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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_43/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_43.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 = 43 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 43 4300
main_MD> Size of nv and nvoiz: 43 4300
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 = 43
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -1.9626743549797453E-002 -5.3128872328592536E-002 1.5651417021246228E-002 initial drift of cluster / NP1 for coalescence
init> 0.31140750658655109 0.29925236640290376 0.30609779193657966 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5689770256610428E-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) 3.75493 3.28307 3.18443
force_rgl> df(natom) -1.90257 -3.27495 3.19068
preparo> THERMALIZATION PROCESS AT 1105.8221214805972
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -94.761574752702572 6.1816850288802971 -100.94325978158287 5.6887535960309442E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 32
FREEZING PROCESS: loop number 1 T-loop= 1080.0000000000000
main_MD> interactions number 1 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.21025 -0.65489 -1.19003
force_rgl> df(natom) 1.64982 0.72457 0.59741
5.0000 -100.72378 -95.41132 5.31246 2.59644 -94.98176 1005.17483
10.0000 -101.06533 -94.13733 6.92800 2.64102 -94.43460 1106.44985
15.0000 -99.06928 -91.86231 7.20697 2.71696 -93.50253 1073.46334
20.0000 -97.69769 -90.85950 6.83819 2.89454 -91.32304 1234.55831
25.0000 -98.21412 -91.59259 6.62153 2.84788 -91.89567 1217.28341
30.0000 -99.19375 -91.77441 7.41934 2.86347 -91.70436 1205.50560
35.0000 -97.66621 -92.11485 5.55136 2.86253 -91.71584 1245.12483
40.0000 -98.86638 -92.84679 6.01959 2.83724 -92.02627 1189.94073
45.0000 -100.32245 -93.36578 6.95667 2.73646 -93.26328 1103.70609
50.0000 -99.72076 -93.56997 6.15080 2.73392 -93.29436 1098.10702
55.0000 -100.27013 -93.38610 6.88404 2.77132 -92.83537 1164.70936
60.0000 -101.17138 -94.73381 6.43757 2.70577 -93.63989 1102.41722
65.0000 -100.71844 -94.19437 6.52406 2.59196 -95.03682 1012.95811
70.0000 -100.28205 -93.35846 6.92359 2.71316 -93.54920 1075.40325
75.0000 -98.96246 -92.26789 6.69457 2.83969 -91.99626 1212.31212
80.0000 -99.37462 -92.14946 7.22517 2.81575 -92.29001 1186.38116
85.0000 -99.62547 -92.97146 6.65401 2.76241 -92.94477 1091.94139
90.0000 -98.53225 -93.09564 5.43661 2.71011 -93.58668 1104.86785
95.0000 -98.73991 -93.05943 5.68048 2.77652 -92.77150 1170.83178
100.0000 -100.79676 -94.09193 6.70484 2.73752 -93.25020 1088.26875
105.0000 -99.22981 -94.02534 5.20448 2.65736 -94.23407 1028.14547
110.0000 -100.33065 -94.10239 6.22826 2.65727 -94.23518 1036.91367
115.0000 -97.94580 -92.04508 5.90071 2.76306 -92.93680 1168.34235
120.0000 -100.60320 -94.01965 6.58355 2.80381 -92.43663 1189.01735
125.0000 -98.13755 -92.16096 5.97659 2.75118 -93.08251 1087.75298
130.0000 -97.34794 -90.91010 6.43784 2.90248 -91.22549 1265.67330
135.0000 -99.83436 -92.67943 7.15493 2.81570 -92.29072 1194.68232
140.0000 -101.35729 -93.73009 7.62721 2.70857 -93.60560 1100.29438
145.0000 -99.19000 -93.41844 5.77156 2.69688 -93.74904 1078.95078
150.0000 -97.02053 -90.36472 6.65582 2.87519 -91.56046 1198.98786
155.0000 -99.34327 -92.53815 6.80512 2.86246 -91.71672 1201.68422
160.0000 -99.34273 -93.90742 5.43530 2.79355 -92.56258 1172.02683
165.0000 -100.57829 -94.07744 6.50085 2.68521 -93.89231 1086.44139
170.0000 -97.19291 -92.25407 4.93884 2.71188 -93.56499 1114.26982
175.0000 -101.15583 -94.75018 6.40565 2.59654 -94.98059 1014.48731
180.0000 -101.63026 -95.88442 5.74584 2.53978 -95.67720 998.85113
185.0000 -100.86227 -95.85369 5.00857 2.60510 -94.87555 1040.90507
190.0000 -98.95649 -94.27729 4.67920 2.60580 -94.86691 1023.04230
195.0000 -97.99254 -91.84228 6.15027 2.75215 -93.07071 1088.54115
200.0000 -99.05661 -91.48197 7.57464 2.82826 -92.13646 1195.93651
205.0000 -99.28878 -92.66157 6.62721 2.85650 -91.78994 1221.22553
210.0000 -100.83757 -95.31519 5.52237 2.65830 -94.22251 1077.95869
215.0000 -99.61945 -93.17359 6.44586 2.63864 -94.46383 1046.09938
220.0000 -99.25684 -92.75492 6.50192 2.79441 -92.55195 1176.16238
225.0000 -100.03377 -94.19160 5.84217 2.64483 -94.38788 1058.01016
230.0000 -101.04882 -94.52934 6.51948 2.65007 -94.32352 1036.96992
235.0000 -100.88138 -94.13932 6.74206 2.65243 -94.29466 1067.51806
240.0000 -99.31515 -94.02545 5.28970 2.59329 -95.02045 1010.04787
245.0000 -100.09624 -94.07090 6.02534 2.66005 -94.20114 1070.45930
250.0000 -98.50802 -93.01461 5.49341 2.75765 -93.00317 1117.91944
FREEZING PROCESS: loop number 2 T-loop= 1055.0000000000000
main_MD> interactions number 2 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.37449 5.06228 -0.85988
force_rgl> df(natom) -2.13552 1.75375 0.21889
255.0000 -97.65295 -90.86246 6.79049 2.89696 -91.29336 1313.72519
260.0000 -99.82059 -93.41709 6.40350 2.73408 -93.29244 1092.96896
265.0000 -101.53506 -93.99389 7.54116 2.69690 -93.74877 1116.27057
270.0000 -100.49612 -93.81907 6.67705 2.64045 -94.44167 1066.83604
275.0000 -99.51744 -93.31031 6.20714 2.67224 -94.05145 1053.48042
280.0000 -100.08561 -94.57633 5.50928 2.72922 -93.35206 1080.23564
285.0000 -100.41240 -95.75238 4.66002 2.60708 -94.85117 1012.54506
290.0000 -100.66962 -95.11024 5.55939 2.54997 -95.55223 976.20272
295.0000 -100.52710 -95.30663 5.22047 2.55498 -95.49070 1004.96768
300.0000 -99.77460 -93.32038 6.45421 2.61226 -94.78759 1018.55817
305.0000 -98.47685 -91.57083 6.90602 2.76899 -92.86392 1146.18833
310.0000 -99.55197 -92.93343 6.61854 2.82423 -92.18601 1224.16261
315.0000 -100.38246 -94.10161 6.28085 2.70284 -93.67591 1141.92104
320.0000 -100.32002 -94.68428 5.63574 2.67396 -94.03032 1080.24911
325.0000 -99.94458 -94.27993 5.66465 2.59794 -94.96339 974.85376
330.0000 -100.88871 -95.34351 5.54520 2.65141 -94.30712 1078.84526
335.0000 -100.32994 -94.48014 5.84980 2.65786 -94.22796 1074.40054
340.0000 -99.21115 -94.03999 5.17116 2.66068 -94.19330 1097.51557
345.0000 -101.25396 -94.83466 6.41929 2.64651 -94.36726 1034.19218
350.0000 -100.37372 -93.74448 6.62924 2.63801 -94.47164 1067.98769
355.0000 -99.79392 -93.94033 5.85359 2.67853 -93.97432 1032.87105
360.0000 -99.56228 -93.31744 6.24483 2.68969 -93.83731 1094.48190
365.0000 -98.62536 -92.09526 6.53009 2.72630 -93.38798 1105.44028
370.0000 -99.73718 -93.25857 6.47860 2.74794 -93.12234 1135.53297
375.0000 -99.88347 -94.31538 5.56809 2.70833 -93.60846 1087.53922
380.0000 -100.33775 -94.81768 5.52007 2.71898 -93.47785 1083.55032
385.0000 -99.67646 -94.73176 4.94471 2.69797 -93.73569 1054.47470
390.0000 -98.38840 -94.30540 4.08300 2.67232 -94.05049 1049.00270
395.0000 -99.44969 -93.93929 5.51040 2.63737 -94.47944 972.37808
400.0000 -101.47739 -95.68964 5.78775 2.58251 -95.15282 941.86666
405.0000 -103.17365 -97.36738 5.80626 2.48825 -96.30968 936.30132
410.0000 -101.53623 -95.37006 6.16617 2.51028 -96.03930 966.14829
415.0000 -101.13894 -94.12379 7.01516 2.63612 -94.49477 1039.83096
420.0000 -100.08724 -94.50161 5.58564 2.69953 -93.71649 1088.00773
425.0000 -100.35130 -95.31917 5.03213 2.61385 -94.76815 1000.13552
430.0000 -99.53731 -92.08150 7.45580 2.67271 -94.04567 1076.51723
435.0000 -97.12060 -90.01111 7.10948 2.86475 -91.68864 1226.40914
440.0000 -96.90197 -90.44298 6.45899 3.01685 -89.82175 1315.96431
445.0000 -97.21080 -90.93443 6.27637 2.88851 -91.39697 1219.27772
450.0000 -99.83573 -93.84135 5.99437 2.81960 -92.24275 1156.08106
455.0000 -99.92240 -93.74744 6.17495 2.67416 -94.02793 1041.87296
460.0000 -98.60955 -92.21832 6.39124 2.76261 -92.94233 1151.37949
465.0000 -99.14267 -93.13409 6.00857 2.76851 -92.86992 1132.01858
470.0000 -100.53600 -94.04358 6.49242 2.68156 -93.93710 1082.46939
475.0000 -98.90618 -94.12563 4.78055 2.66151 -94.18312 1046.67145
480.0000 -100.26906 -94.64778 5.62128 2.64620 -94.37108 1041.30251
485.0000 -98.97608 -93.47536 5.50072 2.64336 -94.40597 1054.24525
490.0000 -100.90864 -95.83513 5.07351 2.60899 -94.82776 1004.15407
495.0000 -99.86966 -94.19275 5.67691 2.64059 -94.43988 1035.72942
500.0000 -101.80223 -96.50523 5.29700 2.60003 -94.93774 1023.45658
FREEZING PROCESS: loop number 3 T-loop= 1030.0000000000000
main_MD> interactions number 3 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.99386 -2.97394 0.80935
force_rgl> df(natom) -1.99308 0.33189 2.54506
505.0000 -100.64854 -94.38207 6.26647 2.55227 -95.52392 973.49334
510.0000 -100.44396 -94.94309 5.50087 2.57178 -95.28454 955.75686
515.0000 -101.99961 -95.91096 6.08865 2.56929 -95.31506 1017.44024
520.0000 -101.19661 -95.53330 5.66331 2.53230 -95.76911 971.80045
525.0000 -101.33266 -95.81069 5.52197 2.53408 -95.74725 976.34720
530.0000 -101.68703 -96.67669 5.01034 2.53135 -95.78070 983.86473
535.0000 -100.33876 -93.87987 6.45889 2.53367 -95.75220 950.66097
540.0000 -100.65009 -94.23573 6.41436 2.61420 -94.76389 1030.45424
545.0000 -98.19690 -92.72350 5.47340 2.75020 -93.09460 1149.83762
550.0000 -100.70337 -94.96037 5.74300 2.72011 -93.46395 1075.78314
555.0000 -100.41072 -94.97914 5.43159 2.50421 -96.11380 929.21723
560.0000 -100.84604 -95.70402 5.14202 2.54298 -95.63797 964.31110
565.0000 -101.20320 -95.95179 5.25141 2.57229 -95.27828 991.30645
570.0000 -101.03926 -94.67744 6.36182 2.58285 -95.14862 997.61529
575.0000 -101.20360 -95.33576 5.86784 2.56252 -95.39814 975.23175
580.0000 -102.09870 -97.69607 4.40263 2.45436 -96.72565 872.38513
585.0000 -100.45617 -95.37730 5.07888 2.44073 -96.89295 882.91292
590.0000 -101.06717 -96.75929 4.30788 2.55144 -95.53414 966.35167
595.0000 -101.66721 -97.07992 4.58729 2.46691 -96.57169 861.68378
600.0000 -100.41547 -94.91868 5.49679 2.56936 -95.31421 960.54511
605.0000 -101.31026 -96.67186 4.63840 2.49508 -96.22593 926.73607
610.0000 -101.07900 -94.85400 6.22500 2.53930 -95.68315 965.34174
615.0000 -99.49260 -93.64826 5.84435 2.70234 -93.68203 1068.75917
620.0000 -101.29553 -95.97831 5.31721 2.60073 -94.92915 1009.26756
625.0000 -100.01059 -93.95537 6.05523 2.60007 -94.93724 1026.98395
630.0000 -99.08377 -92.69187 6.39190 2.75029 -93.09354 1104.50930
635.0000 -101.19349 -95.65784 5.53565 2.62201 -94.66802 1030.46224
640.0000 -100.64734 -95.44049 5.20685 2.55947 -95.43561 994.91986
645.0000 -101.49767 -95.52121 5.97646 2.59114 -95.04687 990.16482
650.0000 -100.70871 -95.56338 5.14534 2.53003 -95.79694 973.38511
655.0000 -100.72487 -95.89505 4.82982 2.53101 -95.78491 907.99951
660.0000 -102.46256 -96.88162 5.58094 2.52282 -95.88540 929.83143
665.0000 -102.44709 -97.75282 4.69427 2.39001 -97.51556 874.61799
670.0000 -101.10252 -96.27844 4.82408 2.46291 -96.62070 918.53011
675.0000 -100.30434 -95.07124 5.23310 2.55909 -95.44023 974.78010
680.0000 -101.02483 -95.84219 5.18264 2.60206 -94.91279 1013.41826
685.0000 -101.15580 -95.50453 5.65127 2.51243 -96.01296 953.97773
690.0000 -98.94124 -92.49986 6.44138 2.66855 -94.09676 1055.78269
695.0000 -99.13295 -93.40358 5.72937 2.77374 -92.80574 1137.50621
700.0000 -100.45588 -93.94968 6.50620 2.74285 -93.18484 1156.84481
705.0000 -100.63252 -95.22554 5.40698 2.69746 -93.74192 1099.64202
710.0000 -101.20776 -95.92532 5.28244 2.56866 -95.32282 989.27130
715.0000 -100.07965 -93.62756 6.45209 2.60396 -94.88952 997.93571
720.0000 -99.74411 -94.52394 5.22017 2.71133 -93.57170 1104.29106
725.0000 -100.00866 -94.98186 5.02680 2.60468 -94.88065 1027.11501
730.0000 -101.51632 -96.41665 5.09967 2.54166 -95.65419 962.14420
735.0000 -101.90147 -96.12397 5.77749 2.55457 -95.49568 1004.53183
740.0000 -100.94737 -95.51969 5.42768 2.51086 -96.03218 968.87477
745.0000 -100.41272 -94.47260 5.94012 2.59055 -95.05415 1032.61825
750.0000 -102.00060 -95.88270 6.11790 2.59530 -94.99582 996.61184
FREEZING PROCESS: loop number 4 T-loop= 1005.0000000000000
main_MD> interactions number 4 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.18900 1.42526 -1.73462
force_rgl> df(natom) 5.01528 -6.10323 -6.17119
755.0000 -100.10351 -94.94611 5.15741 2.54245 -95.64448 954.50572
760.0000 -100.37528 -95.36550 5.00978 2.53040 -95.79235 977.96260
765.0000 -100.33338 -94.24651 6.08688 2.63383 -94.52285 1028.34308
770.0000 -101.11783 -95.69778 5.42005 2.59033 -95.05676 1023.88681
775.0000 -101.08522 -95.22261 5.86261 2.54722 -95.58595 976.74724
780.0000 -99.75152 -94.59725 5.15427 2.59379 -95.01436 1014.06489
785.0000 -97.79784 -91.98146 5.81638 2.74611 -93.14481 1120.22149
790.0000 -101.03398 -94.45989 6.57410 2.68097 -93.94430 1064.85010
795.0000 -99.81251 -94.30637 5.50614 2.57673 -95.22369 979.41502
800.0000 -101.58098 -95.71485 5.86613 2.60863 -94.83223 1016.56585
805.0000 -99.52400 -94.87610 4.64790 2.55991 -95.43012 941.82151
810.0000 -100.42837 -94.36208 6.06629 2.60957 -94.82069 979.67658
815.0000 -101.67848 -95.22244 6.45605 2.60090 -94.92706 969.17460
820.0000 -100.57593 -94.24538 6.33055 2.60281 -94.90361 1011.42721
825.0000 -100.15525 -94.16575 5.98950 2.73597 -93.26928 1167.05891
830.0000 -100.30315 -95.65683 4.64632 2.58411 -95.13312 984.85895
835.0000 -101.10449 -95.40320 5.70129 2.55541 -95.48536 971.04726
840.0000 -100.84837 -94.28251 6.56586 2.53877 -95.68959 959.53316
845.0000 -101.92291 -96.21453 5.70838 2.59551 -94.99321 999.74814
850.0000 -100.43760 -95.47648 4.96112 2.57870 -95.19961 947.02128
855.0000 -99.93699 -94.10623 5.83077 2.59640 -94.98229 994.84832
860.0000 -100.30357 -94.88435 5.41922 2.58084 -95.17330 973.78234
865.0000 -100.59289 -96.17271 4.42018 2.50732 -96.07571 887.98801
870.0000 -100.39275 -95.47405 4.91870 2.50864 -96.05952 933.11846
875.0000 -100.35856 -93.78753 6.57103 2.56517 -95.36556 971.93180
880.0000 -100.09187 -94.20064 5.89123 2.74506 -93.15773 1135.77149
885.0000 -99.64168 -93.53974 6.10193 2.64753 -94.35475 1048.70618
890.0000 -101.96126 -96.41864 5.54262 2.61954 -94.69826 1051.95556
895.0000 -101.26962 -96.66278 4.60685 2.53706 -95.71064 972.02957
900.0000 -100.93747 -94.48395 6.45352 2.62317 -94.65375 1036.98865
905.0000 -101.04684 -96.02285 5.02398 2.55541 -95.48543 980.78754
910.0000 -100.62118 -96.92482 3.69636 2.51744 -95.95142 967.83220
915.0000 -101.82435 -95.85840 5.96595 2.47723 -96.44497 932.94874
920.0000 -100.41160 -95.71973 4.69187 2.51540 -95.97652 952.07256
925.0000 -102.04354 -97.57733 4.46621 2.46071 -96.64777 881.83632
930.0000 -102.34770 -96.06357 6.28413 2.53380 -95.75063 967.16908
935.0000 -101.41469 -95.27359 6.14110 2.50668 -96.08349 968.67365
940.0000 -102.24776 -97.18516 5.06260 2.48230 -96.38277 936.67684
945.0000 -100.81272 -94.98950 5.82322 2.54824 -95.57348 970.78817
950.0000 -99.11324 -94.52349 4.58975 2.68115 -93.94207 1030.59419
955.0000 -100.37008 -95.14222 5.22787 2.60035 -94.93381 976.42180
960.0000 -99.87602 -95.02124 4.85478 2.52553 -95.85213 933.92481
