2.14465 -238.23549 502.94626
6785.0000 -245.42398 -240.23163 5.19235 2.10811 -239.00157 492.12493
6790.0000 -245.63155 -239.40798 6.22357 2.07887 -239.61457 478.10652
6795.0000 -247.20999 -240.83928 6.37071 2.05087 -240.20159 479.36199
6800.0000 -245.89142 -240.05027 5.84115 2.05518 -240.11134 481.23513
6805.0000 -245.20912 -238.61598 6.59313 2.09707 -239.23294 507.49424
6810.0000 -245.32270 -239.02205 6.30065 2.13740 -238.38747 531.97623
6815.0000 -245.75101 -239.81325 5.93777 2.08708 -239.44242 504.29734
6820.0000 -246.61346 -240.50765 6.10582 2.04430 -240.33943 469.32666
6825.0000 -246.62613 -240.98851 5.63762 2.01113 -241.03487 450.96843
6830.0000 -247.19890 -241.56977 5.62913 2.01965 -240.85622 457.62688
6835.0000 -246.31995 -240.84537 5.47459 2.00144 -241.23797 443.45042
6840.0000 -246.22277 -239.82583 6.39694 2.03952 -240.43966 456.79448
6845.0000 -245.27962 -239.42974 5.84988 2.10551 -239.05601 511.19840
6850.0000 -244.78149 -237.80261 6.97888 2.12067 -238.73821 520.57010
6855.0000 -246.14870 -240.20546 5.94324 2.09743 -239.22535 515.09080
6860.0000 -246.23092 -240.68332 5.54760 2.05938 -240.02326 480.50730
6865.0000 -245.91329 -240.09106 5.82223 2.04272 -240.37248 466.31698
6870.0000 -245.69336 -239.20725 6.48611 2.09439 -239.28910 507.71713
6875.0000 -245.07259 -238.88086 6.19173 2.13200 -238.50065 538.34256
6880.0000 -245.05464 -239.47882 5.57581 2.12744 -238.59629 539.12981
6885.0000 -245.34868 -239.45842 5.89026 2.06534 -239.89813 496.18926
6890.0000 -244.87270 -238.60441 6.26829 2.11060 -238.94926 529.48120
6895.0000 -246.89970 -241.28640 5.61330 2.04760 -240.27023 479.21829
6900.0000 -246.43811 -239.53685 6.90126 2.04465 -240.33201 483.96100
6905.0000 -245.73411 -238.84667 6.88744 2.06882 -239.82519 505.07396
6910.0000 -246.57666 -241.32951 5.24715 2.05101 -240.19876 492.82358
6915.0000 -246.39427 -240.55330 5.84097 2.02561 -240.73115 470.19048
6920.0000 -246.05364 -238.70692 7.34672 2.06233 -239.96130 503.99041
6925.0000 -246.59799 -241.06256 5.53543 2.07143 -239.77046 511.80304
6930.0000 -247.09870 -240.78989 6.30881 2.02062 -240.83581 475.10904
6935.0000 -247.61902 -241.38510 6.23392 2.01030 -241.05228 467.55421
6940.0000 -245.86342 -239.70152 6.16190 2.03414 -240.55245 482.35094
6945.0000 -246.02836 -239.73729 6.29107 2.09763 -239.22122 530.03084
6950.0000 -245.65534 -239.89479 5.76054 2.06484 -239.90869 508.73887
6955.0000 -246.20433 -240.43945 5.76488 2.03309 -240.57438 489.53545
6960.0000 -245.63669 -239.59132 6.04537 2.05655 -240.08260 499.04422
6965.0000 -244.62298 -238.49657 6.12641 2.08285 -239.53119 498.23901
6970.0000 -246.05964 -240.39380 5.66584 2.06124 -239.98410 474.11469
6975.0000 -245.15434 -238.68809 6.46625 2.08525 -239.48076 487.27079
6980.0000 -244.67698 -237.97082 6.70616 2.11888 -238.77574 519.64066
6985.0000 -246.02187 -239.28871 6.73316 2.11647 -238.82621 530.73572
6990.0000 -246.53335 -240.05933 6.47402 2.07341 -239.72912 499.48303
6995.0000 -246.43062 -240.43123 5.99939 2.04401 -240.34538 480.97994
7000.0000 -244.99531 -238.79988 6.19543 2.08329 -239.52183 500.38228
FREEZING PROCESS: loop number 29 T-loop= 467.00000000000000
main_MD> interactions number 29 at Temperature= 467.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87162 1.83022 1.72579
force_rgl> df(natom) 1.97066 1.13665 1.89016
7005.0000 -246.00976 -240.07617 5.93359 2.10668 -239.03151 514.10971
7010.0000 -246.38909 -240.89736 5.49173 2.02251 -240.79610 451.62646
7015.0000 -246.58283 -240.61073 5.97210 2.01351 -240.98496 444.88414
7020.0000 -245.62152 -239.89061 5.73091 2.06088 -239.99171 485.76474
7025.0000 -246.47932 -241.45647 5.02285 2.04227 -240.38183 473.36064
