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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_76/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_76.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 = 76 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1650
main_MD> Size of nv and nvoiz: 76 7600
main_MD> Size of nv and nvoiz: 76 7600
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 = 76
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14561021823862244 1.4798018232911889E-002 -8.3267307124645876E-002 initial drift of cluster / NP1 for coalescence
init> 0.32306621806382507 0.34843234050822802 0.28222558501790190 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6107208663410106E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36622 1.91441 0.35257
force_rgl> df(natom) -1.02243 -1.80598 0.61229
preparo> THERMALIZATION PROCESS AT 1129.3898324607983
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -164.22686591912347 12.650871168831827 -176.87773708795530 7.0708058740602921E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 33
FREEZING PROCESS: loop number 1 T-loop= 1106.0000000000000
main_MD> interactions number 1 at Temperature= 1106.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24784 0.85153 2.14802
force_rgl> df(natom) -1.81467 3.05370 1.24097
5.0000 -178.98361 -167.24762 11.73599 3.23938 -166.07841 1206.71312
10.0000 -176.74060 -166.29117 10.44943 3.21144 -166.57962 1196.87071
15.0000 -178.78048 -168.17377 10.60672 3.19330 -166.90511 1209.33520
20.0000 -179.32419 -168.63074 10.69345 3.12982 -168.04420 1193.38531
25.0000 -177.97211 -167.03524 10.93687 3.12346 -168.15827 1142.75640
30.0000 -180.73381 -169.76597 10.96784 3.12853 -168.06727 1180.19470
35.0000 -181.36302 -170.41964 10.94338 3.04689 -169.53210 1095.39789
40.0000 -180.99225 -169.73585 11.25640 3.01585 -170.08910 1074.81174
45.0000 -181.64368 -169.76706 11.87663 3.01372 -170.12729 1107.83161
50.0000 -180.52052 -168.76874 11.75178 3.01207 -170.15681 1085.73709
55.0000 -181.71257 -170.52144 11.19113 3.14170 -167.83101 1206.22381
60.0000 -179.85290 -168.39371 11.45918 3.07705 -168.99101 1146.83606
65.0000 -179.65513 -169.53210 10.12303 3.12219 -168.18101 1146.19228
70.0000 -177.44616 -165.57116 11.87499 3.17929 -167.15647 1202.32329
75.0000 -177.04158 -163.37221 13.66937 3.36088 -163.89842 1286.78066
80.0000 -178.15608 -167.28284 10.87324 3.30637 -164.87640 1283.60911
85.0000 -179.38416 -168.10639 11.27777 3.15442 -167.60284 1169.26410
90.0000 -180.50889 -169.66397 10.84492 3.04092 -169.63929 1120.04568
95.0000 -178.74029 -168.38704 10.35325 3.06760 -169.16058 1105.73414
100.0000 -180.16147 -168.94625 11.21522 3.08251 -168.89297 1128.58429
105.0000 -179.96273 -169.39224 10.57049 3.06026 -169.29221 1099.69870
110.0000 -179.02989 -167.29710 11.73279 3.07737 -168.98523 1087.85679
115.0000 -177.75375 -164.51845 13.23530 3.27699 -165.40362 1275.38291
120.0000 -178.13293 -166.36486 11.76807 3.27812 -165.38332 1251.74514
125.0000 -178.30218 -167.76894 10.53324 3.16830 -167.35371 1203.84740
130.0000 -179.57581 -168.96082 10.61499 3.12688 -168.09689 1156.22732
135.0000 -179.95845 -170.44359 9.51485 3.00906 -170.21082 1101.39791
140.0000 -180.99819 -170.44586 10.55234 2.98181 -170.69971 1060.52543
145.0000 -180.95391 -170.06707 10.88683 3.01091 -170.17774 1107.81754
150.0000 -180.24743 -170.81254 9.43489 3.03944 -169.66572 1112.03891