965.0000 -101.80038 -96.27133 5.52905 2.53396 -95.74874 952.72366
970.0000 -102.04575 -96.76804 5.27771 2.49616 -96.21264 933.90036
975.0000 -101.17209 -95.91368 5.25841 2.46999 -96.53381 886.11631
980.0000 -100.75184 -95.47100 5.28084 2.54613 -95.59930 945.25103
985.0000 -100.29763 -95.17693 5.12069 2.52813 -95.82024 991.43446
990.0000 -100.48966 -93.07236 7.41729 2.61299 -94.77868 987.77856
995.0000 -99.26029 -93.47640 5.78389 2.70897 -93.60062 1095.37303
1000.0000 -100.11466 -94.29111 5.82355 2.66146 -94.18376 1053.11805
FREEZING PROCESS: loop number 5 T-loop= 980.00000000000000
main_MD> interactions number 5 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92030 1.21788 -2.43567
force_rgl> df(natom) -2.58846 -0.90399 1.30554
1005.0000 -101.92092 -94.46711 7.45381 2.62511 -94.62996 1045.94624
1010.0000 -100.24410 -94.73697 5.50713 2.65702 -94.23825 1096.37178
1015.0000 -100.11622 -95.27373 4.84249 2.61931 -94.70113 1010.29616
1020.0000 -98.94451 -93.57277 5.37174 2.61138 -94.79841 1020.57791
1025.0000 -100.44263 -93.76851 6.67412 2.70114 -93.69670 1073.42109
1030.0000 -101.41156 -95.64852 5.76304 2.62106 -94.67966 1061.99447
1035.0000 -101.30699 -95.76707 5.53992 2.56694 -95.34391 1006.62595
1040.0000 -100.91505 -94.44323 6.47182 2.57730 -95.21675 1010.34975
1045.0000 -99.38658 -93.74002 5.64656 2.59406 -95.01104 1046.21126
1050.0000 -100.03677 -93.82031 6.21646 2.76177 -92.95253 1121.94490
1055.0000 -100.25617 -94.97076 5.28541 2.63748 -94.47815 1000.98187
1060.0000 -100.27425 -95.30884 4.96541 2.58802 -95.08511 974.62279
1065.0000 -101.90851 -96.94164 4.96687 2.48506 -96.34882 914.58398
1070.0000 -100.45943 -94.39341 6.06602 2.54533 -95.60909 971.44538
1075.0000 -100.09736 -95.11387 4.98349 2.62778 -94.59713 1032.80326
1080.0000 -100.50474 -96.04919 4.45555 2.55811 -95.45223 949.59596
1085.0000 -100.58422 -95.61369 4.97053 2.55888 -95.44286 993.92840
1090.0000 -101.30996 -95.27786 6.03209 2.58337 -95.14227 986.97124
1095.0000 -101.12149 -96.63016 4.49132 2.58558 -95.11511 986.36213
1100.0000 -101.21109 -96.75320 4.45789 2.47111 -96.52007 904.20893
1105.0000 -101.83046 -96.22267 5.60779 2.49507 -96.22601 909.85184
1110.0000 -101.18276 -94.47049 6.71228 2.56646 -95.34975 1014.28275
1115.0000 -102.05688 -96.52223 5.53465 2.52212 -95.89404 929.75190
1120.0000 -98.30069 -93.29734 5.00335 2.61338 -94.77387 1031.32184
1125.0000 -99.41182 -94.23713 5.17469 2.71948 -93.47168 1053.91359
1130.0000 -101.06046 -95.36560 5.69486 2.61410 -94.76511 1018.87899
1135.0000 -102.57632 -95.66300 6.91332 2.59863 -94.95489 1003.31968
1140.0000 -100.98780 -95.11277 5.87504 2.58805 -95.08484 1009.91147
1145.0000 -101.41769 -96.81830 4.59939 2.48100 -96.39865 883.85080
1150.0000 -102.01794 -97.49639 4.52155 2.40930 -97.27872 841.14661
1155.0000 -101.93907 -96.50410 5.43497 2.45639 -96.70073 896.95737
1160.0000 -101.12774 -96.38382 4.74393 2.46507 -96.59423 903.58255
1165.0000 -101.47036 -96.45948 5.01088 2.53487 -95.73758 952.51040
1170.0000 -102.21883 -96.40470 5.81413 2.46881 -96.54833 918.54005
1175.0000 -99.52003 -94.78410 4.73593 2.53377 -95.75103 960.66117
1180.0000 -100.68064 -94.97158 5.70905 2.64171 -94.42616 1015.02523
1185.0000 -100.50907 -95.05012 5.45894 2.58895 -95.07373 994.73040
1190.0000 -102.09507 -96.23784 5.85723 2.57390 -95.25852 971.40635
1195.0000 -99.59191 -94.68465 4.90725 2.58104 -95.17079 1038.85169
1200.0000 -101.32664 -95.98414 5.34250 2.61515 -94.75220 1076.92536
1205.0000 -100.85423 -95.28187 5.57236 2.56432 -95.37601 966.76549
1210.0000 -100.70158 -95.48411 5.21746 2.54887 -95.56571 946.78323
1215.0000 -100.99094 -94.71531 6.27562 2.63306 -94.53233 1000.16532
1220.0000 -101.34527 -96.34316 5.00210 2.47406 -96.48390 936.83123
1225.0000 -102.16816 -97.48284 4.68532 2.43913 -96.91256 894.42812
1230.0000 -100.56038 -95.50241 5.05797 2.57007 -95.30546 1002.33193
1235.0000 -101.11160 -95.42069 5.69091 2.57832 -95.20426 1010.65379
1240.0000 -100.89892 -94.63928 6.25963 2.61544 -94.74858 1015.53247
1245.0000 -100.49667 -94.03230 6.46438 2.62477 -94.63409 1063.38067
1250.0000 -101.35186 -95.52707 5.82478 2.62468 -94.63516 1093.21849
FREEZING PROCESS: loop number 6 T-loop= 955.00000000000000
main_MD> interactions number 6 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.52086 -1.91228 -3.58175
force_rgl> df(natom) 1.21529 0.84901 -1.77812
1255.0000 -103.05047 -98.15401 4.89645 2.46889 -96.54740 943.23479
1260.0000 -102.36603 -97.07857 5.28746 2.34700 -98.04338 829.57630
1265.0000 -100.47445 -96.02001 4.45444 2.50292 -96.12970 930.60023
1270.0000 -100.94474 -96.52201 4.42273 2.50792 -96.06827 934.88466
1275.0000 -102.27606 -97.03120 5.24486 2.41260 -97.23818 871.95502
1280.0000 -100.20047 -95.05788 5.14259 2.50640 -96.08700 961.33091
1285.0000 -102.01230 -96.26265 5.74965 2.53777 -95.70186 965.82993
1290.0000 -102.68556 -97.14513 5.54043 2.45036 -96.77483 884.74349
1295.0000 -101.52436 -96.63144 4.89292 2.44548 -96.83469 870.43137
1300.0000 -100.81479 -95.42470 5.39009 2.50921 -96.05252 941.23980
1305.0000 -99.88103 -94.23116 5.64988 2.60061 -94.93059 1011.81120
1310.0000 -101.76182 -96.39810 5.36372 2.51954 -95.92570 921.74082
1315.0000 -101.20861 -95.32422 5.88439 2.53079 -95.78758 935.73511
1320.0000 -100.76988 -93.92515 6.84473 2.62521 -94.62866 1060.05680
1325.0000 -100.51481 -96.20330 4.31150 2.60881 -94.83004 1001.28497
1330.0000 -100.96872 -94.86371 6.10501 2.50774 -96.07051 970.25234
1335.0000 -100.12933 -95.34196 4.78737 2.54513 -95.61160 966.92552
1340.0000 -100.71301 -95.55462 5.15839 2.51623 -95.96634 898.40671
1345.0000 -101.73927 -97.13615 4.60312 2.46352 -96.61331 936.46921
1350.0000 -101.23591 -96.82473 4.41118 2.42117 -97.13309 858.16186
1355.0000 -99.63099 -93.32738 6.30361 2.63320 -94.53061 1073.92803
1360.0000 -100.70385 -95.70050 5.00336 2.59117 -95.04652 993.67123
1365.0000 -102.08415 -95.65557 6.42858 2.53524 -95.73294 939.52822
1370.0000 -101.51552 -96.79287 4.72265 2.51558 -95.97426 965.72039
1375.0000 -101.51228 -96.06423 5.44804 2.49810 -96.18877 924.60658
1380.0000 -102.83724 -96.80009 6.03714 2.44890 -96.79273 918.27336
1385.0000 -99.46737 -93.50164 5.96573 2.59583 -94.98927 1015.31782
1390.0000 -98.50897 -93.47490 5.03407 2.68428 -93.90364 1050.14175
1395.0000 -100.66074 -94.83474 5.82599 2.75102 -93.08456 1062.58318
1400.0000 -101.30713 -97.02887 4.27826 2.52559 -95.85146 955.81288
1405.0000 -102.17124 -96.88276 5.28848 2.36948 -97.76754 797.23156
1410.0000 -101.74540 -95.99780 5.74760 2.46898 -96.54622 873.31204
1415.0000 -100.81235 -94.74620 6.06614 2.50045 -96.15995 932.93587
1420.0000 -101.82442 -95.66853 6.15588 2.57258 -95.27462 979.02113
1425.0000 -101.50041 -96.96992 4.53049 2.45522 -96.71509 912.75312
1430.0000 -102.47831 -96.70840 5.76991 2.43073 -97.01569 890.47445
1435.0000 -101.46157 -96.72689 4.73468 2.46551 -96.58884 896.65238
1440.0000 -102.14826 -95.68203 6.46623 2.49325 -96.24837 901.03905
1445.0000 -101.44526 -96.46260 4.98266 2.54661 -95.59342 974.44778
1450.0000 -101.28286 -94.75235 6.53051 2.53870 -95.69050 995.78187
1455.0000 -101.05019 -96.66446 4.38573 2.52619 -95.84411 943.03509
1460.0000 -102.56866 -95.33724 7.23142 2.50821 -96.06468 930.14019
1465.0000 -100.92527 -94.62419 6.30108 2.59935 -94.94604 1025.29998
1470.0000 -100.61927 -94.83548 5.78379 2.62022 -94.68999 1058.37460
1475.0000 -100.38827 -94.29917 6.08911 2.68419 -93.90485 1097.21303
1480.0000 -101.12351 -95.15732 5.96620 2.58129 -95.16776 980.81257
1485.0000 -100.50682 -95.43181 5.07501 2.56436 -95.37551 970.10213
1490.0000 -102.07070 -96.11861 5.95209 2.52190 -95.89671 939.59154
1495.0000 -101.04223 -97.00749 4.03474 2.49158 -96.26881 929.29781
1500.0000 -101.13392 -96.55565 4.57826 2.41916 -97.15767 877.46174
FREEZING PROCESS: loop number 7 T-loop= 930.00000000000000
main_MD> interactions number 7 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12097 -0.80388 -1.54927
force_rgl> df(natom) 3.15502 3.79422 -2.40934
1505.0000 -100.60435 -94.73771 5.86665 2.57700 -95.22043 984.19650
1510.0000 -100.97184 -95.67539 5.29646 2.55245 -95.52177 953.89650
1515.0000 -99.99005 -94.55961 5.43044 2.55676 -95.46891 961.62685
1520.0000 -99.78898 -93.01242 6.77657 2.70217 -93.68414 1082.91456
1525.0000 -99.25779 -94.67047 4.58732 2.72016 -93.46332 1099.62952
1530.0000 -101.91749 -96.60844 5.30905 2.52827 -95.81854 937.61141
1535.0000 -100.58501 -94.72510 5.85992 2.57966 -95.18774 991.56746
1540.0000 -100.35748 -95.34393 5.01355 2.62134 -94.67616 1056.69848
1545.0000 -100.99581 -95.21114 5.78467 2.55346 -95.50929 967.46785
1550.0000 -101.57294 -95.59726 5.97568 2.52607 -95.84558 974.69960
1555.0000 -99.93147 -95.03455 4.89692 2.57112 -95.29256 1022.31584
1560.0000 -101.37475 -96.22388 5.15086 2.49041 -96.28324 893.06989
1565.0000 -102.06772 -97.18664 4.88108 2.49939 -96.17304 911.72832
1570.0000 -102.07834 -96.28667 5.79167 2.42056 -97.14057 885.79056
1575.0000 -99.97203 -95.01904 4.95299 2.57896 -95.19637 1009.91455
1580.0000 -101.21004 -95.42005 5.78998 2.53033 -95.79325 963.04134
1585.0000 -100.71567 -95.55046 5.16522 2.53187 -95.77428 927.07487
1590.0000 -101.61730 -97.16378 4.45352 2.49494 -96.22761 945.99646
1595.0000 -101.26005 -95.74042 5.51962 2.50869 -96.05879 956.90596
1600.0000 -101.75889 -96.56815 5.19074 2.48940 -96.29560 919.66503
1605.0000 -100.87284 -94.69962 6.17322 2.51816 -95.94257 950.00971
1610.0000 -100.32126 -95.07394 5.24733 2.64181 -94.42498 1040.81862
1615.0000 -99.66097 -94.28930 5.37167 2.64395 -94.39864 1096.20667
1620.0000 -101.99086 -97.38353 4.60732 2.55318 -95.51278 978.71663
1625.0000 -102.95857 -97.97862 4.97995 2.40835 -97.29044 849.62150
1630.0000 -101.65644 -96.98882 4.66763 2.43736 -96.93439 905.04010
1635.0000 -101.76830 -97.58271 4.18559 2.45818 -96.67884 863.18165
1640.0000 -102.03470 -96.97203 5.06267 2.46002 -96.65619 914.74966
1645.0000 -102.15080 -96.49109 5.65971 2.46137 -96.63962 901.96224
1650.0000 -102.50411 -96.84749 5.65662 2.47465 -96.47665 928.17866
1655.0000 -102.60646 -96.32925 6.27721 2.46955 -96.53928 915.10086
1660.0000 -99.72555 -94.83134 4.89421 2.47320 -96.49442 912.46625
1665.0000 -101.56727 -97.20108 4.36619 2.57673 -95.22378 989.88462
1670.0000 -102.25717 -96.71406 5.54310 2.44406 -96.85209 877.56936
1675.0000 -101.13220 -96.24323 4.88897 2.52321 -95.88062 975.68775
1680.0000 -100.59231 -95.23468 5.35763 2.54532 -95.60924 983.13053
1685.0000 -101.67026 -95.75800 5.91226 2.56681 -95.34548 1040.62625
1690.0000 -101.74213 -96.99892 4.74322 2.50230 -96.13733 962.54305
1695.0000 -100.77635 -94.67359 6.10276 2.53473 -95.73922 963.05858
1700.0000 -102.05497 -95.28521 6.76976 2.59342 -95.01886 1003.78436
1705.0000 -100.71559 -95.30008 5.41551 2.52417 -95.86884 976.70022
1710.0000 -100.77466 -95.49430 5.28036 2.62661 -94.61149 1081.77379
1715.0000 -101.94770 -96.37166 5.57604 2.55546 -95.48483 1006.35222
1720.0000 -101.99117 -96.03946 5.95172 2.50647 -96.08611 965.64275
1725.0000 -101.74033 -97.19372 4.54661 2.43059 -97.01739 879.88128
1730.0000 -102.13448 -97.09458 5.03989 2.42109 -97.13405 889.77531
1735.0000 -101.36850 -96.39915 4.96935 2.46002 -96.65619 892.53794
1740.0000 -102.57610 -97.51836 5.05774 2.38657 -97.55768 812.53114
1745.0000 -102.15753 -97.48915 4.66837 2.36448 -97.82886 802.93920
1750.0000 -101.82393 -96.19348 5.63045 2.47027 -96.53043 920.34460
FREEZING PROCESS: loop number 8 T-loop= 905.00000000000000
main_MD> interactions number 8 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.24040 0.65239 2.72337
force_rgl> df(natom) -0.03749 -1.92995 6.34827
1755.0000 -102.23182 -96.59128 5.64053 2.46069 -96.64794 922.18524
1760.0000 -101.66970 -97.94395 3.72575 2.41318 -97.23113 885.11991
1765.0000 -103.09864 -96.63545 6.46319 2.43750 -96.93257 905.51521
1770.0000 -102.03718 -96.78593 5.25125 2.46231 -96.62812 949.53427
1775.0000 -101.25227 -96.23151 5.02076 2.48843 -96.30748 896.47517
1780.0000 -102.37974 -98.46090 3.91884 2.38123 -97.62327 850.08673
1785.0000 -101.46703 -96.57517 4.89186 2.40735 -97.30264 873.78379
1790.0000 -101.98799 -96.15310 5.83489 2.46144 -96.63876 922.15649
1795.0000 -102.14403 -97.61542 4.52861 2.43292 -96.98880 901.58423
1800.0000 -102.22550 -96.70945 5.51605 2.38088 -97.62762 847.91930
1805.0000 -101.34001 -94.26417 7.07584 2.54406 -95.62468 1016.70174
1810.0000 -101.05778 -95.75005 5.30773 2.66244 -94.17181 1007.45792
1815.0000 -102.11299 -96.62726 5.48573 2.52486 -95.86043 915.39489
1820.0000 -103.58161 -98.25292 5.32869 2.42867 -97.04103 841.26699
1825.0000 -101.62730 -97.54989 4.07742 2.37205 -97.73599 863.50803
1830.0000 -102.50852 -97.42125 5.08727 2.41794 -97.17269 858.47639
1835.0000 -102.70654 -97.80207 4.90446 2.36187 -97.86085 846.86483
1840.0000 -101.88644 -97.53107 4.35537 2.37826 -97.65975 855.92105
1845.0000 -100.78712 -95.84905 4.93807 2.43612 -96.94951 884.05328
1850.0000 -102.13619 -96.70933 5.42686 2.48147 -96.39292 901.19857
1855.0000 -101.90053 -97.44266 4.45787 2.41065 -97.26221 847.98636
1860.0000 -103.69644 -99.83027 3.86618 2.30644 -98.54128 761.93237
1865.0000 -103.12855 -98.68076 4.44779 2.27857 -98.88333 731.56512
1870.0000 -101.59272 -97.11302 4.47970 2.39054 -97.50898 829.21159
1875.0000 -101.18905 -97.00136 4.18769 2.44759 -96.80880 877.04515
1880.0000 -102.62241 -96.22316 6.39925 2.44787 -96.80538 918.93797
1885.0000 -101.88472 -95.94303 5.94169 2.57087 -95.29566 1034.72828
1890.0000 -100.41102 -95.86467 4.54635 2.52497 -95.85905 936.01196
1895.0000 -101.74492 -97.04746 4.69747 2.49184 -96.26569 912.52306
1900.0000 -102.30311 -95.35875 6.94436 2.52229 -95.89187 961.80943
1905.0000 -100.08009 -94.53092 5.54917 2.58858 -95.07831 1033.16909
1910.0000 -100.05573 -94.89922 5.15651 2.62684 -94.60871 994.14438
1915.0000 -100.72587 -95.51469 5.21118 2.61491 -94.75514 1010.01286
1920.0000 -101.47686 -96.16837 5.30848 2.53799 -95.69926 957.11119
1925.0000 -102.30545 -97.33227 4.97318 2.44792 -96.80471 890.50770
1930.0000 -101.64272 -95.95198 5.69073 2.45006 -96.77842 872.38370
1935.0000 -101.03088 -96.68373 4.34715 2.50956 -96.04820 930.54971
1940.0000 -102.50106 -97.75128 4.74978 2.39292 -97.47976 842.38283
1945.0000 -102.72700 -98.08594 4.64105 2.33426 -98.19982 789.29768
1950.0000 -102.11550 -97.99357 4.12193 2.38743 -97.54717 872.82235
1955.0000 -103.18979 -98.12658 5.06321 2.34658 -98.04855 812.70567
1960.0000 -101.67066 -97.43257 4.23809 2.35371 -97.96104 792.84868
1965.0000 -101.47130 -96.48839 4.98290 2.40679 -97.30960 839.22292
1970.0000 -101.51055 -97.23914 4.27141 2.43438 -96.97087 895.15795
1975.0000 -102.61044 -97.01506 5.59538 2.42560 -97.07862 866.05752
1980.0000 -101.75589 -96.24490 5.51098 2.49013 -96.28665 918.21949