7030.0000 -246.44557 -241.47524 4.97034 1.99570 -241.35821 436.38412
7035.0000 -246.11095 -240.10905 6.00190 2.02977 -240.64400 469.88999
7040.0000 -246.34471 -241.27959 5.06512 2.03411 -240.55297 468.92330
7045.0000 -246.45763 -240.45710 6.00053 2.01766 -240.89796 458.16018
7050.0000 -246.13415 -239.86884 6.26531 2.04678 -240.28745 471.92974
7055.0000 -246.12413 -240.52924 5.59489 2.02425 -240.75974 472.73413
7060.0000 -245.83752 -240.46128 5.37624 2.00377 -241.18910 454.44869
7065.0000 -246.05123 -239.58137 6.46986 2.04498 -240.32507 478.62947
7070.0000 -246.68199 -240.30275 6.37925 2.04784 -240.26519 482.53432
7075.0000 -246.90729 -240.94687 5.96042 2.01648 -240.92255 466.21377
7080.0000 -248.12896 -242.37738 5.75158 1.99684 -241.33440 456.90412
7085.0000 -247.35005 -242.08433 5.26572 1.96215 -242.06160 434.33003
7090.0000 -247.50534 -241.15769 6.34764 1.98230 -241.63914 442.05170
7095.0000 -245.58153 -240.25401 5.32753 2.03015 -240.63604 475.10802
7100.0000 -246.98851 -241.69811 5.29040 1.98170 -241.65171 444.52092
7105.0000 -247.33156 -241.03270 6.29886 1.99874 -241.29461 456.61034
7110.0000 -247.06008 -240.72894 6.33115 2.02262 -240.79393 473.43114
7115.0000 -246.17841 -239.49176 6.68665 2.04210 -240.38545 490.64501
7120.0000 -246.10504 -239.77178 6.33326 2.06144 -239.98008 503.17571
7125.0000 -245.69592 -239.50944 6.18647 2.05835 -240.04469 498.10056
7130.0000 -245.75419 -239.58716 6.16702 2.07752 -239.64277 505.06774
7135.0000 -245.92761 -239.34214 6.58547 2.08139 -239.56180 516.10683
7140.0000 -245.87525 -238.87149 7.00376 2.07836 -239.62519 511.23866
7145.0000 -246.89512 -241.19036 5.70476 2.06020 -240.00591 498.75426
7150.0000 -247.04562 -240.85539 6.19023 2.03372 -240.56113 479.58097
7155.0000 -247.13891 -240.63587 6.50303 2.03964 -240.43707 472.67666
7160.0000 -246.80139 -240.56716 6.23422 2.01531 -240.94719 475.11246
7165.0000 -246.28107 -240.53136 5.74971 2.03938 -240.44245 485.42750
7170.0000 -247.83046 -241.60732 6.22314 2.00948 -241.06943 468.15219
7175.0000 -246.50278 -241.27211 5.23067 2.01090 -241.03965 467.19818
7180.0000 -246.06811 -240.56600 5.50211 2.05733 -240.06619 496.73141
7185.0000 -245.92016 -239.62910 6.29106 2.07714 -239.65083 506.69970
7190.0000 -245.96474 -240.43738 5.52736 2.06817 -239.83897 508.96007
7195.0000 -246.48886 -241.13477 5.35409 2.02273 -240.79167 476.56696
7200.0000 -246.98814 -239.72702 7.26112 2.03821 -240.46713 485.38883
7205.0000 -246.76602 -240.99500 5.77101 2.03822 -240.46677 490.24596
7210.0000 -246.47685 -241.42569 5.05116 2.00698 -241.12181 468.71840
7215.0000 -247.44591 -241.26136 6.18455 1.97622 -241.76677 442.26203
7220.0000 -247.57110 -242.49746 5.07364 1.97968 -241.69418 440.68476
7225.0000 -247.86780 -241.97025 5.89756 1.94634 -242.39308 417.23085
7230.0000 -247.24792 -241.30944 5.93848 1.97484 -241.79554 438.72844
7235.0000 -246.96565 -241.82064 5.14500 1.99679 -241.33544 458.26966
7240.0000 -246.65689 -241.44111 5.21578 2.00054 -241.25679 457.36473
7245.0000 -246.95924 -241.75213 5.20710 1.98360 -241.61208 450.16143
7250.0000 -247.23399 -242.17459 5.05941 1.95500 -242.21163 423.28488
FREEZING PROCESS: loop number 30 T-loop= 442.00000000000000
main_MD> interactions number 30 at Temperature= 442.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22825 -0.66888 0.13583
force_rgl> df(natom) 0.68715 0.41484 -0.64682
7255.0000 -247.98235 -242.90244 5.07990 1.91180 -243.11737 392.09049
7260.0000 -248.17825 -243.03974 5.13851 1.94947 -242.32758 422.79715
7265.0000 -246.85822 -242.22616 4.63206 1.94269 -242.46971 412.38725
7270.0000 -247.38503 -241.76177 5.62326 1.96732 -241.95328 435.06643