155.0000 -179.15216 -169.14881 10.00335 3.08165 -168.90847 1146.93245
160.0000 -181.47421 -170.77539 10.69882 2.96858 -170.93711 1053.93118
165.0000 -179.74818 -169.67191 10.07627 2.95681 -171.14836 1066.51091
170.0000 -180.20695 -169.24492 10.96203 3.07526 -169.02314 1148.69347
175.0000 -181.00336 -169.88474 11.11862 3.09542 -168.66134 1154.96431
180.0000 -180.62086 -169.87962 10.74124 2.98400 -170.66040 1085.74353
185.0000 -181.02031 -171.37634 9.64398 3.05731 -169.34515 1104.86213
190.0000 -182.17344 -170.40942 11.76402 2.95098 -171.25291 1034.93331
195.0000 -181.43033 -169.20852 12.22181 3.05047 -169.46781 1122.17634
200.0000 -179.33510 -169.39044 9.94466 3.02887 -169.85549 1128.89258
205.0000 -178.59515 -166.16387 12.43127 3.16674 -167.38170 1181.14094
210.0000 -180.46758 -168.19645 12.27113 3.17723 -167.19350 1200.44280
215.0000 -182.20222 -171.75048 10.45174 3.03256 -169.78915 1103.36133
220.0000 -182.29734 -173.12297 9.17437 2.87904 -172.54368 1017.66775
225.0000 -181.97184 -171.24220 10.72965 2.89227 -172.30624 1045.58738
230.0000 -179.50531 -167.85542 11.64990 3.02594 -169.90804 1097.77436
235.0000 -183.13527 -170.88238 12.25289 3.04850 -169.50314 1104.06488
240.0000 -182.33660 -171.41903 10.91758 2.94634 -171.33623 1046.32322
245.0000 -181.33919 -167.86831 13.47088 3.03262 -169.78819 1113.63635
250.0000 -181.31862 -170.84043 10.47818 3.09530 -168.66345 1142.53257
FREEZING PROCESS: loop number 2 T-loop= 1081.0000000000000
main_MD> interactions number 2 at Temperature= 1081.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.59468 0.28680 -0.39683
force_rgl> df(natom) -0.46230 -4.26364 1.50832
255.0000 -181.71380 -169.92920 11.78460 2.97553 -170.81240 1046.76099
260.0000 -183.07512 -172.39860 10.67652 2.95610 -171.16100 1063.45660
265.0000 -180.75657 -171.16721 9.58936 2.98735 -170.60043 1089.98347
270.0000 -181.42955 -171.37204 10.05751 2.96771 -170.95268 1074.52647
275.0000 -182.55824 -173.70319 8.85505 2.83162 -173.39456 979.26543
280.0000 -180.75373 -171.96662 8.78711 2.81668 -173.66261 980.58053
285.0000 -179.37852 -169.73621 9.64231 2.93831 -171.48028 1007.99347
290.0000 -178.65002 -167.02638 11.62365 3.12804 -168.07602 1176.04292
295.0000 -179.93520 -168.11069 11.82451 3.18619 -167.03277 1214.00863
300.0000 -179.04005 -168.43374 10.60631 3.09345 -168.69676 1133.48025
305.0000 -179.86609 -169.66740 10.19869 3.08739 -168.80547 1158.73270
310.0000 -180.35791 -170.42477 9.93314 3.02062 -170.00339 1100.42135
315.0000 -182.72053 -171.04543 11.67510 3.00584 -170.26864 1101.54933
320.0000 -180.89407 -170.86799 10.02608 2.96656 -170.97330 1076.44182
325.0000 -180.61971 -169.69884 10.92088 3.00445 -170.29355 1103.70558
330.0000 -179.63521 -168.02727 11.60794 3.06097 -169.27942 1137.82785
335.0000 -180.18053 -167.90117 12.27936 3.18912 -166.98023 1210.62005
340.0000 -179.46292 -169.58919 9.87373 3.08413 -168.86399 1129.19611
345.0000 -181.58272 -170.88536 10.69737 3.01137 -170.16948 1091.61976
350.0000 -181.34496 -172.58173 8.76323 2.95499 -171.18104 1047.64431
355.0000 -182.11535 -171.93896 10.17639 2.90720 -172.03849 1038.85844
360.0000 -180.48945 -168.25957 12.22988 3.04487 -169.56838 1120.30583
365.0000 -180.80269 -169.82578 10.97691 3.08225 -168.89763 1124.38174
370.0000 -178.30748 -168.20999 10.09749 3.14610 -167.75206 1175.17651
375.0000 -179.52327 -169.28755 10.23571 3.04484 -169.56883 1095.06736
380.0000 -178.51117 -167.87343 10.63774 3.06105 -169.27810 1095.51891