1985.0000 -101.77226 -97.62069 4.15157 2.51296 -96.00643 948.04866
1990.0000 -101.64830 -96.67294 4.97536 2.45523 -96.71498 922.75783
1995.0000 -102.50805 -98.20191 4.30613 2.36055 -97.87708 836.58929
2000.0000 -102.26572 -98.23459 4.03114 2.30539 -98.55411 751.51777
FREEZING PROCESS: loop number 9 T-loop= 880.00000000000000
main_MD> interactions number 9 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.43734 4.51201 2.81439
force_rgl> df(natom) -0.56897 -1.76317 0.30939
2005.0000 -102.86057 -98.37434 4.48623 2.31669 -98.41544 801.29678
2010.0000 -102.22316 -98.04225 4.18092 2.31786 -98.40109 794.07756
2015.0000 -101.89152 -97.70748 4.18404 2.39922 -97.40247 848.77695
2020.0000 -101.94298 -96.82917 5.11382 2.37872 -97.65409 837.74139
2025.0000 -101.12940 -95.91167 5.21772 2.47436 -96.48015 887.56201
2030.0000 -102.23468 -97.03773 5.19695 2.45272 -96.74582 892.72958
2035.0000 -102.93522 -98.03656 4.89867 2.40485 -97.33333 879.40411
2040.0000 -102.16601 -97.68229 4.48372 2.40784 -97.29662 877.44946
2045.0000 -101.92351 -97.37497 4.54854 2.37836 -97.65853 846.05236
2050.0000 -101.56361 -95.62914 5.93447 2.48210 -96.38518 928.38041
2055.0000 -100.51786 -94.84047 5.67740 2.59885 -94.95226 999.09252
2060.0000 -100.75111 -95.31483 5.43628 2.64561 -94.37828 1058.28206
2065.0000 -102.04931 -96.35850 5.69081 2.51946 -95.92668 955.18820
2070.0000 -101.39336 -96.57995 4.81341 2.52172 -95.89897 979.82751
2075.0000 -101.86036 -96.88567 4.97469 2.42316 -97.10864 882.37392
2080.0000 -101.34693 -96.08280 5.26413 2.51298 -96.00619 898.31346
2085.0000 -101.89071 -96.17746 5.71325 2.48976 -96.29123 917.83025
2090.0000 -101.96133 -96.80907 5.15227 2.46512 -96.59360 936.15181
2095.0000 -103.07484 -98.65168 4.42316 2.39294 -97.47959 852.30039
2100.0000 -102.08445 -97.40520 4.67925 2.33800 -98.15384 770.47933
2105.0000 -101.71211 -96.41864 5.29347 2.46597 -96.58323 912.97935
2110.0000 -101.61178 -96.17133 5.44045 2.49765 -96.19435 919.05704
2115.0000 -101.06923 -96.28893 4.78030 2.51462 -95.98603 962.32562
2120.0000 -102.57285 -97.37731 5.19553 2.39716 -97.42775 861.34523
2125.0000 -100.48738 -95.21059 5.27679 2.47807 -96.43471 871.57157
2130.0000 -102.40566 -97.80437 4.60129 2.55919 -95.43907 965.26917
2135.0000 -102.30482 -97.62809 4.67673 2.42867 -97.04104 833.32408
2140.0000 -102.23427 -96.95379 5.28048 2.37610 -97.68625 798.63725
2145.0000 -100.86455 -95.85817 5.00638 2.49415 -96.23725 934.55905
2150.0000 -101.25271 -96.90554 4.34717 2.51125 -96.02747 945.72145
2155.0000 -101.86420 -97.35426 4.50994 2.43041 -97.01963 929.78437
2160.0000 -101.06215 -97.45704 3.60511 2.42813 -97.04765 825.67261
2165.0000 -101.03840 -97.17635 3.86205 2.31180 -98.47544 727.59729
2170.0000 -101.83110 -97.33349 4.49761 2.42739 -97.05673 867.63524
2175.0000 -102.90495 -98.17875 4.72620 2.34752 -98.03702 843.55255
2180.0000 -102.31406 -98.27095 4.04311 2.30573 -98.54992 839.11424
2185.0000 -103.42127 -98.39595 5.02532 2.29712 -98.65561 810.82813
2190.0000 -102.45439 -97.90098 4.55341 2.36040 -97.87888 826.52113
2195.0000 -102.52067 -98.49564 4.02503 2.33800 -98.15384 783.81538
2200.0000 -103.37365 -98.28015 5.09350 2.34312 -98.09100 824.63321
2205.0000 -102.29192 -96.75435 5.53757 2.43194 -97.00092 907.36653
2210.0000 -100.67064 -96.65269 4.01795 2.48318 -96.37193 911.87854
2215.0000 -102.31503 -97.28717 5.02786 2.40587 -97.32080 866.39036
2220.0000 -101.70591 -96.47164 5.23427 2.44037 -96.89745 895.04338
2225.0000 -101.26707 -96.67055 4.59652 2.45936 -96.66428 887.98848
2230.0000 -100.98734 -95.50691 5.48043 2.50167 -96.14501 944.22429
2235.0000 -99.52452 -94.92260 4.60192 2.54784 -95.57828 945.60559
2240.0000 -100.72078 -94.42275 6.29803 2.62455 -94.63679 1028.67534
2245.0000 -101.47358 -97.11251 4.36108 2.53201 -95.77263 958.99984
2250.0000 -101.89724 -96.95640 4.94084 2.43269 -96.99162 891.77950
FREEZING PROCESS: loop number 10 T-loop= 855.00000000000000
main_MD> interactions number 10 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30260 -0.74110 0.10496
force_rgl> df(natom) -1.54329 0.58019 -0.54575
2255.0000 -102.97663 -98.39239 4.58424 2.33639 -98.17363 800.44728
2260.0000 -102.68267 -98.52605 4.15663 2.32992 -98.25309 791.23952
2265.0000 -103.11772 -98.60331 4.51442 2.29561 -98.67412 772.78054
2270.0000 -102.43877 -98.42695 4.01182 2.29554 -98.67496 779.67764
2275.0000 -101.22810 -97.48189 3.74620 2.37035 -97.75686 841.07224
2280.0000 -102.14748 -97.19702 4.95046 2.43920 -96.91177 897.08260
2285.0000 -102.47702 -98.41155 4.06547 2.36129 -97.86801 815.86932
2290.0000 -103.38959 -98.27714 5.11245 2.28796 -98.76802 767.00842
2295.0000 -102.66875 -98.75793 3.91082 2.34049 -98.12335 800.81579
2300.0000 -103.28798 -97.46433 5.82365 2.32948 -98.25845 805.80382
2305.0000 -102.29424 -98.16622 4.12802 2.36637 -97.80560 826.72135
2310.0000 -102.11123 -97.59914 4.51209 2.42280 -97.11303 883.54843
2315.0000 -101.87669 -97.97771 3.89898 2.36917 -97.77127 802.39121
2320.0000 -102.70993 -97.90073 4.80920 2.35744 -97.91528 800.66022
2325.0000 -100.68719 -96.56384 4.12334 2.41353 -97.22682 853.25271
2330.0000 -102.12729 -97.45999 4.66730 2.48384 -96.36386 914.05871
2335.0000 -101.79730 -97.63311 4.16419 2.39316 -97.47684 816.37516
2340.0000 -102.48592 -98.07631 4.40961 2.38326 -97.59834 825.27991
2345.0000 -103.48184 -99.32038 4.16146 2.29186 -98.72017 773.98046
2350.0000 -102.78852 -98.69479 4.09373 2.28525 -98.80130 756.81168
2355.0000 -101.84185 -97.79172 4.05013 2.34748 -98.03754 817.29168
2360.0000 -102.29197 -97.56388 4.72809 2.36768 -97.78955 802.64716
2365.0000 -102.47431 -97.10023 5.37408 2.37384 -97.71402 845.06886
2370.0000 -102.19082 -97.79887 4.39195 2.43369 -96.97934 857.48464
2375.0000 -102.51588 -98.27433 4.24156 2.32863 -98.26883 735.60883
2380.0000 -103.31973 -99.18113 4.13860 2.27148 -98.97028 768.66228
2385.0000 -101.70899 -97.00175 4.70723 2.34376 -98.08322 834.06767
2390.0000 -103.00467 -97.66512 5.33955 2.36524 -97.81950 819.04300
2395.0000 -101.51751 -96.43006 5.08746 2.35300 -97.96972 836.99200
2400.0000 -102.30442 -97.47747 4.82694 2.38800 -97.54015 861.92871
2405.0000 -102.03820 -98.81626 3.22194 2.36665 -97.80225 809.90031
2410.0000 -102.85272 -98.25086 4.60186 2.31457 -98.44149 792.30067
2415.0000 -101.93677 -96.28053 5.65624 2.40902 -97.28222 875.18285
2420.0000 -100.45483 -95.52080 4.93403 2.56439 -95.37517 983.15779
2425.0000 -102.39178 -97.42137 4.97040 2.44623 -96.82550 902.22694
2430.0000 -101.93745 -97.35192 4.58553 2.38141 -97.62111 811.74655
2435.0000 -102.93771 -97.96743 4.97028 2.38127 -97.62279 844.93540
2440.0000 -103.18063 -98.45286 4.72777 2.34644 -98.05032 822.06711
2445.0000 -102.54962 -98.20696 4.34266 2.31391 -98.44954 800.69190
2450.0000 -102.83613 -97.99300 4.84313 2.36248 -97.85341 823.32692
2455.0000 -103.41162 -100.02793 3.38370 2.24565 -99.28729 748.99635
2460.0000 -102.73378 -98.76335 3.97043 2.22947 -99.48595 740.77680
2465.0000 -102.84352 -97.86689 4.97663 2.38102 -97.62584 849.16826
2470.0000 -102.98758 -98.02017 4.96741 2.33274 -98.21843 825.85936
2475.0000 -103.63091 -98.27015 5.36076 2.33166 -98.23168 813.40739
2480.0000 -102.27441 -97.72826 4.54615 2.34857 -98.02416 832.88816
2485.0000 -103.16649 -98.13984 5.02665 2.36958 -97.76626 845.44107
2490.0000 -103.41716 -98.64654 4.77062 2.34729 -98.03982 812.12137
2495.0000 -101.88925 -97.09714 4.79211 2.33673 -98.16941 826.91077
2500.0000 -101.83654 -98.00654 3.82999 2.38905 -97.52728 877.55314
FREEZING PROCESS: loop number 11 T-loop= 830.00000000000000
main_MD> interactions number 11 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19460 0.93350 -1.80969
force_rgl> df(natom) -2.72563 -1.60038 3.36087
2505.0000 -101.54289 -97.05425 4.48865 2.36254 -97.85262 809.66775
2510.0000 -104.05924 -99.32320 4.73604 2.32790 -98.27779 803.00736
2515.0000 -102.59988 -97.64714 4.95274 2.31267 -98.46480 771.16829
2520.0000 -103.12547 -99.65609 3.46939 2.30752 -98.52791 788.49261
2525.0000 -103.25423 -98.87998 4.37425 2.27122 -98.97351 749.97061
2530.0000 -102.07277 -97.41732 4.65545 2.35625 -97.92982 809.25781
2535.0000 -102.19952 -97.03274 5.16678 2.37407 -97.71109 835.37396
2540.0000 -102.92221 -98.53552 4.38670 2.35353 -97.96330 827.26146
2545.0000 -103.23874 -98.52611 4.71264 2.29912 -98.63103 791.30400
2550.0000 -102.84251 -98.07219 4.77032 2.34663 -98.04797 840.62589
2555.0000 -103.65332 -99.29845 4.35486 2.27678 -98.90530 771.12593
2560.0000 -102.97750 -98.25661 4.72089 2.24680 -99.27321 749.33324
2565.0000 -102.49255 -97.90327 4.58928 2.33508 -98.18975 813.69845
2570.0000 -103.83869 -99.30280 4.53589 2.28946 -98.74958 782.62502
2575.0000 -103.03912 -98.77876 4.26035 2.27227 -98.96066 727.78096
2580.0000 -102.03261 -97.52400 4.50861 2.29496 -98.68215 775.13497
2585.0000 -101.76467 -96.56592 5.19875 2.36949 -97.76738 806.01940
2590.0000 -102.57793 -98.82950 3.74843 2.36556 -97.81556 811.98367
2595.0000 -103.47637 -99.17593 4.30044 2.24583 -99.28511 731.96020
2600.0000 -102.55571 -97.77667 4.77904 2.32103 -98.36216 819.80400
2605.0000 -102.02304 -97.79021 4.23284 2.40642 -97.31414 858.36415
2610.0000 -102.63415 -98.61965 4.01450 2.38840 -97.53529 852.77253
2615.0000 -101.92175 -97.30153 4.62022 2.31924 -98.38417 791.48655
2620.0000 -102.92592 -98.46465 4.46127 2.36143 -97.86632 818.12069
2625.0000 -103.36125 -98.89661 4.46464 2.32675 -98.29199 814.72336
2630.0000 -102.40258 -98.23047 4.17211 2.31908 -98.38604 806.48837
2635.0000 -103.55081 -99.74228 3.80853 2.24045 -99.35113 733.84670
2640.0000 -101.60026 -97.00491 4.59535 2.37728 -97.67170 827.63557
2645.0000 -102.43684 -98.75885 3.67799 2.34096 -98.11749 804.07346
2650.0000 -103.72408 -98.88665 4.83744 2.26597 -99.03791 743.38001
2655.0000 -103.10529 -98.39613 4.70916 2.25780 -99.13827 750.36240
2660.0000 -102.64304 -97.80761 4.83542 2.32449 -98.31969 806.55898
2665.0000 -101.16943 -96.51063 4.65880 2.45357 -96.73534 895.74879
2670.0000 -101.75021 -96.86659 4.88361 2.45144 -96.76150 847.34780
2675.0000 -101.32425 -96.45309 4.87116 2.44775 -96.80680 842.83742
2680.0000 -101.53620 -97.80828 3.72792 2.38568 -97.56861 821.86301
2685.0000 -102.26330 -97.83721 4.42608 2.38910 -97.52666 811.43011
2690.0000 -100.91904 -96.66391 4.25513 2.39627 -97.43872 836.83306
2695.0000 -101.65121 -97.48906 4.16216 2.45014 -96.77742 898.80059
2700.0000 -101.41271 -96.57994 4.83277 2.38059 -97.63114 845.30337
2705.0000 -101.67301 -97.29676 4.37625 2.40108 -97.37967 900.73528
2710.0000 -102.29964 -96.79088 5.50876 2.41903 -97.15926 876.32997
2715.0000 -101.22380 -96.18836 5.03544 2.47154 -96.51480 894.43275
2720.0000 -101.60482 -95.23056 6.37426 2.58058 -95.17648 1001.87883
2725.0000 -101.85454 -96.99706 4.85749 2.54521 -95.61060 1016.11771
2730.0000 -102.29350 -97.54630 4.74720 2.40227 -97.36498 867.81141
2735.0000 -101.64880 -97.84315 3.80566 2.40887 -97.28405 869.63755
2740.0000 -102.33173 -98.24952 4.08222 2.36113 -97.86999 801.15409
2745.0000 -102.20521 -96.63711 5.56810 2.36551 -97.81616 853.20054
2750.0000 -100.75466 -95.92516 4.82950 2.47175 -96.51230 928.18406
FREEZING PROCESS: loop number 12 T-loop= 805.00000000000000
main_MD> interactions number 12 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65063 -1.18573 0.27777
force_rgl> df(natom) -1.23449 4.70505 -0.58595
2755.0000 -103.25415 -99.15866 4.09548 2.44094 -96.89039 888.51339
2760.0000 -102.48930 -98.19331 4.29599 2.29908 -98.63159 765.67970
2765.0000 -103.03487 -98.69677 4.33810 2.30987 -98.49909 781.43327
2770.0000 -103.79602 -99.47016 4.32585 2.27000 -98.98853 773.27336
2775.0000 -102.26109 -97.65250 4.60860 2.29425 -98.69083 757.98380
2780.0000 -102.20310 -98.35074 3.85235 2.36909 -97.77222 855.75575
2785.0000 -103.40594 -98.93805 4.46789 2.30082 -98.61021 765.64215
2790.0000 -102.37278 -98.74744 3.62534 2.27820 -98.88788 743.19630
2795.0000 -102.57023 -98.31287 4.25735 2.28835 -98.76324 737.81636
2800.0000 -101.66176 -97.55690 4.10486 2.40035 -97.38864 884.01126
2805.0000 -102.15970 -97.94725 4.21245 2.34113 -98.11548 769.56372
2810.0000 -102.56013 -97.94615 4.61398 2.33823 -98.15099 807.52467
2815.0000 -103.19766 -98.49338 4.70428 2.37845 -97.65733 841.87477
2820.0000 -101.56408 -96.74738 4.81670 2.41935 -97.15535 896.86598
2825.0000 -102.88156 -97.77615 5.10541 2.39912 -97.40365 863.47352
2830.0000 -102.60520 -98.64647 3.95874 2.31986 -98.37652 784.81617
2835.0000 -101.74430 -95.90866 5.83564 2.38227 -97.61055 847.98482
2840.0000 -101.26405 -96.09113 5.17292 2.51335 -96.00169 911.61426
2845.0000 -101.75958 -97.28791 4.47167 2.43778 -96.92924 853.80220
2850.0000 -102.95960 -97.63634 5.32326 2.37166 -97.74076 803.06638
2855.0000 -102.09590 -97.74021 4.35569 2.41871 -97.16320 878.79520
2860.0000 -103.40012 -98.65958 4.74054 2.36755 -97.79113 810.49129
2865.0000 -101.39209 -97.51350 3.87858 2.32039 -98.37005 795.61402
2870.0000 -103.73531 -98.84190 4.89341 2.28485 -98.80620 773.08422
2875.0000 -103.07384 -98.96969 4.10415 2.27265 -98.95601 733.89921
2880.0000 -102.75782 -98.23149 4.52633 2.27300 -98.95161 753.73427
2885.0000 -103.44411 -100.01851 3.42560 2.28564 -98.79658 740.96694
2890.0000 -103.02558 -98.98449 4.04109 2.28907 -98.75447 782.99718
2895.0000 -102.14802 -97.46818 4.67984 2.39927 -97.40190 847.59607
2900.0000 -103.83690 -99.84784 3.98906 2.33183 -98.22954 784.06395
2905.0000 -103.82664 -100.14888 3.67775 2.16477 -100.27999 659.87495
2910.0000 -102.09962 -97.93997 4.15965 2.28882 -98.75750 771.27041
2915.0000 -103.21343 -98.48989 4.72354 2.32600 -98.30109 796.56319
2920.0000 -102.72058 -98.51279 4.20779 2.29272 -98.70967 786.55295
2925.0000 -102.74128 -97.95578 4.78550 2.46375 -96.61043 908.99700
2930.0000 -103.24904 -99.56735 3.68168 2.31143 -98.47996 796.38383
2935.0000 -102.60134 -98.05136 4.54998 2.24281 -99.32226 780.25090
2940.0000 -103.43459 -98.58105 4.85354 2.33944 -98.13623 826.66821
2945.0000 -103.01281 -98.30781 4.70500 2.28303 -98.82850 771.23031
2950.0000 -102.21134 -97.61747 4.59387 2.35286 -97.97153 844.73358
2955.0000 -102.67177 -98.05849 4.61328 2.41989 -97.14877 874.19662
2960.0000 -103.07063 -97.93291 5.13772 2.37470 -97.70339 837.82494
2965.0000 -102.85090 -97.35769 5.49321 2.41555 -97.20201 840.61739
2970.0000 -102.33545 -97.84599 4.48946 2.38939 -97.52316 853.02265
2975.0000 -103.01513 -98.32107 4.69406 2.32500 -98.31339 807.29085
2980.0000 -102.58574 -97.41544 5.17030 2.35658 -97.92581 826.54049
2985.0000 -102.70297 -98.14378 4.55919 2.34474 -98.07109 812.16569
2990.0000 -102.85497 -98.23864 4.61633 2.38439 -97.58452 814.93228
2995.0000 -102.03655 -96.11225 5.92430 2.44784 -96.80576 879.34106
3000.0000 -101.57038 -97.17678 4.39360 2.45580 -96.70800 912.39624
FREEZING PROCESS: loop number 13 T-loop= 780.00000000000000