7275.0000 -247.14579 -241.93919 5.20660 1.98813 -241.51709 447.06488
7280.0000 -246.75122 -241.06867 5.68255 1.98281 -241.62845 454.22747
7285.0000 -247.32479 -241.40814 5.91665 1.98096 -241.66742 444.55143
7290.0000 -247.41485 -241.73428 5.68057 1.99976 -241.27311 457.32276
7295.0000 -247.23191 -241.31210 5.91981 1.98084 -241.66993 441.26402
7300.0000 -247.76159 -242.66273 5.09886 1.95646 -242.18097 428.56358
7305.0000 -246.57826 -241.52971 5.04855 1.97893 -241.70979 442.77790
7310.0000 -247.04409 -242.30960 4.73449 1.95964 -242.11437 426.14891
7315.0000 -247.20578 -241.87168 5.33410 1.95062 -242.30334 413.55654
7320.0000 -246.90998 -242.09409 4.81589 1.97750 -241.73987 444.05651
7325.0000 -247.25650 -241.84010 5.41640 1.98589 -241.56386 443.06265
7330.0000 -246.92685 -240.37684 6.55001 2.01198 -241.01704 465.56574
7335.0000 -246.62444 -240.34902 6.27541 2.03544 -240.52504 482.31773
7340.0000 -245.71693 -240.44337 5.27356 2.05106 -240.19763 472.74824
7345.0000 -247.15607 -241.45481 5.70126 2.00536 -241.15583 440.66938
7350.0000 -247.74573 -241.04700 6.69874 2.00106 -241.24585 456.40828
7355.0000 -246.68106 -241.70016 4.98090 2.02099 -240.82814 476.18711
7360.0000 -247.16225 -241.71012 5.45213 1.96869 -241.92455 435.95494
7365.0000 -246.81910 -240.84852 5.97058 1.97484 -241.79558 435.34868
7370.0000 -246.89525 -241.22910 5.66614 1.98974 -241.48317 452.27474
7375.0000 -247.08567 -240.97078 6.11489 1.97642 -241.76257 440.69000
7380.0000 -246.77716 -241.34193 5.43523 2.00547 -241.15337 459.29136
7385.0000 -247.57727 -242.33514 5.24213 1.96618 -241.97722 437.04947
7390.0000 -247.78366 -243.04424 4.73942 1.95117 -242.29188 418.85389
7395.0000 -248.18352 -242.85149 5.33203 1.94121 -242.50070 413.21235
7400.0000 -248.07164 -242.10041 5.97124 1.93896 -242.54785 410.10433
7405.0000 -246.90898 -241.22340 5.68559 2.01821 -240.88638 468.10304
7410.0000 -246.74767 -242.06581 4.68187 1.96857 -241.92711 434.15776
7415.0000 -246.47445 -240.75630 5.71816 1.98870 -241.50506 441.94465
7420.0000 -247.43671 -241.81928 5.61743 2.00151 -241.23658 461.13658
7425.0000 -246.50512 -240.90759 5.59753 1.98306 -241.62332 445.06602
7430.0000 -247.43607 -242.15616 5.27992 1.98076 -241.67156 436.86477
7435.0000 -247.26323 -242.05242 5.21081 1.94996 -242.31731 414.50771
7440.0000 -247.97429 -242.42678 5.54751 1.96808 -241.93738 429.91932
7445.0000 -247.29813 -242.35672 4.94142 1.93812 -242.56560 408.12552
7450.0000 -247.09349 -241.53763 5.55586 1.96728 -241.95412 429.23125
7455.0000 -247.03335 -241.29423 5.73912 1.98582 -241.56540 443.95122
7460.0000 -247.55604 -242.61896 4.93708 1.97985 -241.69066 436.55437
7465.0000 -246.86805 -241.10869 5.75936 1.99637 -241.34433 457.66926
7470.0000 -247.88235 -241.94729 5.93506 1.98990 -241.47989 452.48630
7475.0000 -246.38329 -240.92003 5.46326 1.97924 -241.70339 438.62759
7480.0000 -246.91851 -241.67394 5.24457 1.97437 -241.80557 440.61154
7485.0000 -246.99099 -241.39529 5.59570 1.97246 -241.84564 436.72352
7490.0000 -247.72656 -241.99850 5.72807 1.98514 -241.57968 450.38761
7495.0000 -246.54551 -241.13071 5.41480 1.98447 -241.59365 442.45352
7500.0000 -247.52918 -242.26444 5.26475 1.97188 -241.85768 421.91893
FREEZING PROCESS: loop number 31 T-loop= 417.00000000000000
main_MD> interactions number 31 at Temperature= 417.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49456 0.65638 2.11380
force_rgl> df(natom) 0.10235 1.77097 -0.42498
7505.0000 -247.21514 -241.21017 6.00497 2.00041 -241.25959 458.90591
7510.0000 -247.67190 -242.75667 4.91523 1.96114 -242.08278 426.75652
7515.0000 -247.20902 -242.45146 4.75755 1.91642 -243.02055 392.88958