385.0000 -181.37266 -170.52677 10.84589 3.00871 -170.21705 1081.40376
390.0000 -183.47178 -172.98877 10.48301 2.90421 -172.09208 1025.15538
395.0000 -181.57860 -169.64673 11.93188 2.91237 -171.94570 1047.62571
400.0000 -180.50207 -168.89790 11.60417 3.02409 -169.94111 1112.50048
405.0000 -179.47141 -169.27550 10.19591 3.04288 -169.60404 1121.72843
410.0000 -180.39149 -168.42996 11.96153 3.04507 -169.56479 1072.96797
415.0000 -182.51773 -173.30535 9.21238 2.97260 -170.86504 1078.02360
420.0000 -183.24756 -171.68305 11.56451 2.86108 -172.86588 997.97203
425.0000 -182.11793 -172.06169 10.05624 2.91034 -171.98204 1031.27805
430.0000 -181.13589 -172.10292 9.03297 2.90543 -172.07010 1023.60893
435.0000 -181.48858 -170.81894 10.66964 2.98282 -170.68159 1079.60653
440.0000 -182.24191 -170.74316 11.49874 3.03856 -169.68150 1112.56016
445.0000 -180.82270 -171.15456 9.66814 2.96980 -170.91533 1051.97312
450.0000 -183.34822 -173.10084 10.24738 2.88538 -172.42993 1014.77720
455.0000 -181.28712 -171.54168 9.74544 2.92948 -171.63861 1031.03890
460.0000 -181.05925 -170.32473 10.73452 2.96950 -170.92060 1045.91404
465.0000 -179.02620 -168.33742 10.68878 3.03023 -169.83093 1098.42990
470.0000 -180.35288 -169.94799 10.40489 3.05041 -169.46892 1142.40109
475.0000 -181.66170 -168.20291 13.45879 3.06759 -169.16070 1119.43666
480.0000 -180.62234 -168.24480 12.37755 3.14908 -167.69852 1172.25327
485.0000 -181.46277 -169.88454 11.57823 3.05209 -169.43874 1124.11904
490.0000 -179.85196 -169.72844 10.12351 3.03653 -169.71797 1090.27294
495.0000 -182.78533 -171.57695 11.20838 2.98234 -170.69025 1055.72131
500.0000 -180.78656 -168.14323 12.64332 3.03935 -169.66731 1084.83104
FREEZING PROCESS: loop number 3 T-loop= 1056.0000000000000
main_MD> interactions number 3 at Temperature= 1056.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74570 0.35790 -0.16874
force_rgl> df(natom) -0.37634 -1.91535 3.15320
505.0000 -181.84610 -169.90090 11.94520 3.02566 -169.91291 1095.98576
510.0000 -180.82858 -170.82666 10.00192 2.98978 -170.55685 1060.83036
515.0000 -182.76609 -172.25102 10.51508 2.93404 -171.55687 1072.73255
520.0000 -184.69489 -173.46593 11.22896 2.82576 -173.49971 993.04485
525.0000 -183.54503 -173.56622 9.97881 2.82997 -173.42407 976.21157
530.0000 -182.69056 -172.26287 10.42769 2.85451 -172.98379 991.67023
535.0000 -182.68831 -173.54466 9.14365 2.80837 -173.81169 955.05963
540.0000 -181.50323 -171.36521 10.13801 2.94161 -171.42108 1040.47259
545.0000 -181.32264 -171.27234 10.05031 2.96561 -170.99037 1050.63710
550.0000 -181.37736 -170.05465 11.32270 3.00121 -170.35169 1074.73839
555.0000 -180.44535 -169.58512 10.86023 3.05489 -169.38851 1108.15019
560.0000 -180.32298 -169.04881 11.27417 3.02653 -169.89740 1088.53855
565.0000 -181.53472 -171.66209 9.87263 2.93608 -171.52029 1052.59863
570.0000 -180.55877 -171.56201 8.99676 2.91740 -171.85548 1019.45010
575.0000 -183.26149 -174.10245 9.15905 2.88002 -172.52612 1019.99806
580.0000 -182.84248 -173.02588 9.81661 2.84872 -173.08774 964.25178
585.0000 -181.15699 -171.47286 9.68413 2.84147 -173.21778 992.46438
590.0000 -181.19861 -170.63114 10.56748 2.97539 -170.81495 1058.27700
595.0000 -180.07398 -168.58978 11.48419 3.00616 -170.26280 1118.72064
600.0000 -179.59412 -167.94508 11.64904 3.08452 -168.85688 1121.97003
605.0000 -182.60020 -169.75910 12.84109 3.05466 -169.39274 1165.02005
610.0000 -181.02583 -170.65464 10.37120 2.94500 -171.36019 1061.81185