main_MD> interactions number 13 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35181 -1.24167 0.39275
force_rgl> df(natom) -0.87964 -2.80354 1.78274
3005.0000 -102.95572 -98.55848 4.39725 2.32073 -98.36586 795.38126
3010.0000 -103.00138 -98.90056 4.10082 2.27791 -98.89133 758.12400
3015.0000 -103.82281 -100.11646 3.70635 2.27212 -98.96245 774.47617
3020.0000 -103.84410 -99.96370 3.88040 2.22146 -99.58420 712.10457
3025.0000 -103.27885 -99.46128 3.81756 2.23726 -99.39036 744.24683
3030.0000 -102.91376 -98.32068 4.59307 2.30745 -98.52888 778.21282
3035.0000 -102.56117 -98.87198 3.68920 2.36011 -97.88254 803.56379
3040.0000 -102.03522 -98.12900 3.90622 2.26855 -99.00624 746.99345
3045.0000 -102.52862 -97.76381 4.76481 2.35022 -98.00383 817.04829
3050.0000 -104.01421 -100.32997 3.68424 2.27760 -98.89522 780.44778
3055.0000 -104.13239 -99.94432 4.18807 2.23276 -99.44556 738.65253
3060.0000 -104.42074 -100.18584 4.23490 2.21815 -99.62481 721.06363
3065.0000 -103.75271 -98.84426 4.90845 2.28906 -98.75450 797.69411
3070.0000 -103.16617 -98.57168 4.59449 2.30470 -98.56252 770.79391
3075.0000 -102.47665 -98.09217 4.38449 2.31448 -98.44259 799.81581
3080.0000 -102.59578 -97.28155 5.31424 2.31006 -98.49677 786.48715
3085.0000 -103.20933 -99.45255 3.75678 2.34808 -98.03009 806.61851
3090.0000 -102.03528 -97.92447 4.11081 2.26114 -99.09728 734.15277
3095.0000 -102.72849 -99.16881 3.55968 2.31056 -98.49065 844.00659
3100.0000 -103.04028 -98.90445 4.13583 2.27630 -98.91112 797.42157
3105.0000 -103.60450 -99.07886 4.52564 2.27266 -98.95580 757.01913
3110.0000 -102.12884 -98.30409 3.82475 2.34626 -98.05250 786.14175
3115.0000 -102.01903 -96.79811 5.22093 2.37474 -97.70290 819.08637
3120.0000 -101.35784 -96.50764 4.85020 2.45708 -96.69226 883.42230
3125.0000 -100.38044 -94.24944 6.13100 2.51511 -95.98002 952.29711
3130.0000 -101.79027 -97.47221 4.31805 2.52812 -95.82031 950.92440
3135.0000 -103.97018 -99.41519 4.55499 2.30669 -98.53813 778.47901
3140.0000 -102.18357 -97.87353 4.31004 2.32182 -98.35242 785.81334
3145.0000 -102.36308 -98.52598 3.83710 2.31059 -98.49028 762.99640
3150.0000 -104.09186 -99.08648 5.00538 2.31464 -98.44057 784.45861
3155.0000 -103.75905 -99.67947 4.07959 2.24207 -99.33133 754.30841
3160.0000 -102.77509 -98.50260 4.27249 2.30676 -98.53735 781.30970
3165.0000 -102.86630 -98.22635 4.63995 2.24383 -99.30965 722.79540
3170.0000 -102.59444 -97.99454 4.59990 2.36008 -97.88285 852.94074
3175.0000 -102.73468 -98.69275 4.04193 2.32610 -98.29995 799.49805
3180.0000 -102.25297 -98.45761 3.79535 2.29209 -98.71730 790.04433
3185.0000 -102.77671 -98.17279 4.60392 2.33205 -98.22684 778.31239
3190.0000 -103.14580 -99.26660 3.87920 2.35105 -97.99375 845.64539
3195.0000 -102.93945 -99.48251 3.45693 2.22592 -99.52945 717.22907
3200.0000 -103.20385 -98.62063 4.58322 2.23504 -99.41752 719.67516
3205.0000 -102.96107 -98.69451 4.26656 2.28026 -98.86258 717.96904
3210.0000 -104.12993 -100.12786 4.00207 2.22763 -99.50857 735.47631
3215.0000 -102.80656 -99.06555 3.74101 2.25174 -99.21255 728.19971
3220.0000 -102.31316 -97.68220 4.63096 2.33890 -98.14282 800.87917
3225.0000 -103.96610 -98.92956 5.03653 2.31161 -98.47772 764.94987
3230.0000 -102.79827 -98.49132 4.30695 2.27419 -98.93707 754.08316
3235.0000 -102.65575 -98.44012 4.21563 2.30208 -98.59474 752.50286
3240.0000 -102.21707 -98.49638 3.72068 2.29956 -98.62571 758.88225
3245.0000 -103.38960 -99.29731 4.09229 2.30390 -98.57234 786.39034
3250.0000 -103.16896 -98.61156 4.55740 2.28554 -98.79769 729.41676
FREEZING PROCESS: loop number 14 T-loop= 755.00000000000000
main_MD> interactions number 14 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.54602 -1.65653 1.63631
force_rgl> df(natom) 0.99031 4.41166 -1.14859
3255.0000 -102.68637 -98.18164 4.50472 2.30181 -98.59803 783.71975
3260.0000 -102.03637 -98.08248 3.95389 2.32901 -98.26416 825.31365
3265.0000 -103.00159 -99.31646 3.68513 2.27062 -98.98091 762.25886
3270.0000 -103.54084 -100.08663 3.45421 2.19843 -99.86696 702.36995
3275.0000 -104.83682 -100.32649 4.51033 2.18630 -100.01583 727.93194
3280.0000 -103.77765 -100.16561 3.61204 2.23077 -99.47000 748.45343
3285.0000 -103.97869 -99.71542 4.26327 2.22067 -99.59400 697.61045
3290.0000 -104.60122 -100.45105 4.15017 2.20127 -99.83204 679.11481
3295.0000 -103.72154 -99.39461 4.32693 2.23428 -99.42688 717.15888
3300.0000 -102.78176 -98.72521 4.05655 2.30776 -98.52500 823.38445
3305.0000 -102.55959 -97.59196 4.96763 2.33225 -98.22439 817.71286
3310.0000 -102.88010 -98.84794 4.03216 2.33633 -98.17438 802.54423
3315.0000 -103.63344 -99.79277 3.84066 2.24060 -99.34927 729.57990
3320.0000 -103.77572 -100.01336 3.76236 2.21221 -99.69780 703.17565
3325.0000 -103.32585 -100.31663 3.00922 2.19392 -99.92233 694.72862
3330.0000 -104.92067 -100.60167 4.31900 2.17480 -100.15698 676.56580
3335.0000 -103.78034 -100.56406 3.21628 2.14234 -100.55533 686.98594
3340.0000 -103.95626 -100.15916 3.79711 2.18566 -100.02360 710.20820
3345.0000 -103.93314 -99.34507 4.58807 2.24025 -99.35358 736.94663
3350.0000 -102.86900 -99.07753 3.79147 2.26558 -99.04272 752.31230
3355.0000 -101.98556 -97.06509 4.92047 2.32309 -98.33690 790.39253
3360.0000 -103.08160 -98.23961 4.84199 2.38787 -97.54176 869.28888
3365.0000 -103.25425 -99.36510 3.88916 2.24607 -99.28215 742.73375
3370.0000 -103.18869 -99.22899 3.95970 2.23180 -99.45730 728.21857
3375.0000 -104.37700 -100.39743 3.97957 2.20486 -99.78799 694.91909
3380.0000 -103.31181 -99.60217 3.70964 2.20982 -99.72714 732.09326
3385.0000 -102.53036 -98.69290 3.83746 2.28374 -98.81985 800.27792
3390.0000 -103.76258 -99.28484 4.47774 2.25249 -99.20336 724.23011
3395.0000 -103.70790 -99.35724 4.35066 2.16826 -100.23719 676.19597
3400.0000 -102.78861 -99.43044 3.35817 2.23578 -99.40849 711.11281
3405.0000 -103.14522 -100.02362 3.12159 2.26174 -99.08986 724.98314
3410.0000 -102.78924 -98.79626 3.99297 2.27868 -98.88198 755.54535
3415.0000 -103.32856 -99.82479 3.50377 2.25688 -99.14949 733.79514
3420.0000 -103.32974 -98.61306 4.71668 2.27343 -98.94635 726.91586
3425.0000 -102.54041 -98.88696 3.65345 2.31038 -98.49289 772.83376
3430.0000 -102.13510 -97.31202 4.82309 2.36051 -97.87757 825.46114
3435.0000 -102.46468 -97.80595 4.65873 2.40208 -97.36733 880.77824
3440.0000 -102.82040 -98.98554 3.83486 2.26761 -99.01787 754.36211
3445.0000 -101.98246 -97.32272 4.65974 2.37231 -97.73271 837.09873
3450.0000 -102.48202 -98.33251 4.14951 2.40235 -97.36406 854.00723
3455.0000 -103.82459 -99.09892 4.72566 2.31785 -98.40117 780.94944
3460.0000 -102.78808 -98.16591 4.62217 2.32849 -98.27062 809.93084
3465.0000 -104.17254 -99.27617 4.89637 2.31837 -98.39482 822.47704
3470.0000 -102.98757 -99.19633 3.79124 2.23244 -99.44950 719.79075
3475.0000 -103.36283 -99.28288 4.07995 2.20096 -99.83586 666.38507
3480.0000 -103.96239 -99.60405 4.35834 2.18829 -99.99139 681.36393
3485.0000 -103.83399 -99.69752 4.13647 2.21205 -99.69980 702.65316
3490.0000 -103.20664 -99.11443 4.09221 2.26706 -99.02459 767.15923
3495.0000 -103.42181 -98.07132 5.35050 2.28694 -98.78053 788.69010
3500.0000 -102.23813 -97.38157 4.85656 2.36526 -97.81928 866.54223
FREEZING PROCESS: loop number 15 T-loop= 730.00000000000000
main_MD> interactions number 15 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34089 -0.07307 -1.92685
force_rgl> df(natom) -1.04233 -0.77416 6.93246
3505.0000 -101.45055 -97.96257 3.48798 2.41872 -97.16312 819.52530
3510.0000 -103.04248 -98.58198 4.46050 2.31709 -98.41045 758.73374
3515.0000 -102.08264 -97.68648 4.39617 2.33377 -98.20572 798.42205
3520.0000 -103.95176 -99.59366 4.35810 2.30551 -98.55260 766.86942
3525.0000 -104.17569 -100.75620 3.41950 2.20838 -99.74477 705.24747
3530.0000 -103.05062 -99.97891 3.07171 2.18200 -100.06855 669.63946
3535.0000 -103.85184 -100.25536 3.59647 2.21309 -99.68701 689.36150
3540.0000 -104.57813 -99.84670 4.73143 2.20019 -99.84537 704.57648
3545.0000 -103.78610 -99.35435 4.43175 2.22349 -99.55932 751.32199
3550.0000 -104.20030 -99.99385 4.20645 2.22921 -99.48910 722.24652
3555.0000 -104.00628 -100.66912 3.33716 2.21715 -99.63715 690.35422
3560.0000 -103.74239 -100.34804 3.39435 2.14143 -100.56653 662.09858
3565.0000 -102.74455 -98.58129 4.16325 2.21199 -99.70044 708.61569
3570.0000 -102.97628 -99.24334 3.73294 2.28282 -98.83117 774.58941
3575.0000 -103.87429 -100.34076 3.53353 2.22507 -99.53992 715.46611
3580.0000 -104.37799 -101.18610 3.19190 2.13690 -100.62211 674.12557
3585.0000 -103.96927 -99.79072 4.17855 2.12860 -100.72399 639.28839
3590.0000 -102.87708 -99.23527 3.64181 2.22563 -99.53303 696.88320
3595.0000 -103.63974 -99.21725 4.42249 2.24735 -99.26648 729.58609
3600.0000 -104.19557 -99.53836 4.65721 2.22468 -99.54469 697.41201
3605.0000 -103.06187 -98.72874 4.33313 2.23540 -99.41317 740.61501
3610.0000 -103.69775 -99.52626 4.17149 2.27002 -98.98823 720.84922
3615.0000 -103.89784 -99.42785 4.46999 2.20377 -99.80136 704.61918
3620.0000 -102.46769 -99.60674 2.86095 2.23593 -99.40666 726.73296
3625.0000 -103.59633 -99.42654 4.16979 2.23614 -99.40412 680.25833
3630.0000 -103.17298 -98.75169 4.42128 2.27434 -98.93520 767.14222
3635.0000 -102.50193 -98.67216 3.82977 2.32763 -98.28108 792.69517
3640.0000 -103.20774 -98.48783 4.71991 2.29628 -98.66597 752.54801
3645.0000 -103.69377 -99.37610 4.31767 2.27903 -98.87759 776.59893
3650.0000 -102.54154 -98.21546 4.32608 2.28459 -98.80942 772.79550
3655.0000 -102.54508 -97.88457 4.66050 2.42814 -97.04745 876.91803
3660.0000 -104.16496 -100.15331 4.01165 2.28784 -98.76952 734.49947
3665.0000 -103.65767 -99.58827 4.06940 2.20302 -99.81053 715.85255
3670.0000 -103.28370 -98.66268 4.62103 2.26694 -99.02604 733.08290
3675.0000 -103.18425 -98.82448 4.35977 2.33024 -98.24907 803.96630
3680.0000 -103.29362 -98.78250 4.51112 2.29919 -98.63016 755.43975
3685.0000 -102.19807 -98.16227 4.03580 2.30684 -98.53626 750.25578
3690.0000 -102.89775 -99.20530 3.69245 2.27337 -98.94709 744.06528
3695.0000 -103.12290 -100.18669 2.93621 2.19906 -99.85917 660.87567
3700.0000 -103.49035 -99.15246 4.33788 2.23795 -99.38186 722.37127
3705.0000 -103.20631 -99.60051 3.60579 2.24452 -99.30123 732.93291
3710.0000 -102.43302 -98.63961 3.79342 2.25705 -99.14744 767.27636
3715.0000 -102.43941 -97.91088 4.52853 2.32114 -98.36075 799.17282
3720.0000 -103.24980 -98.67850 4.57130 2.29767 -98.64890 794.81765
3725.0000 -102.31254 -98.85586 3.45668 2.32567 -98.30516 805.00028
3730.0000 -103.50877 -100.03546 3.47332 2.21968 -99.60615 667.13643
3735.0000 -103.73100 -99.97927 3.75173 2.16604 -100.26446 688.64060
3740.0000 -103.93919 -97.85933 6.07987 2.27488 -98.92856 792.82809
3745.0000 -102.84108 -99.12155 3.71953 2.30628 -98.54316 777.65603
3750.0000 -103.78720 -99.20883 4.57837 2.25049 -99.22788 732.63722
FREEZING PROCESS: loop number 16 T-loop= 705.00000000000000
main_MD> interactions number 16 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.17481 -2.17903 -2.21781
force_rgl> df(natom) 0.62584 -0.81597 -2.72936
3755.0000 -103.48926 -99.96531 3.52395 2.22884 -99.49369 707.93471
3760.0000 -103.65163 -100.13346 3.51817 2.18253 -100.06207 697.00719
3765.0000 -103.90587 -99.85236 4.05351 2.16035 -100.33429 646.98820
3770.0000 -103.38767 -99.33577 4.05190 2.24917 -99.24413 739.16917
3775.0000 -103.81670 -100.41581 3.40089 2.20440 -99.79365 691.38793
3780.0000 -103.90063 -99.44798 4.45265 2.15660 -100.38029 623.13757
3785.0000 -102.59400 -97.68278 4.91122 2.29406 -98.69321 752.44157
3790.0000 -103.51625 -98.96412 4.55213 2.32496 -98.31390 767.94093
3795.0000 -102.71950 -99.05727 3.66223 2.27693 -98.90340 742.86751
3800.0000 -103.44649 -100.03019 3.41630 2.21536 -99.65911 696.74374
3805.0000 -103.85885 -99.84253 4.01632 2.23057 -99.47240 727.67358
3810.0000 -102.89420 -99.03081 3.86339 2.28413 -98.81510 778.44466
3815.0000 -103.92258 -99.01537 4.90722 2.25444 -99.17940 760.46915
3820.0000 -102.99729 -98.81700 4.18029 2.28082 -98.85562 787.07891
3825.0000 -103.72034 -99.81738 3.90296 2.22876 -99.49471 724.68936
3830.0000 -104.10507 -100.13445 3.97062 2.19585 -99.89862 681.21286
3835.0000 -103.52132 -99.69159 3.82973 2.17847 -100.11193 662.54230
3840.0000 -103.55210 -100.16896 3.38314 2.21311 -99.68672 702.23575
3845.0000 -103.72507 -100.05329 3.67179 2.18314 -100.05463 660.70119
3850.0000 -102.12172 -98.90540 3.21632 2.21325 -99.68498 703.42106
3855.0000 -103.79859 -99.74465 4.05394 2.18796 -99.99538 719.92539
3860.0000 -104.27922 -101.01301 3.26621 2.13346 -100.66434 632.39272
3865.0000 -104.92441 -101.77188 3.15253 2.09392 -101.14966 608.72947
3870.0000 -103.38980 -99.27309 4.11671 2.18805 -99.99428 710.53158
3875.0000 -102.98590 -97.94679 5.03911 2.31347 -98.45491 811.78921
3880.0000 -103.42469 -98.97666 4.44803 2.30358 -98.57630 810.24204
3885.0000 -102.52420 -99.11805 3.40615 2.25790 -99.13695 713.35491
3890.0000 -103.68057 -99.76713 3.91343 2.20868 -99.74117 691.71580
3895.0000 -103.47807 -99.39707 4.08099 2.24274 -99.32306 729.30261
3900.0000 -105.11533 -100.02541 5.08993 2.20805 -99.74883 724.79469
3905.0000 -103.58691 -99.51695 4.06995 2.18137 -100.07629 707.73304
3910.0000 -104.24429 -100.32010 3.92419 2.20404 -99.79801 695.66607
3915.0000 -103.94586 -99.78724 4.15863 2.20809 -99.74835 667.34031
3920.0000 -104.20874 -100.58611 3.62263 2.16490 -100.27845 646.22010
3925.0000 -104.42327 -100.11191 4.31137 2.18355 -100.04949 704.50452
3930.0000 -104.36730 -99.66284 4.70445 2.22603 -99.52821 739.80705
3935.0000 -103.33173 -99.94667 3.38506 2.16603 -100.26464 645.70155
3940.0000 -103.48323 -99.75757 3.72567 2.20989 -99.72628 688.58142
3945.0000 -104.32034 -100.17052 4.14982 2.17090 -100.20485 669.06414
3950.0000 -103.65412 -99.09892 4.55520 2.23145 -99.46159 729.63815
3955.0000 -103.68414 -100.43643 3.24772 2.19220 -99.94333 669.96509
3960.0000 -104.07460 -100.21203 3.86257 2.16348 -100.29594 669.54484
3965.0000 -104.64318 -100.52534 4.11783 2.14070 -100.57548 624.60958
3970.0000 -104.13909 -100.60373 3.53536 2.12859 -100.72413 657.95619
3975.0000 -104.15934 -99.80554 4.35381 2.19114 -99.95645 707.47238
3980.0000 -104.43424 -99.86738 4.56686 2.20215 -99.82120 683.36910
3985.0000 -102.96973 -98.56477 4.40497 2.20995 -99.72554 708.67079
3990.0000 -103.31261 -98.62983 4.68277 2.29017 -98.74089 798.40419
3995.0000 -101.95497 -98.18781 3.76716 2.33298 -98.21550 767.26472
4000.0000 -103.57007 -99.29879 4.27128 2.30899 -98.50992 774.42782
FREEZING PROCESS: loop number 17 T-loop= 680.00000000000000
main_MD> interactions number 17 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10801 1.78865 3.38219
force_rgl> df(natom) -1.96149 7.80647 -0.79193
4005.0000 -103.97036 -99.82745 4.14291 2.22568 -99.53243 727.09227
4010.0000 -103.09012 -99.08183 4.00828 2.25804 -99.13525 726.68979