7520.0000 -246.89372 -241.05452 5.83919 1.98632 -241.55495 452.47197
7525.0000 -247.51306 -241.69684 5.81622 2.03102 -240.61781 473.80834
7530.0000 -246.93904 -241.90419 5.03485 1.98583 -241.56513 444.80348
7535.0000 -247.94142 -242.27084 5.67059 1.96540 -241.99351 434.04738
7540.0000 -247.82541 -242.96446 4.86095 1.93145 -242.70529 403.75684
7545.0000 -247.68475 -242.88224 4.80251 1.91423 -243.06636 391.98351
7550.0000 -247.63774 -242.98185 4.65589 1.92763 -242.78551 405.62297
7555.0000 -248.38529 -243.48551 4.89978 1.92181 -242.90754 397.90555
7560.0000 -248.28944 -244.03083 4.25861 1.89677 -243.43236 379.12308
7565.0000 -248.80251 -243.51386 5.28865 1.89775 -243.41187 381.91812
7570.0000 -246.85749 -241.46226 5.39523 1.93833 -242.56110 409.86211
7575.0000 -247.31707 -241.28317 6.03390 2.01940 -240.86141 466.07594
7580.0000 -247.43366 -242.69265 4.74101 1.96121 -242.08141 430.08337
7585.0000 -247.77467 -242.52226 5.25240 1.95842 -242.13986 423.63080
7590.0000 -247.96742 -242.65273 5.31469 1.92970 -242.74208 403.65435
7595.0000 -248.45489 -242.66569 5.78920 1.92516 -242.83725 404.15552
7600.0000 -248.24499 -243.33201 4.91298 1.92310 -242.88041 401.54256
7605.0000 -247.19948 -242.39577 4.80370 1.90928 -243.17007 384.41949
7610.0000 -248.06822 -243.11719 4.95102 1.91839 -242.97914 398.00131
7615.0000 -247.96882 -242.67913 5.28969 1.92033 -242.93859 396.44310
7620.0000 -247.68934 -242.50621 5.18312 1.94093 -242.50658 412.36407
7625.0000 -246.57038 -241.58295 4.98743 1.96419 -242.01889 423.83645
7630.0000 -246.66635 -241.26108 5.40527 1.99876 -241.29419 436.96762
7635.0000 -247.53890 -240.61743 6.92147 2.02431 -240.75845 454.48821
7640.0000 -247.36177 -241.65843 5.70334 1.98914 -241.49578 436.35729
7645.0000 -247.33267 -242.44756 4.88511 1.92720 -242.79448 403.41496
7650.0000 -247.82492 -242.89733 4.92759 1.94119 -242.50109 417.58733
7655.0000 -247.54428 -242.58421 4.96007 1.91150 -243.12361 392.19783
7660.0000 -247.13179 -242.10050 5.03129 1.94752 -242.36847 413.89938
7665.0000 -246.76001 -241.93347 4.82654 1.96757 -241.94813 429.88559
7670.0000 -247.49824 -242.43156 5.06668 1.96195 -242.06599 428.28444
7675.0000 -247.71314 -242.10338 5.60977 1.95877 -242.13262 425.50243
7680.0000 -247.17134 -241.92103 5.25032 1.96708 -241.95836 427.55096
7685.0000 -248.02137 -242.65287 5.36850 1.96506 -242.00074 431.85013
7690.0000 -248.37508 -243.43744 4.93763 1.91016 -243.15179 388.05567
7695.0000 -247.34665 -242.53974 4.80691 1.92808 -242.77594 408.25832
7700.0000 -248.33599 -243.20542 5.13057 1.91466 -243.05736 392.49178
7705.0000 -247.43680 -242.74409 4.69271 1.93437 -242.64405 409.78954
7710.0000 -247.98938 -242.44696 5.54242 1.94367 -242.44911 416.98620
7715.0000 -247.53377 -242.13881 5.39496 1.97356 -241.82243 437.00439
7720.0000 -247.20150 -242.04796 5.15354 1.97236 -241.84755 433.18036
7725.0000 -247.03368 -242.15276 4.88092 1.96002 -242.10641 426.11843
7730.0000 -247.64680 -242.42949 5.21730 1.96722 -241.95536 427.15893
7735.0000 -248.02733 -242.76049 5.26684 1.94686 -242.38227 419.61946
7740.0000 -248.20093 -242.58486 5.61607 1.91759 -242.99596 395.86066
7745.0000 -246.81357 -242.81159 4.00198 1.92698 -242.79899 401.67954
7750.0000 -247.35194 -242.60956 4.74238 1.94871 -242.34346 417.67176
FREEZING PROCESS: loop number 32 T-loop= 392.00000000000000
main_MD> interactions number 32 at Temperature= 392.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.82737 1.82698 -2.21312
force_rgl> df(natom) -3.91781 -2.03261 -2.68694
7755.0000 -247.96994 -242.97239 4.99755 1.93081 -242.71874 405.80479
7760.0000 -247.73873 -243.14655 4.59219 1.91260 -243.10056 392.01574