615.0000 -181.54591 -170.80202 10.74389 2.97914 -170.74758 1063.94166
620.0000 -182.18632 -172.37282 9.81350 2.93884 -171.47069 1074.45031
625.0000 -180.94878 -170.03786 10.91092 2.94458 -171.36776 1053.32447
630.0000 -181.01586 -169.97734 11.03852 2.99120 -170.53127 1082.23661
635.0000 -181.80545 -169.09551 12.70994 2.98226 -170.69178 1092.73854
640.0000 -180.16399 -169.55054 10.61345 3.06228 -169.25591 1110.55413
645.0000 -180.43128 -169.52461 10.90667 3.02368 -169.94849 1126.05527
650.0000 -180.57961 -169.47931 11.10030 3.07552 -169.01843 1135.52987
655.0000 -181.35616 -172.05502 9.30114 2.97414 -170.83745 1057.97170
660.0000 -182.65631 -173.40800 9.24831 2.87041 -172.69855 1015.82874
665.0000 -182.01561 -172.13953 9.87608 2.87625 -172.59376 1002.59033
670.0000 -181.07291 -171.54881 9.52409 2.96831 -170.94191 1080.74614
675.0000 -179.79598 -169.49263 10.30335 2.97328 -170.85289 1086.75063
680.0000 -180.96028 -170.75621 10.20407 2.99717 -170.42415 1088.95751
685.0000 -180.73064 -169.66796 11.06268 3.00207 -170.33632 1088.34117
690.0000 -182.40483 -170.68119 11.72364 2.91628 -171.87559 1038.80165
695.0000 -182.74905 -171.71163 11.03742 2.90626 -172.05535 1000.56303
700.0000 -183.56228 -172.89404 10.66823 2.85379 -172.99676 998.45139
705.0000 -180.07354 -171.16369 8.90985 2.92637 -171.69448 1033.77159
710.0000 -184.22395 -175.05530 9.16866 2.87817 -172.55933 1009.54880
715.0000 -183.01516 -172.52848 10.48668 2.81601 -173.67454 942.75030
720.0000 -182.12532 -170.61021 11.51510 2.87928 -172.53945 1021.34275
725.0000 -181.02595 -170.70813 10.31782 3.01370 -170.12750 1099.35169
730.0000 -180.43950 -169.64501 10.79448 2.98918 -170.56750 1071.71263
735.0000 -182.16954 -170.14922 12.02032 2.96892 -170.93107 1066.64113
740.0000 -179.33300 -170.49671 8.83629 3.05234 -169.43432 1119.25477
745.0000 -180.81555 -170.41186 10.40370 2.97557 -170.81177 1062.62042
750.0000 -180.90449 -171.11366 9.79083 2.95052 -171.26111 1049.39114
FREEZING PROCESS: loop number 4 T-loop= 1031.0000000000000
main_MD> interactions number 4 at Temperature= 1031.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 7.50612 0.69741 -2.50441
force_rgl> df(natom) -2.66027 3.38462 2.14185
755.0000 -182.65337 -171.73259 10.92078 2.92815 -171.66253 1055.44800
760.0000 -183.65818 -172.75528 10.90290 2.88181 -172.49393 1021.06584
765.0000 -179.58195 -168.84698 10.73496 2.90754 -172.03241 1041.61236
770.0000 -180.64366 -171.52988 9.11378 2.98164 -170.70289 1068.45308
775.0000 -181.29363 -172.31335 8.98028 2.85453 -172.98351 989.72505
780.0000 -184.08864 -173.84552 10.24312 2.88128 -172.50346 1024.79014
785.0000 -181.43942 -171.22684 10.21258 2.87729 -172.57503 965.41288
790.0000 -179.45488 -169.99640 9.45848 3.03178 -169.80322 1086.70474
795.0000 -179.90966 -168.70576 11.20390 3.07822 -168.96992 1153.82445
800.0000 -182.32768 -170.69775 11.62994 3.06133 -169.27292 1160.50618
805.0000 -181.73440 -170.86205 10.87236 2.95686 -171.14735 1067.32389
810.0000 -182.89822 -173.09162 9.80660 2.90914 -172.00367 1018.83550
815.0000 -183.25903 -174.13329 9.12574 2.84934 -173.07649 988.10916
820.0000 -183.95232 -174.34291 9.60941 2.75197 -174.82354 930.06718
825.0000 -181.06168 -170.64811 10.41357 2.88539 -172.42975 1024.93182
830.0000 -182.66115 -172.35337 10.30778 2.91766 -171.85081 1021.15359
835.0000 -181.24552 -171.89924 9.34628 2.89871 -172.19077 1024.11573