4015.0000 -102.94564 -98.32608 4.61956 2.27564 -98.91929 736.87072
4020.0000 -103.86899 -99.68254 4.18645 2.25974 -99.11442 742.43735
4025.0000 -104.44105 -99.97350 4.46755 2.21177 -99.70317 720.97453
4030.0000 -103.65633 -100.19295 3.46339 2.22743 -99.51099 706.04111
4035.0000 -102.94079 -98.91476 4.02603 2.19595 -99.89733 691.10500
4040.0000 -102.84064 -98.47983 4.36081 2.27075 -98.97930 742.79566
4045.0000 -102.83437 -99.79964 3.03473 2.23625 -99.40272 723.95530
4050.0000 -104.86527 -100.76103 4.10424 2.16795 -100.24106 646.24028
4055.0000 -103.24240 -98.87207 4.37034 2.18445 -100.03854 696.08135
4060.0000 -103.15690 -99.52337 3.63353 2.23001 -99.47926 704.41131
4065.0000 -104.22186 -99.88797 4.33389 2.25238 -99.20472 751.29694
4070.0000 -104.78615 -100.25141 4.53474 2.18010 -100.09195 693.96654
4075.0000 -103.33839 -99.26075 4.07764 2.22880 -99.49416 730.39681
4080.0000 -104.02269 -99.52559 4.49710 2.21337 -99.68351 719.80923
4085.0000 -104.50338 -100.23454 4.26884 2.20922 -99.73454 711.30950
4090.0000 -103.33771 -99.72881 3.60890 2.18251 -100.06225 673.85914
4095.0000 -104.55212 -100.45445 4.09767 2.16129 -100.32272 668.96219
4100.0000 -104.26351 -100.82293 3.44058 2.14885 -100.47551 663.50068
4105.0000 -103.72735 -99.92328 3.80407 2.17657 -100.13521 700.99651
4110.0000 -103.74291 -100.14450 3.59841 2.21825 -99.62370 748.83742
4115.0000 -102.45676 -98.87314 3.58363 2.21606 -99.65049 708.22023
4120.0000 -103.99512 -98.88969 5.10543 2.28133 -98.84938 779.79426
4125.0000 -103.92719 -99.83033 4.09686 2.22588 -99.53004 739.32083
4130.0000 -104.81569 -100.75725 4.05844 2.17953 -100.09890 695.28453
4135.0000 -104.29084 -100.58043 3.71041 2.12605 -100.75524 635.79313
4140.0000 -103.17862 -99.68904 3.48958 2.17957 -100.09839 680.62440
4145.0000 -104.00420 -101.07660 2.92761 2.13642 -100.62804 653.71772
4150.0000 -104.46147 -101.19968 3.26179 2.11391 -100.90425 628.73664
4155.0000 -104.46119 -100.55638 3.90481 2.11550 -100.88482 637.13006
4160.0000 -103.73666 -100.38200 3.35466 2.15626 -100.38456 647.42043
4165.0000 -104.63668 -101.26972 3.36696 2.11411 -100.90186 645.81764
4170.0000 -104.36718 -100.96063 3.40656 2.10953 -100.95810 647.53453
4175.0000 -104.62640 -101.51215 3.11425 2.07643 -101.36428 613.14993
4180.0000 -104.02732 -100.58209 3.44524 2.11354 -100.90878 629.35924
4185.0000 -104.15865 -100.77608 3.38257 2.13872 -100.59973 641.70147
4190.0000 -103.96964 -100.38255 3.58709 2.11925 -100.83876 636.71133
4195.0000 -104.23815 -99.78006 4.45809 2.19258 -99.93877 695.33772
4200.0000 -103.18915 -99.42152 3.76763 2.24710 -99.26950 750.94944
4205.0000 -103.62945 -99.42769 4.20176 2.22493 -99.54162 724.00794
4210.0000 -103.99313 -99.91554 4.07759 2.20571 -99.77761 706.36093
4215.0000 -104.69836 -100.81373 3.88463 2.15228 -100.43330 694.40800
4220.0000 -104.19344 -100.28523 3.90821 2.12405 -100.77980 630.26928
4225.0000 -103.54064 -99.35571 4.18493 2.17028 -100.21244 677.38695
4230.0000 -103.39931 -99.92024 3.47907 2.23302 -99.44238 737.64175
4235.0000 -103.21614 -98.77995 4.43618 2.26387 -99.06370 771.92970
4240.0000 -103.62172 -99.75036 3.87135 2.28639 -98.78728 764.86564
4245.0000 -104.02352 -100.54976 3.47377 2.18516 -100.02984 682.64876
4250.0000 -104.20747 -101.28639 2.92107 2.12686 -100.74538 623.67828
FREEZING PROCESS: loop number 18 T-loop= 655.00000000000000
main_MD> interactions number 18 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30524 -0.29699 -2.21199
force_rgl> df(natom) 3.39520 -1.91583 2.26036
4255.0000 -102.88190 -99.14129 3.74062 2.17132 -100.19969 677.67244
4260.0000 -104.33823 -99.96830 4.36993 2.20300 -99.81082 690.88228
4265.0000 -103.78908 -100.05679 3.73229 2.21089 -99.71400 696.50868
4270.0000 -103.48860 -99.68446 3.80414 2.23916 -99.36701 703.97651
4275.0000 -103.54645 -99.50132 4.04513 2.20776 -99.75239 694.57008
4280.0000 -103.77145 -100.30833 3.46313 2.15764 -100.36758 659.25100
4285.0000 -103.99349 -100.80000 3.19349 2.17049 -100.20984 634.61637
4290.0000 -104.71568 -100.55336 4.16232 2.11306 -100.91473 646.97389
4295.0000 -104.29138 -99.15082 5.14056 2.19763 -99.87679 694.09699
4300.0000 -103.48277 -99.40879 4.07398 2.23318 -99.44044 725.74974
4305.0000 -104.01736 -100.21426 3.80310 2.19877 -99.86269 697.40337
4310.0000 -103.73081 -100.33301 3.39780 2.15813 -100.36160 652.40259
4315.0000 -104.55754 -101.28004 3.27750 2.12409 -100.77930 639.51640
4320.0000 -104.81000 -101.15755 3.65244 2.08074 -101.31142 596.83936
4325.0000 -104.13735 -100.40190 3.73545 2.06741 -101.47509 594.88287
4330.0000 -104.67855 -101.41402 3.26454 2.09174 -101.17643 642.47085
4335.0000 -104.48234 -101.32015 3.16219 2.13914 -100.59460 698.45919
4340.0000 -104.54898 -101.50722 3.04177 2.09620 -101.12172 617.80324
4345.0000 -105.64829 -101.94858 3.69971 2.07067 -101.43500 576.11034
4350.0000 -103.81585 -100.03630 3.77955 2.12814 -100.72961 630.01447
4355.0000 -104.43504 -100.71337 3.72168 2.15000 -100.46128 630.34226
4360.0000 -103.73381 -100.29978 3.43403 2.17452 -100.16041 698.42636
4365.0000 -103.16842 -100.43431 2.73411 2.17722 -100.12728 667.10957
4370.0000 -103.71459 -100.03524 3.67935 2.18491 -100.03280 680.54129
4375.0000 -103.90075 -100.18139 3.71935 2.17333 -100.17497 679.91906
4380.0000 -104.62148 -101.07209 3.54940 2.13614 -100.63148 648.33100
4385.0000 -103.50958 -100.37127 3.13830 2.12756 -100.73677 639.31744
4390.0000 -103.95560 -99.61000 4.34560 2.15718 -100.37325 674.33141
4395.0000 -103.77967 -99.64030 4.13937 2.20535 -99.78197 678.17501
4400.0000 -103.59512 -99.07852 4.51659 2.23064 -99.47152 712.95599
4405.0000 -103.75951 -99.70398 4.05553 2.24423 -99.30480 731.29166
4410.0000 -105.25731 -101.43328 3.82403 2.12534 -100.76404 624.95082
4415.0000 -104.34048 -100.58830 3.75218 2.06565 -101.49664 557.80219
4420.0000 -104.22943 -99.98583 4.24359 2.19016 -99.96837 679.36753
4425.0000 -103.51458 -99.89123 3.62336 2.19461 -99.91375 726.19249
4430.0000 -104.04469 -100.65557 3.38913 2.18059 -100.08591 642.74023
4435.0000 -104.56346 -100.82424 3.73922 2.12789 -100.73275 655.77529
4440.0000 -103.16095 -100.15503 3.00593 2.10393 -101.02683 613.89212
4445.0000 -104.32196 -100.98728 3.33468 2.17168 -100.19525 665.98858
4450.0000 -104.36335 -100.61879 3.74456 2.10557 -101.00671 654.61710
4455.0000 -104.40606 -100.57830 3.82777 2.14189 -100.56086 646.35853
4460.0000 -103.98326 -100.20615 3.77710 2.14240 -100.55460 638.61348
4465.0000 -103.51781 -99.62436 3.89345 2.21479 -99.66607 706.49181
4470.0000 -103.90028 -100.06416 3.83612 2.16632 -100.26098 656.46206
4475.0000 -104.06022 -100.75629 3.30393 2.19163 -99.95032 694.89707
4480.0000 -104.23674 -101.05263 3.18410 2.12135 -100.81292 639.21860
4485.0000 -103.80036 -100.64105 3.15931 2.13355 -100.66318 649.13403
4490.0000 -105.00171 -101.05534 3.94637 2.09921 -101.08470 605.26393
4495.0000 -104.41933 -101.01666 3.40267 2.12478 -100.77091 648.71781
4500.0000 -104.24435 -100.11625 4.12810 2.13518 -100.64326 654.91456
FREEZING PROCESS: loop number 19 T-loop= 630.00000000000000
main_MD> interactions number 19 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85771 -0.92209 0.25820
force_rgl> df(natom) 0.88038 1.74152 -1.98502
4505.0000 -103.79701 -100.65237 3.14464 2.15731 -100.37167 640.14837
4510.0000 -104.56705 -101.57721 2.98983 2.06376 -101.51978 604.70008
4515.0000 -104.66839 -101.32894 3.33945 2.05770 -101.59422 583.73879
4520.0000 -104.30953 -100.80579 3.50373 2.09731 -101.10800 637.75449
4525.0000 -104.08521 -100.04335 4.04186 2.17576 -100.14515 667.52812
4530.0000 -104.34795 -100.17353 4.17441 2.18127 -100.07752 685.04029
4535.0000 -104.08923 -100.98286 3.10636 2.13286 -100.67173 647.80618
4540.0000 -104.02344 -101.03653 2.98691 2.10849 -100.97088 603.41362
4545.0000 -104.51227 -100.58918 3.92309 2.10402 -101.02573 569.19547
4550.0000 -103.69924 -100.58708 3.11216 2.12597 -100.75626 610.76251
4555.0000 -104.35200 -100.80146 3.55054 2.07525 -101.37877 589.07051
4560.0000 -102.80728 -99.74725 3.06003 2.14353 -100.54071 627.27161
4565.0000 -103.87406 -100.36691 3.50715 2.17533 -100.15042 654.56146
4570.0000 -103.94368 -99.31514 4.62854 2.20302 -99.81061 703.88372
4575.0000 -104.07124 -100.10891 3.96232 2.21216 -99.69834 713.01584
4580.0000 -104.63878 -101.17919 3.45959 2.12888 -100.72053 619.06432
4585.0000 -104.71465 -101.27250 3.44215 2.12726 -100.74043 645.61100
4590.0000 -104.21235 -100.95887 3.25348 2.05440 -101.63477 546.00784
4595.0000 -103.66554 -99.56279 4.10275 2.11275 -100.91850 613.45019
4600.0000 -104.15706 -99.73350 4.42356 2.20202 -99.82290 708.02443
4605.0000 -103.55772 -100.22751 3.33021 2.19839 -99.86743 720.07508
4610.0000 -104.13547 -100.76175 3.37372 2.11052 -100.94597 617.23681
4615.0000 -104.25889 -100.07659 4.18230 2.16722 -100.25003 662.69207
4620.0000 -104.25231 -100.71902 3.53330 2.16184 -100.31605 685.23627
4625.0000 -104.86843 -101.92704 2.94139 2.08931 -101.20622 604.95615
4630.0000 -104.99262 -101.96930 3.02333 2.06709 -101.47897 570.05086
4635.0000 -104.63996 -101.16487 3.47509 2.04137 -101.79467 576.05594
4640.0000 -103.79905 -100.98951 2.80953 2.07507 -101.38098 566.41395
4645.0000 -104.89561 -101.28788 3.60772 2.13753 -100.61438 652.41305
4650.0000 -104.83632 -101.20358 3.63275 2.11661 -100.87121 638.16102
4655.0000 -103.95184 -100.37815 3.57369 2.13131 -100.69079 639.87622
4660.0000 -105.07401 -101.24838 3.82563 2.10918 -100.96231 619.37861
4665.0000 -105.02852 -101.81003 3.21849 2.06655 -101.48561 584.59751
4670.0000 -105.63049 -102.85289 2.77760 2.02971 -101.93770 551.47477
4675.0000 -104.80148 -101.55656 3.24492 1.98432 -102.49481 528.87873
4680.0000 -104.97995 -101.51770 3.46225 2.04131 -101.79538 599.25094
4685.0000 -105.48769 -102.14805 3.33963 2.04086 -101.80089 591.05964
4690.0000 -104.77653 -101.27039 3.50615 2.05108 -101.67550 571.21825
4695.0000 -104.04205 -100.68929 3.35275 2.14499 -100.52286 658.83495
4700.0000 -103.92318 -100.96937 2.95380 2.15403 -100.41184 632.28912
4705.0000 -105.07266 -101.76694 3.30571 2.07116 -101.42899 563.53370
4710.0000 -104.34510 -101.16211 3.18299 2.07525 -101.37875 570.33392
4715.0000 -104.02800 -100.61117 3.41683 2.09247 -101.16750 586.98579
4720.0000 -105.02686 -101.32155 3.70531 2.12215 -100.80315 614.59942
4725.0000 -104.53582 -100.66604 3.86978 2.10711 -100.98779 606.08370
4730.0000 -103.87157 -100.24776 3.62381 2.12395 -100.78110 612.72727
4735.0000 -103.76416 -100.51324 3.25092 2.12752 -100.73720 623.77677
4740.0000 -103.20398 -99.66058 3.54340 2.15310 -100.42332 643.26445
4745.0000 -103.47447 -100.06948 3.40499 2.19512 -99.90752 664.78094
4750.0000 -104.20763 -101.49240 2.71522 2.14283 -100.54931 654.80860
FREEZING PROCESS: loop number 20 T-loop= 605.00000000000000
main_MD> interactions number 20 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87350 4.80389 -2.74674
force_rgl> df(natom) -0.68632 -1.23205 2.26935
4755.0000 -104.93579 -101.42522 3.51057 2.10609 -101.00030 612.49637
4760.0000 -104.70917 -101.70082 3.00835 2.01867 -102.07322 548.31545
4765.0000 -104.92154 -101.69890 3.22264 2.02353 -102.01355 555.73673
4770.0000 -104.95393 -101.75869 3.19523 2.03246 -101.90403 581.74790
4775.0000 -104.49028 -101.70254 2.78774 2.03854 -101.82941 585.50937
4780.0000 -105.35288 -102.30222 3.05066 2.04471 -101.75362 588.29974
4785.0000 -104.18283 -101.10846 3.07437 2.02574 -101.98644 583.05489
4790.0000 -105.54199 -102.37721 3.16478 2.06392 -101.51792 589.39041
4795.0000 -104.81256 -101.17474 3.63782 2.03410 -101.88390 565.60409
4800.0000 -104.48774 -100.95829 3.52945 2.11656 -100.87183 650.81133
4805.0000 -104.96703 -101.71967 3.24736 2.10822 -100.97416 631.49379
4810.0000 -105.53250 -102.80444 2.72806 2.02147 -102.03894 551.20610
4815.0000 -104.70700 -101.65851 3.04849 2.01665 -102.09808 568.16075
4820.0000 -103.94515 -101.10825 2.83689 2.04586 -101.73950 602.69006
4825.0000 -104.62878 -101.18455 3.44422 2.05043 -101.68344 587.05384
4830.0000 -104.17084 -100.00171 4.16913 2.12795 -100.73195 631.42488
4835.0000 -104.35129 -100.21439 4.13690 2.20307 -99.80995 702.19325
4840.0000 -104.64161 -101.03067 3.61093 2.15890 -100.35210 668.93011
4845.0000 -105.52425 -102.65932 2.86493 2.08263 -101.28816 589.80267
4850.0000 -105.44330 -101.24036 4.20294 2.03498 -101.87312 556.32305
4855.0000 -103.84756 -100.69457 3.15299 2.10329 -101.03460 610.77668
4860.0000 -104.11798 -100.89506 3.22293 2.16884 -100.23011 663.33734
4865.0000 -106.01643 -102.72974 3.28669 2.03967 -101.81550 605.55471
4870.0000 -104.93627 -101.88412 3.05215 2.02280 -102.02254 569.79880
4875.0000 -104.12201 -100.72420 3.39781 2.08323 -101.28086 613.29951
4880.0000 -104.06191 -100.26689 3.79501 2.16334 -100.29762 669.93252
4885.0000 -104.30775 -100.33757 3.97019 2.15740 -100.37053 652.30986
4890.0000 -104.36765 -100.53962 3.82803 2.15967 -100.34262 647.54297
4895.0000 -104.40422 -100.94302 3.46120 2.13704 -100.62046 636.85391
4900.0000 -104.24793 -100.38946 3.85847 2.15957 -100.34392 672.17633
4905.0000 -105.02997 -101.32777 3.70220 2.12278 -100.79539 623.56861
4910.0000 -104.99860 -101.82263 3.17597 2.02771 -101.96228 547.88117
4915.0000 -104.63065 -101.90416 2.72649 2.03271 -101.90092 547.55917
4920.0000 -103.93374 -100.89984 3.03390 2.06926 -101.45231 570.01541
4925.0000 -104.88471 -101.40242 3.48229 2.11201 -100.92757 595.79402
4930.0000 -105.13013 -101.91491 3.21522 2.10353 -101.03172 609.19818
4935.0000 -104.85841 -101.09413 3.76429 2.10855 -100.97007 616.05782
4940.0000 -104.82372 -101.41741 3.40631 2.07952 -101.32635 625.63053
4945.0000 -105.95933 -102.57416 3.38518 2.04360 -101.76726 590.51168
4950.0000 -104.42895 -101.34417 3.08478 2.00791 -102.20529 566.22714
4955.0000 -104.88384 -101.24527 3.63857 2.09385 -101.15046 619.80367
4960.0000 -103.61017 -100.40684 3.20332 2.11069 -100.94381 624.70889
4965.0000 -104.12205 -100.28016 3.84189 2.16498 -100.27741 695.15193
4970.0000 -104.28135 -100.31814 3.96321 2.16907 -100.22728 681.19759
4975.0000 -103.67983 -100.81506 2.86477 2.12621 -100.75335 654.37339
4980.0000 -105.02185 -101.37498 3.64686 2.05962 -101.57068 606.43075
4985.0000 -104.55442 -100.58115 3.97326 2.14847 -100.48017 649.50953
4990.0000 -104.18094 -100.07951 4.10143 2.16872 -100.23160 670.25445
4995.0000 -104.56620 -101.99204 2.57416 2.11673 -100.86967 631.36442
5000.0000 -104.62460 -101.39237 3.23222 2.04483 -101.75216 569.57620
FREEZING PROCESS: loop number 21 T-loop= 580.00000000000000
main_MD> interactions number 21 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61223 -3.85334 -0.62807
force_rgl> df(natom) 1.72203 3.79472 3.45467
5005.0000 -104.73544 -101.30491 3.43054 2.03710 -101.84708 578.48137
5010.0000 -105.79876 -101.56345 4.23531 2.03105 -101.92127 580.85935