7765.0000 -248.46625 -243.62845 4.83780 1.87714 -243.84397 367.47417
7770.0000 -247.34095 -242.64361 4.69734 1.89056 -243.56268 372.23816
7775.0000 -247.69271 -242.96749 4.72522 1.93047 -242.72594 405.33869
7780.0000 -247.52304 -242.22444 5.29860 1.92366 -242.86867 396.78044
7785.0000 -247.02294 -241.89311 5.12983 1.94117 -242.50147 412.84060
7790.0000 -247.48867 -243.20878 4.27990 1.93421 -242.64751 411.60683
7795.0000 -248.42593 -244.05795 4.36798 1.87448 -243.89970 365.90104
7800.0000 -247.86200 -242.96184 4.90016 1.89480 -243.47377 380.71477
7805.0000 -247.02147 -242.04304 4.97843 1.91869 -242.97284 394.25322
7810.0000 -248.44872 -243.29413 5.15458 1.93267 -242.67971 411.42004
7815.0000 -248.41284 -243.74231 4.67053 1.89751 -243.41685 377.23233
7820.0000 -248.38255 -243.75618 4.62637 1.87439 -243.90159 361.89953
7825.0000 -248.21104 -242.99304 5.21800 1.91346 -243.08248 387.84571
7830.0000 -247.80836 -243.06109 4.74727 1.92513 -242.83788 398.64699
7835.0000 -247.62634 -242.95276 4.67357 1.92460 -242.84896 399.40383
7840.0000 -247.77943 -242.84695 4.93248 1.92095 -242.92539 396.93605
7845.0000 -248.30933 -243.39626 4.91307 1.90933 -243.16910 387.60536
7850.0000 -248.08740 -243.87215 4.21525 1.88710 -243.63521 371.15182
7855.0000 -247.83058 -243.12801 4.70257 1.89106 -243.55209 376.66089
7860.0000 -248.12550 -242.74945 5.37605 1.93894 -242.54839 414.52040
7865.0000 -246.96804 -241.59994 5.36810 1.95135 -242.28823 425.26144
7870.0000 -246.98714 -241.68239 5.30475 1.95784 -242.15199 422.12765
7875.0000 -247.69681 -242.67400 5.02281 1.94985 -242.31960 415.04728
7880.0000 -247.47475 -242.42604 5.04871 1.93276 -242.67799 407.11471
7885.0000 -247.92679 -243.29952 4.62727 1.93162 -242.70176 404.83799
7890.0000 -247.62640 -242.68370 4.94271 1.90725 -243.21265 384.79931
7895.0000 -248.13030 -242.65779 5.47250 1.91930 -242.96009 395.77242
7900.0000 -247.40289 -242.29607 5.10683 1.95501 -242.21138 424.27686
7905.0000 -247.54896 -242.90764 4.64132 1.94014 -242.52325 410.05986
7910.0000 -248.95464 -244.15174 4.80289 1.90658 -243.22679 383.75548
7915.0000 -248.58484 -243.80821 4.77662 1.85895 -244.22533 348.70115
7920.0000 -248.35568 -244.01144 4.34423 1.86886 -244.01769 349.09355
7925.0000 -248.60603 -244.11026 4.49577 1.87670 -243.85331 365.63596
7930.0000 -248.36661 -243.61670 4.74991 1.89139 -243.54530 376.98025
7935.0000 -248.37319 -243.74659 4.62660 1.88069 -243.76969 367.43108
7940.0000 -247.99842 -243.20039 4.79803 1.92356 -242.87075 396.05774
7945.0000 -248.08949 -242.72673 5.36276 1.92278 -242.88711 399.09359
7950.0000 -247.68170 -243.21364 4.46806 1.91148 -243.12405 390.45660
7955.0000 -248.50561 -244.50052 4.00510 1.86792 -244.03727 357.30128
7960.0000 -248.40709 -243.89699 4.51010 1.86066 -244.18949 352.51444
7965.0000 -247.77318 -243.05380 4.71938 1.90747 -243.20813 388.52890
7970.0000 -248.54016 -243.28030 5.25986 1.92305 -242.88148 401.89539
7975.0000 -248.18195 -243.47784 4.70411 1.89487 -243.47225 379.08575
7980.0000 -248.06650 -243.36277 4.70373 1.91528 -243.04447 394.52265
7985.0000 -248.58911 -244.23798 4.35114 1.87766 -243.83311 365.62789
7990.0000 -247.96856 -242.84786 5.12070 1.89369 -243.49700 378.51141
7995.0000 -248.04442 -243.21287 4.83155 1.91903 -242.96578 399.83924
8000.0000 -246.89299 -242.53240 4.36058 1.90804 -243.19609 390.80427
FREEZING PROCESS: loop number 33 T-loop= 367.00000000000000
main_MD> interactions number 33 at Temperature= 367.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24506 0.83458 -2.44680
force_rgl> df(natom) 0.21887 1.69890 0.67851
8005.0000 -247.73430 -242.99673 4.73757 1.91453 -243.06013 391.57070