5015.0000 -105.43409 -102.41979 3.01429 2.04690 -101.72672 572.92176
5020.0000 -105.41354 -101.99044 3.42310 2.01369 -102.13442 573.53949
5025.0000 -105.10424 -102.35904 2.74520 2.00524 -102.23809 561.50526
5030.0000 -105.56380 -102.38252 3.18128 1.96826 -102.69200 505.79687
5035.0000 -104.44584 -101.48108 2.96475 2.00793 -102.20508 560.65714
5040.0000 -105.92908 -103.01087 2.91821 2.01082 -102.16961 536.23415
5045.0000 -105.66426 -102.74299 2.92127 1.94467 -102.98146 500.12053
5050.0000 -105.22825 -102.08991 3.13834 2.01970 -102.06062 553.48991
5055.0000 -105.08668 -101.66048 3.42620 2.05177 -101.66700 588.54880
5060.0000 -104.70063 -101.03205 3.66858 2.09965 -101.07927 618.94329
5065.0000 -105.14286 -101.72474 3.41813 2.11084 -100.94195 625.72742
5070.0000 -105.50063 -102.49108 3.00954 2.03305 -101.89681 572.42456
5075.0000 -105.42231 -102.53114 2.89116 2.02103 -102.04423 558.88590
5080.0000 -105.81508 -102.21279 3.60229 2.02214 -102.03065 578.61101
5085.0000 -104.59988 -101.58298 3.01690 2.02054 -102.05036 552.95449
5090.0000 -104.58737 -101.53648 3.05089 2.05115 -101.67456 569.92446
5095.0000 -104.12518 -101.25790 2.86727 2.08938 -101.20540 606.45863
5100.0000 -104.80749 -101.46230 3.34519 2.07046 -101.43765 601.59298
5105.0000 -104.44670 -101.19115 3.25555 2.05533 -101.62327 577.05224
5110.0000 -105.10090 -101.35426 3.74664 2.06102 -101.55347 567.05524
5115.0000 -105.47056 -102.39253 3.07803 2.06836 -101.46336 590.94197
5120.0000 -104.94080 -102.25565 2.68515 2.02824 -101.95581 566.88429
5125.0000 -105.02226 -102.32312 2.69914 2.00717 -102.21445 559.08454
5130.0000 -105.86547 -102.63126 3.23421 2.01174 -102.15835 537.71899
5135.0000 -104.89594 -101.80643 3.08951 1.97426 -102.61832 506.27974
5140.0000 -105.40423 -101.83610 3.56812 2.05412 -101.63810 583.14816
5145.0000 -105.10160 -101.79943 3.30217 2.01406 -102.12981 551.86768
5150.0000 -105.16329 -101.90178 3.26151 2.01514 -102.11662 557.21719
5155.0000 -105.13272 -102.59268 2.54004 1.99068 -102.41676 554.67979
5160.0000 -106.23086 -102.83261 3.39825 1.96428 -102.74078 526.30878
5165.0000 -104.44957 -100.72174 3.72784 2.03875 -101.82675 578.62406
5170.0000 -105.31923 -101.70179 3.61743 2.11940 -100.83697 663.92446
5175.0000 -104.15618 -100.43982 3.71637 2.07688 -101.35877 615.46504
5180.0000 -104.96775 -101.80903 3.15872 2.03506 -101.87206 577.12405
5185.0000 -103.88608 -100.96725 2.91882 2.07437 -101.38957 616.74867
5190.0000 -105.54738 -102.37980 3.16757 2.03023 -101.93131 598.28172
5195.0000 -105.43788 -102.84579 2.59209 1.97014 -102.66890 511.53489
5200.0000 -104.88987 -101.41833 3.47154 2.01124 -102.16448 551.55961
5205.0000 -104.00544 -100.88364 3.12180 2.10359 -101.03100 607.38878
5210.0000 -105.22529 -100.99687 4.22842 2.11677 -100.86921 613.46608
5215.0000 -105.65516 -103.08974 2.56542 2.00460 -102.24600 555.28420
5220.0000 -104.33526 -101.84074 2.49452 1.98451 -102.49256 528.46669
5225.0000 -104.37970 -100.98423 3.39547 2.06893 -101.45636 612.70502
5230.0000 -104.75153 -102.07613 2.67540 2.05853 -101.58400 574.33821
5235.0000 -104.95163 -102.28081 2.67082 2.02264 -102.02450 544.39062
5240.0000 -104.42013 -101.32724 3.09289 2.04392 -101.76329 560.12355
5245.0000 -105.11609 -101.79421 3.32188 2.02626 -101.98014 562.84511
5250.0000 -105.44436 -102.11810 3.32627 2.02641 -101.97829 584.58386
FREEZING PROCESS: loop number 22 T-loop= 555.00000000000000
main_MD> interactions number 22 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.46437 1.03034 -1.96216
force_rgl> df(natom) -2.34031 -1.07071 -0.20287
5255.0000 -104.84419 -101.54765 3.29653 2.05063 -101.68095 576.10358
5260.0000 -104.67373 -101.54404 3.12970 2.05357 -101.64490 589.84908
5265.0000 -104.72886 -101.71822 3.01064 2.08393 -101.27230 616.53858
5270.0000 -105.10357 -101.61146 3.49211 2.03757 -101.84127 559.38575
5275.0000 -104.64141 -101.51965 3.12176 2.08473 -101.26241 619.07916
5280.0000 -105.02874 -101.82352 3.20522 2.07763 -101.34957 572.73093
5285.0000 -105.23569 -101.61996 3.61573 2.02797 -101.95915 548.70351
5290.0000 -104.85750 -101.72204 3.13546 2.07287 -101.40805 625.36742
5295.0000 -105.11663 -102.72443 2.39220 1.98502 -102.48625 504.63301
5300.0000 -105.54612 -102.70557 2.84055 1.98823 -102.44687 533.72972
5305.0000 -105.68416 -102.81274 2.87143 1.97397 -102.62193 521.96397
5310.0000 -105.11585 -102.57981 2.53604 1.97673 -102.58798 531.68245
5315.0000 -105.10076 -101.90771 3.19305 1.97351 -102.62749 526.22915
5320.0000 -104.77852 -102.02576 2.75276 2.01094 -102.16819 531.36233
5325.0000 -105.02957 -101.63466 3.39491 2.02764 -101.96313 536.31228
5330.0000 -105.46803 -102.95596 2.51206 1.95503 -102.85441 487.03388
5335.0000 -105.60811 -102.87026 2.73785 1.92816 -103.18414 467.77570
5340.0000 -104.99712 -101.90422 3.09290 2.01394 -102.13134 552.05150
5345.0000 -105.58018 -102.62398 2.95619 2.00785 -102.20601 542.61963
5350.0000 -105.53947 -102.71466 2.82481 1.95787 -102.81948 480.39087
5355.0000 -105.98507 -103.24969 2.73538 1.94669 -102.95677 487.71364
5360.0000 -105.12168 -102.45027 2.67141 1.97474 -102.61246 483.87932
5365.0000 -105.47478 -102.41270 3.06208 2.01919 -102.06686 563.81398
5370.0000 -104.58605 -101.61927 2.96677 2.02528 -101.99215 557.97500
5375.0000 -104.32750 -100.90201 3.42550 2.09226 -101.16999 630.29751
5380.0000 -104.70952 -101.01830 3.69122 2.10855 -100.97007 599.59349
5385.0000 -104.47151 -101.39286 3.07865 2.06857 -101.46075 596.27217
5390.0000 -105.00575 -102.12175 2.88400 2.03555 -101.86611 580.15650
5395.0000 -105.25226 -102.50364 2.74862 2.01459 -102.12328 541.07685
5400.0000 -104.83469 -101.39748 3.43721 2.04031 -101.80766 556.79440
5405.0000 -104.77209 -102.43655 2.33554 2.02155 -102.03792 563.24817
5410.0000 -105.41706 -102.09179 3.32526 2.01301 -102.14277 542.10986
5415.0000 -104.52471 -101.41552 3.10920 2.04178 -101.78965 566.37001
5420.0000 -105.10607 -101.96443 3.14164 2.06336 -101.52474 566.61576
5425.0000 -104.46686 -101.42884 3.03802 2.06487 -101.50617 579.54347
5430.0000 -105.02422 -101.01465 4.00957 2.08480 -101.26162 598.42789
5435.0000 -105.69590 -102.94048 2.75542 2.01118 -102.16522 544.89651
5440.0000 -105.23527 -102.46666 2.76861 1.96509 -102.73093 503.31230
5445.0000 -105.00654 -102.35997 2.64657 2.02195 -102.03300 534.51194
5450.0000 -105.43024 -102.23159 3.19865 2.00313 -102.26397 547.90609
5455.0000 -105.23277 -102.47604 2.75672 1.99336 -102.38396 516.08302
5460.0000 -105.96128 -103.19115 2.77013 1.97093 -102.65915 506.75640
5465.0000 -105.80496 -103.41766 2.38731 1.94206 -103.01356 493.86421
5470.0000 -105.15741 -102.99840 2.15901 1.92068 -103.27592 463.37631
5475.0000 -105.57964 -102.52116 3.05847 1.96204 -102.76826 517.47612
5480.0000 -104.52618 -101.24846 3.27772 2.00204 -102.27738 553.29880
5485.0000 -105.08005 -101.72598 3.35407 2.07264 -101.41083 601.21661
5490.0000 -105.47252 -102.19013 3.28239 2.03317 -101.89531 583.81066
5495.0000 -105.67884 -102.51022 3.16861 1.99793 -102.32777 561.51143
5500.0000 -105.51377 -102.71426 2.79950 1.96665 -102.71175 522.48858
FREEZING PROCESS: loop number 23 T-loop= 530.00000000000000
main_MD> interactions number 23 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02750 -1.28863 -2.56688
force_rgl> df(natom) -1.17089 2.34962 1.51937
5505.0000 -104.97229 -102.68959 2.28270 1.95093 -102.90463 506.71129
5510.0000 -105.81358 -102.97401 2.83958 1.97791 -102.57351 536.61310
5515.0000 -105.41873 -102.77601 2.64272 1.93387 -103.11409 479.35676
5520.0000 -105.58048 -102.80193 2.77855 1.98263 -102.51555 526.61797
5525.0000 -105.99206 -103.04066 2.95140 1.95281 -102.88156 486.86586
5530.0000 -105.49037 -102.78462 2.70575 1.96272 -102.75995 502.56771
5535.0000 -105.80384 -102.92164 2.88219 1.94117 -103.02441 514.80839
5540.0000 -106.61282 -103.78113 2.83169 1.89538 -103.58652 461.86671
5545.0000 -105.91462 -102.79020 3.12443 1.91808 -103.30785 490.24421
5550.0000 -105.26985 -102.34192 2.92792 1.95595 -102.84310 521.30650
5555.0000 -105.25949 -102.13967 3.11983 2.00627 -102.22547 561.54793
5560.0000 -105.27035 -102.17450 3.09584 1.98477 -102.48929 523.73472
5565.0000 -105.60506 -102.89470 2.71036 2.01060 -102.17229 546.97204
5570.0000 -106.28581 -102.94506 3.34075 1.95018 -102.91388 520.97198
5575.0000 -106.35237 -102.69803 3.65434 1.97060 -102.66322 543.87551
5580.0000 -105.16213 -102.23314 2.92899 1.98357 -102.50406 548.56631
5585.0000 -105.72913 -102.86506 2.86407 1.96280 -102.75898 482.81962
5590.0000 -105.49118 -102.25518 3.23600 1.97534 -102.60513 524.74306
5595.0000 -105.46843 -102.52187 2.94656 1.98604 -102.47370 519.10475
5600.0000 -104.72098 -102.00826 2.71273 2.02619 -101.98090 548.65547
5605.0000 -105.86664 -102.87883 2.98781 1.98103 -102.53527 513.08792
5610.0000 -105.07310 -102.55660 2.51650 1.98509 -102.48538 522.25778
5615.0000 -105.84573 -103.19198 2.65375 1.96599 -102.71989 471.33810
5620.0000 -105.52667 -102.40045 3.12622 1.94938 -102.92372 460.49346
5625.0000 -105.15563 -102.41842 2.73721 2.00706 -102.21573 520.33351
5630.0000 -105.51812 -102.21548 3.30263 2.00652 -102.22243 557.59964
5635.0000 -106.27618 -103.07556 3.20062 1.97440 -102.61663 537.71792
5640.0000 -106.03112 -103.73656 2.29456 1.90577 -103.45895 475.97281
5645.0000 -106.26835 -104.01602 2.25234 1.89105 -103.63963 476.18448
5650.0000 -106.29782 -103.24240 3.05542 1.86528 -103.95593 428.55450
5655.0000 -105.54444 -102.90961 2.63483 1.93285 -103.12662 466.37998
5660.0000 -105.36376 -102.62430 2.73946 1.98118 -102.53338 531.31088
5665.0000 -105.19457 -102.63558 2.55899 1.97683 -102.58680 552.09811
5670.0000 -105.09886 -102.08619 3.01267 2.00446 -102.24765 540.62030
5675.0000 -105.09734 -102.33121 2.76613 1.99392 -102.37708 521.73041
5680.0000 -106.38478 -103.72560 2.65917 1.91316 -103.36822 464.46210
5685.0000 -105.58326 -102.85894 2.72432 1.93032 -103.15770 479.84347
5690.0000 -106.35477 -103.23842 3.11635 1.93371 -103.11598 510.81805
5695.0000 -104.71110 -101.36614 3.34496 1.98346 -102.50537 558.44310
5700.0000 -104.51634 -100.62706 3.88929 2.07285 -101.40831 612.79830
5705.0000 -105.40800 -102.30629 3.10170 2.03974 -101.81466 567.76022
5710.0000 -104.78928 -101.06839 3.72089 2.06165 -101.54569 578.94043
5715.0000 -105.02483 -102.14988 2.87495 1.98408 -102.49783 557.76113
5720.0000 -105.89308 -103.00667 2.88640 1.96713 -102.70578 526.07165
5725.0000 -105.59004 -103.18291 2.40714 1.91233 -103.37848 453.69776
5730.0000 -105.78150 -102.79185 2.98965 1.94960 -102.92105 514.09470
5735.0000 -105.69678 -102.26111 3.43567 1.98304 -102.51057 553.94346
5740.0000 -106.02269 -102.71833 3.30436 2.00269 -102.26943 565.96417
5745.0000 -105.24000 -102.42113 2.81888 2.00827 -102.20092 555.30759
5750.0000 -105.11985 -102.17666 2.94319 2.01565 -102.11028 551.60882
FREEZING PROCESS: loop number 24 T-loop= 505.00000000000000
main_MD> interactions number 24 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.61155 2.05300 2.67292
force_rgl> df(natom) -1.03254 -1.79189 -0.23763
5755.0000 -106.19081 -102.93322 3.25759 2.02171 -102.03589 562.63722
5760.0000 -105.87202 -103.05682 2.81520 1.92576 -103.21356 484.00093
5765.0000 -106.22488 -103.51251 2.71237 1.91961 -103.28913 485.84490
5770.0000 -105.17957 -102.29685 2.88273 1.98898 -102.43764 536.66517
5775.0000 -105.17122 -101.82647 3.34475 2.02291 -102.02126 549.52189
5780.0000 -105.62062 -101.96261 3.65800 2.02776 -101.96173 577.05113
5785.0000 -105.28191 -102.05398 3.22794 2.03134 -101.91771 597.05552
5790.0000 -105.34308 -102.74862 2.59445 2.00117 -102.28800 546.56080
5795.0000 -105.77894 -103.44786 2.33108 1.95997 -102.79369 519.62464
5800.0000 -105.80971 -102.87698 2.93272 1.89419 -103.60114 467.55561
5805.0000 -105.47079 -102.71541 2.75538 1.96927 -102.67963 516.63564
5810.0000 -105.15596 -102.47884 2.67713 1.96839 -102.69039 516.23174
5815.0000 -105.87964 -103.23221 2.64743 1.96273 -102.75987 524.81577
5820.0000 -106.09020 -103.05469 3.03552 1.92532 -103.21904 480.13651
5825.0000 -105.53208 -102.81627 2.71581 1.95369 -102.87085 493.84747
5830.0000 -105.92974 -102.93307 2.99667 1.96051 -102.78704 489.50696
5835.0000 -106.16069 -103.39204 2.76865 1.92489 -103.22423 481.69806
5840.0000 -105.69459 -103.07139 2.62321 1.91169 -103.38628 467.82085
5845.0000 -104.34831 -101.52751 2.82080 1.98412 -102.49730 502.62815
5850.0000 -105.45850 -102.28388 3.17462 2.01698 -102.09394 546.32064
5855.0000 -105.22328 -102.47407 2.74921 1.96729 -102.70386 501.87150
5860.0000 -105.56770 -102.36209 3.20561 2.02988 -101.93567 547.42973
5865.0000 -105.79791 -102.90760 2.89030 1.96059 -102.78612 505.23026
5870.0000 -105.61599 -102.72475 2.89124 1.95175 -102.89457 492.60017
5875.0000 -105.06387 -102.27494 2.78893 1.95181 -102.89387 499.38581
5880.0000 -104.09331 -101.52370 2.56961 2.01206 -102.15442 543.18671
5885.0000 -105.24339 -102.63544 2.60795 2.01801 -102.08138 520.85045
5890.0000 -105.54989 -103.05972 2.49017 1.93535 -103.09596 476.69762
5895.0000 -105.20192 -102.30521 2.89671 1.95122 -102.90118 501.15153
5900.0000 -104.50405 -101.49038 3.01368 2.00395 -102.25393 541.56937
5905.0000 -104.87770 -101.91056 2.96715 2.02233 -102.02831 542.09897
5910.0000 -105.38513 -102.27210 3.11303 2.02499 -101.99567 558.46565
5915.0000 -105.54022 -102.76048 2.77974 1.96507 -102.73115 495.85429
5920.0000 -105.28104 -102.94353 2.33751 1.95567 -102.84651 486.82643
5925.0000 -105.63101 -102.79968 2.83133 1.96086 -102.78283 497.74276
5930.0000 -105.16974 -102.00934 3.16040 1.99159 -102.40561 561.15109
5935.0000 -105.86231 -102.81782 3.04449 1.97596 -102.59747 540.42562
5940.0000 -105.95646 -103.21295 2.74351 1.95168 -102.89547 516.53299
5945.0000 -106.33825 -103.28105 3.05720 1.91681 -103.32342 480.32013
5950.0000 -105.88535 -102.99100 2.89435 1.96504 -102.73152 529.71778
5955.0000 -105.75149 -102.60319 3.14830 1.93396 -103.11295 474.24505
5960.0000 -105.35021 -103.10895 2.24126 1.94657 -102.95822 505.89745
5965.0000 -105.89624 -103.19206 2.70418 1.90616 -103.45423 472.79774
5970.0000 -105.12975 -101.83974 3.29001 1.92113 -103.27049 470.94821
5975.0000 -105.20439 -102.62284 2.58155 2.02888 -101.94800 558.65499
5980.0000 -105.10817 -102.49242 2.61576 1.94185 -103.01614 469.15503
5985.0000 -105.74164 -103.28270 2.45895 1.92874 -103.17699 459.76470
5990.0000 -105.41062 -102.81948 2.59114 1.95554 -102.84809 488.12607
5995.0000 -105.64835 -102.78166 2.86669 1.97625 -102.59386 522.99709
6000.0000 -105.53620 -102.95756 2.57864 1.96040 -102.78839 513.28512
FREEZING PROCESS: loop number 25 T-loop= 480.00000000000000
main_MD> interactions number 25 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48426 -1.53037 0.69061
force_rgl> df(natom) -0.84628 -1.48345 -0.29474
6005.0000 -105.75032 -103.13608 2.61424 1.93234 -103.13280 484.66933