8010.0000 -247.90705 -243.74822 4.15883 1.88607 -243.65670 371.88597
8015.0000 -247.57424 -242.81298 4.76126 1.91215 -243.11000 388.82187
8020.0000 -247.62429 -242.99554 4.62875 1.93704 -242.58819 412.24470
8025.0000 -248.51795 -243.48008 5.03786 1.92093 -242.92593 396.94016
8030.0000 -248.69466 -243.83761 4.85705 1.89138 -243.54542 375.63808
8035.0000 -248.73420 -244.08575 4.64844 1.86175 -244.16667 352.71254
8040.0000 -248.15832 -243.29225 4.86607 1.89040 -243.56611 373.91249
8045.0000 -248.67222 -243.67563 4.99660 1.89341 -243.50294 373.42667
8050.0000 -247.48943 -242.92063 4.56880 1.88317 -243.71751 369.91668
8055.0000 -248.03307 -243.04818 4.98489 1.89824 -243.40159 379.03047
8060.0000 -248.28512 -243.73175 4.55337 1.89519 -243.46561 376.73124
8065.0000 -248.36619 -243.56329 4.80290 1.87867 -243.81193 366.27217
8070.0000 -248.26826 -243.56689 4.70137 1.90779 -243.20136 387.69963
8075.0000 -248.58905 -243.89682 4.69223 1.88099 -243.76338 364.53901
8080.0000 -248.21023 -242.92417 5.28606 1.90521 -243.25540 386.51902
8085.0000 -248.50394 -243.43809 5.06585 1.91627 -243.02352 393.21760
8090.0000 -248.99427 -244.18152 4.81275 1.87961 -243.79220 365.60070
8095.0000 -247.85544 -243.42870 4.42674 1.86945 -244.00520 356.12846
8100.0000 -247.87001 -242.89042 4.97958 1.89236 -243.52500 375.60494
8105.0000 -248.40298 -243.94845 4.45453 1.87922 -243.80049 365.28344
8110.0000 -247.89103 -243.57463 4.31640 1.87854 -243.81464 365.41472
8115.0000 -248.38340 -243.59133 4.79207 1.89928 -243.37973 378.60331
8120.0000 -247.30016 -242.83810 4.46206 1.89978 -243.36930 382.03306
8125.0000 -247.75203 -243.71735 4.03468 1.91223 -243.10826 390.94768
8130.0000 -248.97295 -244.30958 4.66337 1.88519 -243.67520 368.02040
8135.0000 -248.30064 -243.89572 4.40492 1.86449 -244.10929 356.81450
8140.0000 -248.19934 -244.20637 3.99297 1.86983 -243.99726 362.27792
8145.0000 -248.25214 -243.24494 5.00720 1.87147 -243.96293 363.15841
8150.0000 -248.77003 -243.99017 4.77986 1.89860 -243.39403 380.01954
8155.0000 -248.28711 -243.80751 4.47960 1.88671 -243.64342 365.15294
8160.0000 -248.39825 -244.01049 4.38777 1.87334 -243.92361 360.77399
8165.0000 -248.49247 -244.11080 4.38167 1.88618 -243.65439 373.63476
8170.0000 -248.75410 -243.72369 5.03041 1.87519 -243.88491 361.53707
8175.0000 -247.38692 -242.73819 4.64874 1.88594 -243.65941 371.52352
8180.0000 -248.50374 -243.36781 5.13594 1.92292 -242.88415 403.19235
8185.0000 -248.16023 -243.26162 4.89861 1.90126 -243.33835 382.64463
8190.0000 -248.52968 -244.48524 4.04444 1.87161 -243.96000 358.99532
8195.0000 -248.40840 -243.49449 4.91391 1.87807 -243.82452 364.95527
8200.0000 -248.58405 -243.64254 4.94151 1.87083 -243.97637 360.01333
8205.0000 -248.45343 -243.97149 4.48194 1.85991 -244.20515 348.27125
8210.0000 -247.65347 -243.06898 4.58450 1.89886 -243.38854 379.09176
8215.0000 -248.46573 -243.38188 5.08385 1.91520 -243.04602 393.61689
8220.0000 -248.29648 -243.54502 4.75146 1.88909 -243.59354 372.88899
8225.0000 -248.61684 -244.41149 4.20535 1.86003 -244.20271 349.43486
8230.0000 -248.46966 -244.25010 4.21956 1.85105 -244.39105 343.48417
8235.0000 -248.65397 -244.44837 4.20561 1.86407 -244.11796 355.00389
8240.0000 -248.18971 -243.83640 4.35331 1.87353 -243.91973 360.20560
8245.0000 -248.12936 -243.91971 4.20965 1.87005 -243.99273 356.61935
8250.0000 -248.36773 -243.77202 4.59571 1.85699 -244.26649 347.66592
FREEZING PROCESS: loop number 34 T-loop= 342.00000000000000
main_MD> interactions number 34 at Temperature= 342.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15621 -2.20456 -0.50735
force_rgl> df(natom) 1.04198 -1.23452 1.90301
8255.0000 -248.64086 -244.36312 4.27774 1.86530 -244.09231 355.04914
8260.0000 -248.42628 -244.33384 4.09244 1.84995 -244.41412 343.89488
8265.0000 -247.95225 -244.54772 3.40453 1.83988 -244.62512 335.90517
8270.0000 -248.33259 -243.70019 4.63240 1.85783 -244.24884 350.24027
8275.0000 -248.06312 -244.01339 4.04973 1.87758 -243.83485 366.61356
8280.0000 -248.59251 -244.55173 4.04078 1.86021 -244.19901 350.67626
8285.0000 -248.97966 -244.84977 4.12989 1.84733 -244.46896 343.60775
8290.0000 -248.40104 -244.38538 4.01566 1.82136 -245.01344 319.29849
8295.0000 -247.74753 -243.81948 3.92805 1.87102 -243.97237 359.68476
8300.0000 -248.54454 -244.27775 4.26679 1.86962 -244.00169 358.02066
8305.0000 -248.15845 -243.78358 4.37487 1.88190 -243.74427 368.39184
8310.0000 -248.49073 -244.17742 4.31332 1.86042 -244.19454 351.96342
8315.0000 -248.67555 -244.56966 4.10589 1.84705 -244.47477 341.32279
8320.0000 -248.54035 -243.86424 4.67611 1.85214 -244.36826 342.05161
8325.0000 -248.81162 -245.07535 3.73627 1.83272 -244.77528 329.44148
8330.0000 -248.26106 -244.04789 4.21317 1.85168 -244.37776 347.87151
8335.0000 -248.52007 -244.18813 4.33194 1.87146 -243.96318 358.37606
8340.0000 -248.96271 -244.83285 4.12986 1.84144 -244.59242 338.85498
8345.0000 -248.64240 -244.79992 3.84248 1.83775 -244.66979 331.73426
8350.0000 -248.91066 -244.68637 4.22430 1.82965 -244.83975 326.85014
8355.0000 -248.24326 -244.10681 4.13645 1.86796 -244.03647 354.04135
8360.0000 -248.22678 -243.69229 4.53450 1.88314 -243.71821 367.44197
8365.0000 -248.56926 -244.50042 4.06884 1.86023 -244.19849 354.11191
8370.0000 -248.88038 -244.65011 4.23026 1.84769 -244.46144 342.06166
8375.0000 -248.48082 -244.46201 4.01881 1.82915 -244.85012 327.43742
8380.0000 -248.63214 -245.13611 3.49603 1.82912 -244.85084 328.22187
8385.0000 -248.98065 -244.59800 4.38265 1.82972 -244.83814 325.18007
8390.0000 -248.15731 -243.88899 4.26831 1.85383 -244.33278 346.62026
8395.0000 -248.48099 -244.34289 4.13810 1.85882 -244.22820 349.62328
8400.0000 -247.62979 -242.65051 4.97928 1.87843 -243.81690 365.56261
8405.0000 -247.84606 -242.63993 5.20613 1.91016 -243.15173 387.69549
8410.0000 -248.57277 -243.74392 4.82885 1.89237 -243.52476 376.73503
8415.0000 -249.40477 -245.08991 4.31486 1.84680 -244.48013 338.23038
8420.0000 -249.02920 -245.14251 3.88669 1.82039 -245.03383 319.57019
8425.0000 -248.56698 -244.02359 4.54339 1.82878 -244.85794 325.08737
8430.0000 -249.07785 -243.58811 5.48973 1.89861 -243.39394 381.90603
8435.0000 -248.04343 -244.26421 3.77922 1.87599 -243.86805 365.29291
8440.0000 -248.92190 -244.46508 4.45682 1.84649 -244.48669 341.36302
8445.0000 -248.81248 -244.27471 4.53777 1.85770 -244.25163 352.20590
8450.0000 -247.92143 -243.55344 4.36799 1.87037 -243.98600 359.60243
8455.0000 -248.30266 -244.15717 4.14549 1.86413 -244.11676 353.77953
8460.0000 -248.69528 -244.17030 4.52499 1.86287 -244.14327 351.72170
8465.0000 -249.32883 -245.35979 3.96904 1.82679 -244.89974 324.73033
8470.0000 -249.00041 -244.90804 4.09237 1.83249 -244.78014 329.66957
8475.0000 -249.21235 -244.52213 4.69023 1.84555 -244.50628 342.08838
8480.0000 -249.18611 -245.66279 3.52332 1.82826 -244.86884 326.61832
8485.0000 -249.18694 -244.63212 4.55481 1.81255 -245.19829 313.86114
8490.0000 -248.35326 -244.15152 4.20174 1.84356 -244.54805 338.02732
8495.0000 -249.36519 -244.79333 4.57186 1.85640 -244.27881 346.28035
8500.0000 -248.60549 -244.59649 4.00900 1.84436 -244.53119 338.96869
FREEZING PROCESS: loop number 35 T-loop= 317.00000000000000
main_MD> interactions number 35 at Temperature= 317.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51552 1.27529 1.35907
force_rgl> df(natom) 0.01556 -0.88268 -0.16392