6010.0000 -105.93631 -103.11243 2.82388 1.94449 -102.98369 524.34872
6015.0000 -105.65042 -102.87036 2.78006 1.94960 -102.92105 498.99567
6020.0000 -105.51571 -102.89299 2.62272 1.94402 -102.98946 485.84466
6025.0000 -105.32473 -102.78795 2.53678 1.94682 -102.95507 471.96236
6030.0000 -105.96364 -103.50920 2.45444 1.92943 -103.16853 460.38478
6035.0000 -105.77191 -103.41124 2.36067 1.88797 -103.67741 434.69912
6040.0000 -105.44606 -103.07246 2.37360 1.93365 -103.11676 457.89001
6045.0000 -105.73166 -103.44838 2.28328 1.94394 -102.99044 462.17890
6050.0000 -105.64835 -103.15308 2.49527 1.89965 -103.53410 425.99685
6055.0000 -105.49951 -102.17929 3.32022 1.98038 -102.54323 507.16448
6060.0000 -104.78516 -101.71012 3.07503 2.03429 -101.88156 561.83014
6065.0000 -105.81315 -102.43761 3.37554 1.99051 -102.41893 533.00448
6070.0000 -105.49442 -102.90643 2.58798 1.94947 -102.92263 510.67718
6075.0000 -106.17586 -103.32473 2.85113 1.93215 -103.13515 495.91744
6080.0000 -105.59506 -103.14431 2.45075 1.93728 -103.07216 505.95661
6085.0000 -106.07779 -102.97733 3.10046 1.93661 -103.08049 494.10210
6090.0000 -105.97619 -103.06301 2.91318 1.95390 -102.86827 506.17164
6095.0000 -106.01292 -104.01931 1.99361 1.90979 -103.40961 482.47832
6100.0000 -105.82949 -103.31970 2.50978 1.88858 -103.66998 453.24362
6105.0000 -105.44266 -103.02712 2.41553 1.95721 -102.82755 485.43596
6110.0000 -105.45390 -102.31757 3.13632 1.96987 -102.67219 507.96913
6115.0000 -105.31820 -101.83278 3.48542 2.01375 -102.13366 559.15231
6120.0000 -105.66332 -103.23346 2.42986 1.99346 -102.38265 515.33537
6125.0000 -105.47429 -102.96712 2.50717 1.94518 -102.97529 472.03087
6130.0000 -105.44014 -102.88966 2.55048 1.94660 -102.95787 482.75336
6135.0000 -106.34448 -103.19334 3.15114 1.94812 -102.93911 507.35355
6140.0000 -105.40275 -102.61507 2.78767 1.92556 -103.21602 475.86450
6145.0000 -105.89816 -103.13343 2.76473 1.92830 -103.18243 485.12961
6150.0000 -105.13971 -102.13631 3.00340 2.00743 -102.21120 531.41259
6155.0000 -105.36919 -102.35942 3.00977 1.97702 -102.58447 484.12170
6160.0000 -105.58428 -103.06590 2.51838 1.95080 -102.90633 503.91809
6165.0000 -106.10415 -103.75736 2.34679 1.91121 -103.39224 468.95421
6170.0000 -106.17327 -103.23997 2.93330 1.89167 -103.63204 454.92856
6175.0000 -106.07458 -103.39826 2.67632 1.91495 -103.34633 469.43434
6180.0000 -105.94435 -103.25013 2.69422 1.93011 -103.16024 494.86561
6185.0000 -106.01897 -103.44075 2.57822 1.93637 -103.08341 494.10519
6190.0000 -106.31664 -103.77759 2.53905 1.89326 -103.61250 463.78911
6195.0000 -106.41926 -103.86453 2.55473 1.88254 -103.74407 458.65048
6200.0000 -106.60834 -103.96358 2.64476 1.87437 -103.84431 444.09888
6205.0000 -105.89143 -103.38087 2.51056 1.87753 -103.80560 431.06166
6210.0000 -106.13408 -103.93829 2.19579 1.88081 -103.76534 436.43886
6215.0000 -106.44114 -103.95565 2.48550 1.84890 -104.15702 417.28396
6220.0000 -106.09579 -103.68671 2.40908 1.88942 -103.65970 455.19190
6225.0000 -105.82123 -103.29238 2.52885 1.89775 -103.55745 453.22036
6230.0000 -106.21602 -103.73090 2.48512 1.90584 -103.45814 474.57360
6235.0000 -106.53096 -104.12230 2.40866 1.88355 -103.73167 449.74687
6240.0000 -106.32468 -104.15848 2.16620 1.83333 -104.34806 409.06388
6245.0000 -106.01112 -103.64142 2.36970 1.87038 -103.89335 443.74310
6250.0000 -106.32894 -104.40839 1.92055 1.85810 -104.04403 412.53936
FREEZING PROCESS: loop number 26 T-loop= 455.00000000000000
main_MD> interactions number 26 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60978 -2.66447 0.40863
force_rgl> df(natom) -1.18768 -3.69385 -0.22101
6255.0000 -106.76984 -104.80874 1.96110 1.81091 -104.62325 370.70693
6260.0000 -107.12656 -104.16444 2.96211 1.81915 -104.52217 398.65155
6265.0000 -106.63472 -104.52780 2.10692 1.81835 -104.53197 415.45888
6270.0000 -106.13218 -103.79023 2.34196 1.84327 -104.22605 430.17156
6275.0000 -106.09379 -103.58784 2.50595 1.86194 -103.99689 457.34929
6280.0000 -106.72006 -104.03148 2.68858 1.89776 -103.55731 481.89742
6285.0000 -106.88909 -104.49881 2.39028 1.85006 -104.14273 443.74214
6290.0000 -106.94638 -103.67549 3.27089 1.83780 -104.29319 437.95952
6295.0000 -106.47567 -104.26309 2.21258 1.87808 -103.79881 477.23595
6300.0000 -106.81137 -104.22333 2.58804 1.83081 -104.37904 428.34633
6305.0000 -106.15904 -104.33554 1.82350 1.86341 -103.97883 443.94055
6310.0000 -106.26023 -103.85403 2.40620 1.84124 -104.25104 431.95617
6315.0000 -106.53473 -103.95105 2.58368 1.87640 -103.81944 466.32851
6320.0000 -106.56803 -104.20323 2.36481 1.85568 -104.07370 436.32798
6325.0000 -106.63170 -104.14037 2.49133 1.84750 -104.17418 439.85194
6330.0000 -105.93077 -103.05411 2.87666 1.87685 -103.81393 476.36543
6335.0000 -106.21668 -103.36683 2.84986 1.93019 -103.15919 513.26918
6340.0000 -106.32008 -103.94190 2.37818 1.87992 -103.77620 467.88402
6345.0000 -106.16928 -103.59842 2.57086 1.88132 -103.75904 480.35836
6350.0000 -106.32841 -103.25649 3.07192 1.89833 -103.55034 481.89053
6355.0000 -106.30013 -104.09053 2.20960 1.85037 -104.13888 432.10414
6360.0000 -106.60028 -103.53571 3.06457 1.86311 -103.98253 452.34307
6365.0000 -106.27224 -104.08654 2.18570 1.87043 -103.89275 460.50565
6370.0000 -105.96414 -103.47880 2.48534 1.85913 -104.03138 453.76246
6375.0000 -106.47303 -104.10471 2.36833 1.86171 -103.99975 456.22462
6380.0000 -106.75743 -104.43341 2.32402 1.82831 -104.40964 425.51599
6385.0000 -107.14337 -104.23965 2.90372 1.83572 -104.31875 445.64968
6390.0000 -106.06655 -103.69880 2.36775 1.86892 -103.91121 438.02754
6395.0000 -105.94927 -103.39415 2.55512 1.91134 -103.39057 470.70863
6400.0000 -106.58518 -104.29000 2.29518 1.85360 -104.09930 420.15166
6405.0000 -106.43955 -104.54153 1.89803 1.83101 -104.37660 399.57590
6410.0000 -106.78193 -104.10908 2.67285 1.84023 -104.26334 402.58260
6415.0000 -105.71770 -103.71360 2.00410 1.86888 -103.91176 426.84507
6420.0000 -106.34346 -103.70963 2.63383 1.87409 -103.84776 426.90580
6425.0000 -105.68847 -103.37631 2.31216 1.89029 -103.64902 442.18834
6430.0000 -105.75384 -103.49992 2.25392 1.89556 -103.58427 445.18748
6435.0000 -106.22015 -103.77860 2.44155 1.90600 -103.45611 441.76190
6440.0000 -106.26469 -103.76123 2.50346 1.87739 -103.80726 427.84866
6445.0000 -106.63397 -104.32222 2.31175 1.86522 -103.95664 445.98197
6450.0000 -106.97639 -104.39372 2.58267 1.84085 -104.25583 424.65976
6455.0000 -106.22475 -103.54734 2.67742 1.87508 -103.83561 468.05300
6460.0000 -106.62473 -103.86148 2.76325 1.89475 -103.59424 481.05483
6465.0000 -106.20799 -103.46827 2.73973 1.88713 -103.68775 464.56775
6470.0000 -106.02898 -103.03793 2.99105 1.93003 -103.16120 481.24815
6475.0000 -105.95799 -103.36629 2.59170 1.91925 -103.29351 462.71651
6480.0000 -105.89846 -103.40836 2.49010 1.88556 -103.70697 434.02615
6485.0000 -105.88915 -103.05419 2.83496 1.93060 -103.15424 466.54872
6490.0000 -106.18768 -103.49137 2.69631 1.92330 -103.24385 482.50639
6495.0000 -106.18489 -103.02061 3.16428 1.90838 -103.42689 474.38458
6500.0000 -106.02777 -103.63352 2.39424 1.91785 -103.31067 471.79469
FREEZING PROCESS: loop number 27 T-loop= 430.00000000000000
main_MD> interactions number 27 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75864 0.46921 -0.70510
force_rgl> df(natom) 1.46461 1.69929 4.29770
6505.0000 -106.36426 -104.04375 2.32052 1.87318 -103.85901 430.47936
6510.0000 -106.83719 -104.67477 2.16242 1.84282 -104.23157 406.02355
6515.0000 -106.52643 -104.31544 2.21099 1.81937 -104.51941 394.39447
6520.0000 -105.81419 -103.49157 2.32262 1.85530 -104.07847 428.17398
6525.0000 -106.24876 -103.92854 2.32022 1.89313 -103.61407 473.70177
6530.0000 -106.32350 -103.62961 2.69390 1.85238 -104.11427 436.35750
6535.0000 -107.26701 -104.96053 2.30647 1.84258 -104.23449 430.35845
6540.0000 -106.79766 -105.23244 1.56522 1.79176 -104.85826 375.98316
6545.0000 -106.79285 -104.73433 2.05852 1.79847 -104.77596 383.42969
6550.0000 -106.75991 -104.33455 2.42536 1.81121 -104.61957 398.01814
6555.0000 -106.24976 -104.11436 2.13539 1.84286 -104.23109 420.00884
6560.0000 -106.21522 -103.30429 2.91094 1.88314 -103.73667 454.03475
6565.0000 -106.29366 -103.95351 2.34015 1.88970 -103.65622 462.35338
6570.0000 -106.34717 -103.65190 2.69528 1.87894 -103.78821 445.29467
6575.0000 -105.87149 -103.84283 2.02866 1.89075 -103.64337 463.36219
6580.0000 -105.86760 -103.40752 2.46008 1.87718 -103.80989 461.80469
6585.0000 -106.77491 -104.06516 2.70975 1.84273 -104.23271 412.50935
6590.0000 -106.33745 -104.27395 2.06350 1.82821 -104.41097 420.36512
6595.0000 -106.38556 -104.41364 1.97192 1.84372 -104.22053 424.97409
6600.0000 -106.48013 -103.97550 2.50463 1.82329 -104.47128 406.51748
6605.0000 -106.51562 -104.07062 2.44501 1.86101 -104.00828 457.14631
6610.0000 -106.65742 -104.41429 2.24313 1.85771 -104.04880 444.27771
6615.0000 -106.20544 -104.14543 2.06001 1.81313 -104.59602 399.77783
6620.0000 -106.44638 -104.28960 2.15678 1.85856 -104.03838 425.40947
6625.0000 -106.55667 -103.66430 2.89237 1.86988 -103.89942 460.10015
6630.0000 -106.85703 -104.32220 2.53482 1.86424 -103.96864 432.72355
6635.0000 -106.53092 -104.78279 1.74813 1.81199 -104.61000 394.47653
6640.0000 -106.90919 -104.87524 2.03395 1.80489 -104.69712 383.50894
6645.0000 -106.13536 -104.02728 2.10808 1.80675 -104.67431 381.14125
6650.0000 -106.08732 -103.96853 2.11880 1.85330 -104.10292 445.02465
6655.0000 -106.61578 -104.20285 2.41292 1.82160 -104.49202 416.92012
6660.0000 -106.47374 -104.38196 2.09178 1.84307 -104.22856 427.28637
6665.0000 -106.19892 -103.83481 2.36411 1.84375 -104.22024 406.72877
6670.0000 -106.73845 -104.02912 2.70933 1.85113 -104.12958 434.27583
6675.0000 -106.68440 -103.86178 2.82262 1.84215 -104.23982 424.71673
6680.0000 -106.80199 -104.33683 2.46517 1.85614 -104.06807 441.00857
6685.0000 -106.39979 -103.75732 2.64247 1.87121 -103.88318 437.39629
6690.0000 -106.25876 -103.74699 2.51177 1.90452 -103.47435 470.70415
6695.0000 -106.55159 -104.01666 2.53493 1.86029 -104.01720 437.46965
6700.0000 -106.54950 -104.10609 2.44341 1.84437 -104.21256 428.53881
6705.0000 -105.94034 -103.50685 2.43348 1.88767 -103.68113 467.98773
6710.0000 -106.13718 -103.43340 2.70378 1.90154 -103.51092 480.68147
6715.0000 -106.48224 -104.01002 2.47222 1.87229 -103.86988 456.03864
6720.0000 -106.30270 -103.87933 2.42337 1.90435 -103.47642 466.31680
6725.0000 -106.89044 -104.47894 2.41150 1.83006 -104.38818 428.02619
6730.0000 -106.65823 -104.45545 2.20278 1.79925 -104.76636 392.95127
6735.0000 -107.06192 -104.27584 2.78608 1.83423 -104.33697 416.41180
6740.0000 -106.11223 -103.94735 2.16488 1.83959 -104.27122 413.90949
6745.0000 -106.23913 -103.99593 2.24320 1.87870 -103.79126 451.84800
6750.0000 -106.45905 -103.63076 2.82829 1.87676 -103.81503 434.16002
FREEZING PROCESS: loop number 28 T-loop= 405.00000000000000
main_MD> interactions number 28 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33937 -3.12027 -0.29231
force_rgl> df(natom) 3.27902 1.30024 2.15181
6755.0000 -106.66700 -104.84892 1.81809 1.82577 -104.44093 390.05343
6760.0000 -106.59965 -104.29284 2.30681 1.83539 -104.32278 407.26063
6765.0000 -106.31436 -104.18802 2.12634 1.83152 -104.37025 392.10202
6770.0000 -106.86122 -104.67178 2.18944 1.83182 -104.36658 400.35126
6775.0000 -106.43754 -103.97386 2.46368 1.83061 -104.38145 382.63519
6780.0000 -106.48594 -104.01701 2.46894 1.86079 -104.01101 419.55684
6785.0000 -106.31738 -104.05810 2.25929 1.89403 -103.60309 455.65473
6790.0000 -106.78735 -104.36492 2.42243 1.85942 -104.02787 427.80902
6795.0000 -106.56533 -104.40635 2.15898 1.81882 -104.52614 397.45480
6800.0000 -106.54599 -104.22165 2.32434 1.83392 -104.34087 388.54382
6805.0000 -106.13335 -104.26629 1.86706 1.82354 -104.46820 382.03023
6810.0000 -105.97516 -103.41427 2.56089 1.87838 -103.79512 436.88481
6815.0000 -106.38553 -103.63897 2.74656 1.90615 -103.45427 452.40383
6820.0000 -105.94052 -103.62435 2.31616 1.90071 -103.52108 448.95780
6825.0000 -106.61171 -104.06661 2.54510 1.85734 -104.05333 412.59035
6830.0000 -106.47386 -104.09653 2.37733 1.83351 -104.34581 390.17377
6835.0000 -106.53244 -104.85818 1.67426 1.81371 -104.58886 380.77207
6840.0000 -106.37372 -104.04937 2.32435 1.83541 -104.32253 405.01254
6845.0000 -106.34440 -104.30796 2.03644 1.83545 -104.32206 406.07337
6850.0000 -106.73006 -104.44314 2.28692 1.83449 -104.33388 392.23844
6855.0000 -106.36089 -103.86205 2.49884 1.87666 -103.81630 445.73836
6860.0000 -106.61234 -104.40185 2.21049 1.84069 -104.25773 395.41263
6865.0000 -106.50511 -103.88543 2.61969 1.86572 -103.95050 421.10874
6870.0000 -106.63561 -104.37504 2.26057 1.83422 -104.33722 397.07683
6875.0000 -105.53466 -103.20510 2.32956 1.87454 -103.84231 443.55408
6880.0000 -106.69542 -104.32226 2.37316 1.89634 -103.57476 472.70702
6885.0000 -106.26558 -104.12579 2.13979 1.84112 -104.25252 428.83203
6890.0000 -106.62207 -103.79647 2.82560 1.90048 -103.52389 444.37238
6895.0000 -106.31699 -103.87803 2.43896 1.87917 -103.78548 446.55575
6900.0000 -106.33390 -104.35157 1.98233 1.83869 -104.28227 374.77809
6905.0000 -106.22859 -103.82348 2.40512 1.87610 -103.82314 415.48039
6910.0000 -106.09398 -104.15202 1.94195 1.86419 -103.96926 404.72565
6915.0000 -106.04972 -103.55383 2.49589 1.86616 -103.94519 412.46067
6920.0000 -106.34841 -103.94361 2.40480 1.88489 -103.71527 431.45528
6925.0000 -106.06974 -103.74113 2.32861 1.86024 -104.01777 415.05019
6930.0000 -106.55604 -104.61804 1.93801 1.82393 -104.46345 381.83392
6935.0000 -106.58622 -104.27527 2.31095 1.83666 -104.30718 385.54379
6940.0000 -106.33880 -104.14304 2.19576 1.83631 -104.31153 388.08314
6945.0000 -106.16489 -103.98624 2.17866 1.85349 -104.10068 413.57839
6950.0000 -106.41424 -104.08856 2.32569 1.84386 -104.21879 391.69097
6955.0000 -106.76225 -103.92460 2.83766 1.84144 -104.24851 398.12832
6960.0000 -106.34362 -103.80682 2.53680 1.85871 -104.03658 421.22327
6965.0000 -106.41417 -103.82109 2.59308 1.89013 -103.65088 462.86426
6970.0000 -106.27382 -104.10427 2.16956 1.87763 -103.80439 415.90581
6975.0000 -106.22393 -103.83173 2.39220 1.86872 -103.91373 440.93793
6980.0000 -106.47239 -104.28764 2.18475 1.80488 -104.69726 368.91422
6985.0000 -106.68275 -104.22767 2.45507 1.83054 -104.38236 396.31066
6990.0000 -106.64990 -104.30344 2.34646 1.85056 -104.13665 415.04755
6995.0000 -106.41248 -104.13861 2.27387 1.87185 -103.87524 436.71342
7000.0000 -106.50713 -104.11157 2.39556 1.86331 -103.98013 418.75915
FREEZING PROCESS: loop number 29 T-loop= 380.00000000000000
main_MD> interactions number 29 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05831 0.00118 0.82965
force_rgl> df(natom) 1.11452 -0.67991 -0.69156