8505.0000 -249.18430 -245.23140 3.95289 1.82649 -244.90586 324.10480
8510.0000 -249.20550 -245.60175 3.60375 1.80622 -245.33084 307.60920
8515.0000 -249.13665 -245.39216 3.74449 1.79493 -245.56761 299.54948
8520.0000 -248.91666 -245.37300 3.54366 1.80479 -245.36082 305.78625
8525.0000 -248.82305 -244.86549 3.95755 1.83168 -244.79705 329.95301
8530.0000 -248.52366 -244.09943 4.42423 1.83685 -244.68868 331.08240
8535.0000 -249.23629 -245.66045 3.57583 1.85810 -244.24324 350.03445
8540.0000 -248.87785 -244.64672 4.23113 1.81232 -245.20307 313.63396
8545.0000 -248.93116 -244.51631 4.41485 1.83832 -244.65784 334.16911
8550.0000 -249.12313 -244.84025 4.28288 1.83012 -244.82978 327.97824
8555.0000 -249.02907 -245.55559 3.47348 1.80907 -245.27117 311.55053
8560.0000 -249.61595 -245.35851 4.25744 1.80314 -245.39548 306.15016
8565.0000 -249.01546 -245.38464 3.63082 1.78122 -245.85514 288.35831
8570.0000 -248.98070 -245.24541 3.73529 1.81985 -245.04521 319.94558
8575.0000 -249.09343 -244.48421 4.60922 1.81785 -245.08704 320.90952
8580.0000 -248.76031 -245.22202 3.53830 1.83364 -244.75598 328.12809
8585.0000 -249.20937 -245.82402 3.38535 1.79350 -245.59762 299.64355
8590.0000 -248.30662 -244.51925 3.78737 1.80452 -245.36655 306.57773
8595.0000 -249.86582 -245.92968 3.93614 1.81993 -245.04358 318.92688
8600.0000 -248.89011 -244.84014 4.04997 1.81401 -245.16754 315.22219
8605.0000 -248.83477 -245.06677 3.76800 1.81252 -245.19879 311.76195
8610.0000 -248.68383 -244.81629 3.86753 1.83376 -244.75346 328.76839
8615.0000 -249.50813 -245.76172 3.74641 1.81429 -245.16166 315.48905
8620.0000 -249.41070 -245.43285 3.97785 1.78878 -245.69651 294.50670
8625.0000 -248.93788 -244.32303 4.61485 1.81958 -245.05085 321.47191
8630.0000 -248.25207 -243.68449 4.56758 1.84720 -244.47170 340.12687
8635.0000 -249.28299 -245.01090 4.27209 1.86355 -244.12895 355.07027
8640.0000 -249.17136 -244.81192 4.35944 1.81739 -245.09680 319.29420
8645.0000 -249.34448 -244.84565 4.49883 1.83270 -244.77577 329.46630
8650.0000 -249.20006 -245.54958 3.65048 1.81700 -245.10481 316.52104
8655.0000 -249.11793 -244.76417 4.35377 1.80480 -245.36067 308.49166
8660.0000 -248.33263 -244.68883 3.64381 1.84499 -244.51806 338.31119
8665.0000 -248.65538 -244.80202 3.85336 1.83610 -244.70446 332.25494
8670.0000 -249.40525 -245.43624 3.96901 1.82202 -244.99974 324.02396
8675.0000 -249.22309 -245.53432 3.68876 1.79714 -245.52138 304.30136
8680.0000 -248.91396 -245.25070 3.66326 1.80321 -245.39393 306.44559
8685.0000 -249.30652 -245.56105 3.74547 1.79651 -245.53458 298.88663
8690.0000 -249.13395 -244.94709 4.18687 1.81339 -245.18065 312.33036
8695.0000 -248.97350 -244.98448 3.98902 1.83638 -244.69862 332.32074
8700.0000 -249.53368 -245.58560 3.94808 1.81817 -245.08047 316.86771
8705.0000 -249.28766 -245.43924 3.84842 1.79891 -245.48414 305.00492
8710.0000 -249.49349 -245.57002 3.92347 1.78733 -245.72686 295.58662
8715.0000 -249.04795 -245.01771 4.03024 1.80129 -245.43425 308.54124
8720.0000 -249.39813 -245.92961 3.46852 1.80294 -245.39978 305.46221
8725.0000 -249.16339 -245.52074 3.64265 1.79217 -245.62541 299.70534
8730.0000 -248.61160 -244.75405 3.85756 1.81546 -245.13710 315.53260
8735.0000 -248.44474 -244.40889 4.03585 1.83772 -244.67044 331.79774
8740.0000 -248.82908 -243.96173 4.86735 1.86457 -244.10766 356.51805
8745.0000 -249.28102 -245.26149 4.01953 1.83141 -244.80289 330.50934
8750.0000 -249.67020 -245.76064 3.90957 1.79784 -245.50667 304.05180
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 57.1769676 [s].
main_MD> Deallocating global variables
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