7005.0000 -106.56802 -104.39110 2.17693 1.84492 -104.20583 404.64600
7010.0000 -106.74831 -104.61385 2.13445 1.81261 -104.60237 366.28557
7015.0000 -107.41945 -105.19750 2.22195 1.76745 -105.15666 368.16843
7020.0000 -107.12888 -105.11291 2.01597 1.76895 -105.13821 363.66179
7025.0000 -107.16231 -104.93433 2.22799 1.76879 -105.14019 361.96053
7030.0000 -106.61251 -104.62074 1.99177 1.77112 -105.11160 368.26048
7035.0000 -106.89023 -104.80612 2.08412 1.78993 -104.88082 382.18836
7040.0000 -106.69297 -104.50050 2.19248 1.82887 -104.40287 408.95226
7045.0000 -107.19228 -104.97631 2.21597 1.81024 -104.63151 410.09563
7050.0000 -107.60255 -105.39989 2.20267 1.77743 -105.03417 370.00467
7055.0000 -107.11617 -105.17316 1.94300 1.76789 -105.15124 359.93753
7060.0000 -106.97718 -105.51714 1.46004 1.74974 -105.37410 346.85736
7065.0000 -107.28850 -105.02188 2.26663 1.77242 -105.09572 367.28443
7070.0000 -107.32950 -105.38885 1.94065 1.76106 -105.23511 352.01517
7075.0000 -106.87996 -105.33276 1.54719 1.74134 -105.47712 337.45148
7080.0000 -106.86669 -105.03723 1.82947 1.76285 -105.21311 358.46922
7085.0000 -106.89690 -104.79723 2.09968 1.79659 -104.79902 385.64053
7090.0000 -106.90206 -104.68627 2.21579 1.81403 -104.58496 412.52877
7095.0000 -107.20834 -105.28621 1.92213 1.76733 -105.15820 363.26911
7100.0000 -107.12076 -104.99111 2.12966 1.78318 -104.96364 370.71759
7105.0000 -107.08958 -104.93137 2.15821 1.79185 -104.85718 386.01504
7110.0000 -106.97239 -104.85242 2.11996 1.79625 -104.80315 387.34712
7115.0000 -106.76080 -104.49912 2.26168 1.81148 -104.61631 409.16911
7120.0000 -107.02433 -104.99955 2.02478 1.79431 -104.82704 391.33042
7125.0000 -107.06045 -105.00659 2.05386 1.81553 -104.56652 402.64102
7130.0000 -107.14951 -105.28649 1.86302 1.79130 -104.86398 384.01062
7135.0000 -107.10554 -105.60287 1.50267 1.74707 -105.40685 334.51758
7140.0000 -106.90069 -104.58668 2.31402 1.78807 -104.90357 384.99435
7145.0000 -106.94539 -104.80372 2.14167 1.78976 -104.88286 380.35587
7150.0000 -107.24208 -105.78601 1.45607 1.76198 -105.22379 347.15983
7155.0000 -106.99151 -104.96101 2.03050 1.76159 -105.22856 351.17763
7160.0000 -106.89962 -104.78680 2.11282 1.79380 -104.83324 385.08684
7165.0000 -106.81525 -104.71730 2.09795 1.79351 -104.83679 385.16406
7170.0000 -107.18117 -105.07624 2.10492 1.78819 -104.90214 385.62556
7175.0000 -107.43586 -105.73505 1.70081 1.73992 -105.49461 334.50136
7180.0000 -107.23711 -104.99585 2.24126 1.73006 -105.61563 322.43834
7185.0000 -107.39987 -105.44318 1.95668 1.77530 -105.06027 374.26267
7190.0000 -107.10643 -105.28733 1.81910 1.75791 -105.27376 351.97989
7195.0000 -107.61422 -105.56238 2.05183 1.74352 -105.45041 335.44027
7200.0000 -106.88661 -105.48436 1.40226 1.73892 -105.50680 329.48625
7205.0000 -107.17630 -105.22946 1.94685 1.74463 -105.43673 341.45218
7210.0000 -106.62223 -104.27676 2.34547 1.82989 -104.39025 431.76899
7215.0000 -106.24549 -104.35848 1.88702 1.80917 -104.64460 402.81880
7220.0000 -107.21110 -104.78251 2.42859 1.78660 -104.92169 369.39766
7225.0000 -107.15691 -105.10118 2.05573 1.74899 -105.38327 345.19822
7230.0000 -106.88888 -104.95108 1.93780 1.77220 -105.09836 372.35299
7235.0000 -107.04121 -104.82632 2.21489 1.78385 -104.95541 365.57172
7240.0000 -107.12781 -104.95986 2.16795 1.80167 -104.73664 383.69040
7245.0000 -107.01370 -105.16089 1.85281 1.76909 -105.13649 362.69742
7250.0000 -107.53261 -105.63495 1.89766 1.76345 -105.20576 355.05357
FREEZING PROCESS: loop number 30 T-loop= 355.00000000000000
main_MD> interactions number 30 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49623 0.75262 -1.63119
force_rgl> df(natom) -0.68830 0.58398 -0.36518
7255.0000 -107.56837 -105.64086 1.92751 1.72928 -105.62523 326.92032
7260.0000 -107.23117 -105.04621 2.18495 1.74269 -105.46060 337.52170
7265.0000 -107.39907 -105.53977 1.85929 1.76000 -105.24813 354.68347
7270.0000 -107.09900 -105.04019 2.05881 1.74766 -105.39956 342.75387
7275.0000 -106.96805 -104.83937 2.12867 1.78008 -105.00163 376.65940
7280.0000 -107.15977 -105.19709 1.96268 1.80717 -104.66919 400.87465
7285.0000 -107.56483 -105.39446 2.17037 1.74609 -105.41888 343.78230
7290.0000 -106.69518 -105.09821 1.59696 1.76830 -105.14622 359.67604
7295.0000 -106.58115 -104.80238 1.77877 1.79278 -104.84577 380.09003
7300.0000 -106.72969 -104.35091 2.37878 1.80673 -104.67456 398.39189
7305.0000 -107.21015 -104.90677 2.30338 1.79082 -104.86978 386.55617
7310.0000 -107.12147 -105.36732 1.75415 1.78249 -104.97209 388.55800
7315.0000 -107.48723 -105.53615 1.95109 1.74137 -105.47676 334.73325
7320.0000 -107.17604 -105.42128 1.75476 1.75705 -105.28435 351.96700
7325.0000 -106.77178 -105.05248 1.71930 1.74680 -105.41018 343.71776
7330.0000 -107.54963 -105.12487 2.42477 1.77642 -105.04662 372.00914
7335.0000 -106.89166 -105.07305 1.81861 1.75423 -105.31893 346.87386
7340.0000 -106.79675 -104.70609 2.09066 1.77512 -105.06252 362.66634
7345.0000 -106.71640 -104.70579 2.01061 1.78626 -104.92575 369.53425
7350.0000 -107.17033 -105.00351 2.16682 1.78644 -104.92358 376.29218
7355.0000 -106.90311 -104.93523 1.96787 1.79818 -104.77950 384.42034
7360.0000 -107.26302 -105.31359 1.94943 1.77524 -105.06111 363.50073
7365.0000 -106.55390 -104.33400 2.21990 1.78965 -104.88421 376.63082
7370.0000 -106.96675 -105.17869 1.78805 1.79577 -104.80902 381.33002
7375.0000 -106.92477 -104.85973 2.06504 1.77681 -105.04175 364.38024
7380.0000 -106.58586 -104.84642 1.73944 1.77790 -105.02845 378.72151
7385.0000 -107.29251 -105.21916 2.07335 1.79976 -104.76005 395.03740
7390.0000 -107.00972 -104.85970 2.15002 1.77548 -105.05809 376.03143
7395.0000 -107.07411 -104.60500 2.46911 1.80629 -104.67993 406.56403
7400.0000 -107.04081 -105.21026 1.83055 1.78971 -104.88350 386.40921
7405.0000 -107.51069 -105.87385 1.63684 1.73881 -105.50814 336.68020
7410.0000 -107.10894 -105.36876 1.74017 1.72713 -105.65156 324.37236
7415.0000 -107.12586 -105.19920 1.92665 1.75628 -105.29372 352.52141
7420.0000 -107.31936 -105.39968 1.91968 1.75266 -105.33819 346.51787
7425.0000 -107.47383 -105.70408 1.76975 1.72432 -105.68600 315.94903
7430.0000 -107.28371 -105.37049 1.91322 1.75257 -105.33933 345.85129
7435.0000 -106.44179 -104.71225 1.72954 1.76266 -105.21545 358.23652
7440.0000 -107.15736 -105.38862 1.76874 1.74684 -105.40961 315.20832
7445.0000 -106.63430 -105.06978 1.56452 1.77404 -105.07583 334.06899
7450.0000 -106.93759 -104.80034 2.13725 1.79111 -104.86627 354.59021
7455.0000 -107.10619 -105.03500 2.07119 1.78334 -104.96164 346.31552
7460.0000 -106.58442 -104.65426 1.93015 1.80844 -104.65358 374.18691
7465.0000 -107.21870 -104.76149 2.45721 1.81714 -104.54685 392.62291
7470.0000 -106.66071 -104.94735 1.71337 1.78811 -104.90315 344.44243
7475.0000 -106.93476 -105.28653 1.64822 1.79356 -104.83616 337.50823
7480.0000 -107.24072 -105.23483 2.00589 1.75240 -105.34136 322.39427
7485.0000 -107.10792 -105.09039 2.01753 1.75866 -105.26452 326.93305
7490.0000 -106.68559 -104.65721 2.02837 1.78825 -104.90144 361.17920
7495.0000 -107.08476 -104.76793 2.31683 1.80249 -104.72660 366.91493
7500.0000 -106.85593 -104.98177 1.87416 1.78880 -104.89463 351.19338
FREEZING PROCESS: loop number 31 T-loop= 330.00000000000000
main_MD> interactions number 31 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.07536 0.87387 1.58646
force_rgl> df(natom) 3.15354 -1.21430 2.40616
7505.0000 -106.40962 -104.98500 1.42462 1.80328 -104.71685 378.30770
7510.0000 -106.92531 -105.37904 1.54627 1.79256 -104.84849 353.41790
7515.0000 -107.00508 -104.86022 2.14486 1.76293 -105.21217 315.17630
7520.0000 -106.98008 -105.19483 1.78525 1.77603 -105.05133 346.51333
7525.0000 -106.91607 -104.98996 1.92611 1.76315 -105.20951 333.49390
7530.0000 -107.17214 -105.65194 1.52020 1.74945 -105.37761 319.00267
7535.0000 -106.66941 -105.12575 1.54365 1.74423 -105.44162 315.12490
7540.0000 -107.15855 -105.45284 1.70572 1.76013 -105.24652 326.74314
7545.0000 -107.42739 -105.81907 1.60832 1.73860 -105.51076 304.58250
7550.0000 -107.09443 -105.28325 1.81118 1.74793 -105.39621 308.52617
7555.0000 -107.13047 -105.18191 1.94856 1.75489 -105.31081 320.76167
7560.0000 -107.78622 -105.33965 2.44657 1.76322 -105.20857 341.25079
7565.0000 -107.27399 -105.33235 1.94164 1.73825 -105.51512 350.84081
7570.0000 -107.53237 -105.51690 2.01548 1.75813 -105.27106 359.34509
7575.0000 -107.45736 -105.45066 2.00670 1.73139 -105.59921 331.86527
7580.0000 -107.32020 -105.57482 1.74539 1.73884 -105.50787 335.66547
7585.0000 -107.54549 -105.67632 1.86917 1.73514 -105.55330 337.20347
7590.0000 -107.62598 -105.66382 1.96216 1.74112 -105.47983 340.57661
7595.0000 -107.01017 -105.41906 1.59111 1.72830 -105.63723 328.53597
7600.0000 -107.74418 -105.93762 1.80656 1.74501 -105.43211 344.03678
7605.0000 -107.06010 -105.20327 1.85683 1.74865 -105.38744 357.03090
7610.0000 -107.57561 -105.22836 2.34724 1.74379 -105.44702 349.50515
7615.0000 -107.40349 -105.53490 1.86860 1.75230 -105.34259 354.83689
7620.0000 -107.74302 -105.92449 1.81853 1.71683 -105.77795 317.57057
7625.0000 -107.82361 -105.86360 1.96001 1.71022 -105.85909 314.67158
7630.0000 -107.57962 -105.48164 2.09798 1.74426 -105.44132 341.18144
7635.0000 -107.62087 -105.73407 1.88680 1.72795 -105.64153 328.21777
7640.0000 -107.18715 -105.36335 1.82381 1.71904 -105.75085 319.36205
7645.0000 -107.43010 -105.83940 1.59070 1.71697 -105.77624 317.48511
7650.0000 -107.42801 -105.69414 1.73388 1.70944 -105.86870 309.92746
7655.0000 -107.55453 -105.86771 1.68682 1.73648 -105.53674 337.67776
7660.0000 -107.77126 -105.57277 2.19849 1.72985 -105.61822 335.78473
7665.0000 -107.52228 -105.84734 1.67495 1.73634 -105.53853 344.14722
7670.0000 -107.74167 -106.14798 1.59369 1.71035 -105.85753 311.31218
7675.0000 -107.53261 -105.84464 1.68797 1.70454 -105.92878 306.06167
7680.0000 -107.43298 -105.53902 1.89396 1.69935 -105.99254 308.56113
7685.0000 -107.20464 -105.44207 1.76257 1.72102 -105.72650 323.54760
7690.0000 -107.52562 -105.25673 2.26889 1.75695 -105.28560 359.15066
7695.0000 -107.25795 -105.47337 1.78458 1.74372 -105.44792 353.96410
7700.0000 -107.28878 -105.63718 1.65160 1.74340 -105.45189 342.00312
7705.0000 -107.65876 -105.67857 1.98019 1.73771 -105.52174 341.33036
7710.0000 -107.29006 -105.35227 1.93780 1.73528 -105.55153 341.66045
7715.0000 -107.67074 -105.72177 1.94897 1.75220 -105.34388 366.16103
7720.0000 -107.36392 -105.59496 1.76896 1.71856 -105.75676 323.28905
7725.0000 -107.61303 -106.13825 1.47478 1.71845 -105.75805 321.32010
7730.0000 -107.86694 -105.91492 1.95202 1.70300 -105.94776 307.03639
7735.0000 -107.72223 -106.09160 1.63063 1.72695 -105.65376 327.88149
7740.0000 -107.56482 -105.77112 1.79369 1.71664 -105.78036 312.45152
7745.0000 -107.69562 -105.88277 1.81285 1.70779 -105.88889 309.19928
7750.0000 -107.09067 -104.96857 2.12210 1.72619 -105.66312 329.42046
FREEZING PROCESS: loop number 32 T-loop= 305.00000000000000
main_MD> interactions number 32 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50409 -1.29315 1.31438
force_rgl> df(natom) 1.48919 -1.83194 0.74149
7755.0000 -107.46839 -105.60719 1.86121 1.74539 -105.42747 349.09433
7760.0000 -107.96881 -106.28088 1.68793 1.70026 -105.98140 298.07143
7765.0000 -107.58031 -105.87462 1.70569 1.70720 -105.89618 307.65154
7770.0000 -107.22783 -105.73219 1.49564 1.70599 -105.91098 308.17260
7775.0000 -107.55866 -105.96899 1.58967 1.70090 -105.97356 302.19851
7780.0000 -107.97035 -106.34048 1.62988 1.66750 -106.38339 267.17152
7785.0000 -107.62630 -106.17362 1.45268 1.66737 -106.38503 265.66990
7790.0000 -107.39010 -105.81790 1.57220 1.70584 -105.91290 304.67744
7795.0000 -107.55185 -106.09485 1.45700 1.71112 -105.84809 315.88900
7800.0000 -107.67508 -106.17231 1.50276 1.70757 -105.89168 307.62816
7805.0000 -107.41131 -105.75688 1.65443 1.70914 -105.87241 306.30241
7810.0000 -107.87986 -105.77723 2.10263 1.71288 -105.82644 314.49714
7815.0000 -107.54791 -105.84677 1.70114 1.71351 -105.81879 318.04630
7820.0000 -108.02606 -105.91913 2.10693 1.71881 -105.75364 320.81344
7825.0000 -107.67378 -106.15511 1.51867 1.69730 -106.01767 298.16886
7830.0000 -107.44916 -105.98678 1.46238 1.68604 -106.15590 290.98732
7835.0000 -107.59992 -106.10567 1.49425 1.68158 -106.21064 283.77487
7840.0000 -107.68720 -106.46758 1.21963 1.68811 -106.13042 291.63283
7845.0000 -108.01304 -106.87069 1.14235 1.66057 -106.46856 259.54649
7850.0000 -107.36074 -105.66562 1.69512 1.66782 -106.37953 266.53085
7855.0000 -107.86264 -106.01246 1.85018 1.70864 -105.87845 308.69467
7860.0000 -107.30974 -105.83936 1.47038 1.69686 -106.02303 296.73552
7865.0000 -107.72270 -106.08890 1.63380 1.71489 -105.80183 310.07479
7870.0000 -107.88554 -106.34742 1.53811 1.67709 -106.26574 279.63204
7875.0000 -107.69692 -106.02353 1.67339 1.69177 -106.08560 294.37305
7880.0000 -107.58273 -105.78371 1.79902 1.70244 -105.95460 306.21080
7885.0000 -107.28028 -105.53840 1.74188 1.72763 -105.64547 329.95977
7890.0000 -107.77134 -106.01280 1.75854 1.72193 -105.71533 321.95399
7895.0000 -107.36783 -105.59967 1.76817 1.72444 -105.68462 331.77236
7900.0000 -107.94673 -106.40942 1.53730 1.70076 -105.97518 304.12288
7905.0000 -107.91740 -105.81042 2.10698 1.69219 -106.08038 290.86893
7910.0000 -107.72607 -106.03678 1.68929 1.71678 -105.77864 316.11341
7915.0000 -107.55520 -105.96766 1.58754 1.70036 -105.98015 297.46587
7920.0000 -108.18026 -106.31792 1.86234 1.69333 -106.06638 297.94781
7925.0000 -107.97193 -106.41589 1.55604 1.66502 -106.41392 273.35982
7930.0000 -107.76663 -106.35519 1.41143 1.67768 -106.25846 276.40168
7935.0000 -107.77727 -106.44697 1.33030 1.67481 -106.29369 276.93945
7940.0000 -107.52678 -105.98570 1.54108 1.68940 -106.11466 289.44378
7945.0000 -107.95173 -106.38900 1.56272 1.66422 -106.42366 262.77491
7950.0000 -107.94790 -106.43848 1.50942 1.67308 -106.31490 274.72734
7955.0000 -107.59370 -105.90040 1.69330 1.70518 -105.92100 308.63295
7960.0000 -107.15478 -105.80489 1.34990 1.70114 -105.97061 300.32635
7965.0000 -107.82193 -106.14505 1.67689 1.69943 -105.99150 302.16638
7970.0000 -107.40855 -105.83917 1.56938 1.72266 -105.70642 323.93760
7975.0000 -107.65174 -106.04872 1.60301 1.71014 -105.86007 309.38071
7980.0000 -107.64980 -105.84154 1.80826 1.70822 -105.88367 308.30775
7985.0000 -107.26704 -105.60654 1.66050 1.71122 -105.84687 310.23385
7990.0000 -107.62422 -105.76010 1.86412 1.70404 -105.93491 305.43218
7995.0000 -107.52004 -105.94504 1.57500 1.70920 -105.87164 310.71102
8000.0000 -107.86687 -106.15929 1.70758 1.70045 -105.97905 300.51315
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 4.1766981 [s].
main_MD> Deallocating global variables
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