840.0000 -182.98492 -173.47838 9.50655 2.85842 -172.91369 995.98415
845.0000 -183.22845 -173.13709 10.09136 2.81176 -173.75078 966.66097
850.0000 -181.19862 -172.44109 8.75753 2.88031 -172.52091 1016.28545
855.0000 -182.89352 -174.17072 8.72280 2.82598 -173.49570 1000.74519
860.0000 -182.97416 -172.30170 10.67246 2.85266 -173.01707 978.66622
865.0000 -181.97037 -172.11259 9.85777 2.91452 -171.90717 1051.01582
870.0000 -180.69077 -171.53245 9.15833 2.91550 -171.88958 1044.84735
875.0000 -179.74017 -167.34381 12.39636 3.04753 -169.52066 1102.36823
880.0000 -180.03759 -168.33890 11.69869 3.14316 -167.80479 1152.11680
885.0000 -182.14774 -171.98154 10.16620 2.96766 -170.95359 1068.80141
890.0000 -182.11550 -172.22320 9.89230 2.92924 -171.64293 1030.21375
895.0000 -180.62090 -169.79214 10.82876 2.92129 -171.78561 990.80664
900.0000 -181.42978 -170.10708 11.32270 3.05472 -169.39154 1140.22170
905.0000 -182.60836 -171.22156 11.38680 2.94155 -171.42209 1016.92645
910.0000 -182.80822 -173.22973 9.57849 2.90394 -172.09684 1016.47331
915.0000 -183.68035 -174.16124 9.51911 2.74005 -175.03746 925.39015
920.0000 -182.29405 -170.68158 11.61247 2.86060 -172.87455 992.63393
925.0000 -180.20983 -169.28116 10.92868 3.01902 -170.03220 1055.38355
930.0000 -181.73939 -171.25392 10.48548 3.01646 -170.07799 1094.34538
935.0000 -183.14483 -172.79257 10.35225 2.90562 -172.06683 1012.47093
940.0000 -181.66379 -172.37469 9.28910 2.83149 -173.39688 949.12897
945.0000 -182.81554 -173.18428 9.63126 2.82154 -173.57542 1001.54290
950.0000 -183.83454 -174.84934 8.98520 2.85793 -172.92247 1004.57714
955.0000 -181.66464 -173.13724 8.52740 2.89648 -172.23083 1031.73679
960.0000 -183.10861 -173.90690 9.20171 2.84875 -173.08713 987.02397
965.0000 -183.72894 -172.72947 10.99947 2.77607 -174.39116 916.07507
970.0000 -182.31338 -172.61032 9.70307 2.88171 -172.49584 1022.28161
975.0000 -182.29176 -172.02239 10.26937 2.86686 -172.76217 1013.37942
980.0000 -180.04388 -170.79975 9.24414 2.93667 -171.50969 1042.11660
985.0000 -182.85631 -173.24112 9.61519 2.90964 -171.99472 1024.73327
990.0000 -182.15078 -172.06417 10.08661 2.83511 -173.33195 983.03463
995.0000 -182.44809 -172.26399 10.18410 2.90739 -172.03495 1013.59627
1000.0000 -182.22359 -171.95545 10.26814 2.88989 -172.34901 981.96655
FREEZING PROCESS: loop number 5 T-loop= 1006.0000000000000
main_MD> interactions number 5 at Temperature= 1006.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67638 -2.81362 -1.61086
force_rgl> df(natom) 1.23725 -3.69042 -5.74593
1005.0000 -180.84390 -170.36506 10.47883 2.93326 -171.57084 1042.17635
1010.0000 -180.87061 -170.88068 9.98994 2.92192 -171.77437 1032.31813
1015.0000 -182.76429 -172.25687 10.50742 3.00225 -170.33297 1096.02938
1020.0000 -183.87692 -173.73260 10.14432 2.82930 -173.43609 980.08783
1025.0000 -182.88826 -170.48459 12.40368 2.87527 -172.61124 1006.89823
1030.0000 -182.53968 -171.54785 10.99183 3.00670 -170.25312 1088.51743
1035.0000 -182.20831 -172.40818 9.80013 2.88390 -172.45650 975.82025
1040.0000 -182.88028 -171.76940 11.11088 2.89541 -172.25000 1034.24428
1045.0000 -182.93301 -171.72952 11.20349 2.97391 -170.84146 1064.40603
1050.0000 -183.58008 -170.99544 12.58464 2.93936 -171.46139 1068.76766
1055.0000 -183.32077 -173.39692 9.92384 2.93734 -171.49763 1031.50053
1060.0000 -180.54205 -170.28376 10.25828 2.92108 -171.78947 1013.96264
1065.0000 -182.71082 -171.81801 10.89280 2.89491 -172.25893 1025.08152
1070.0000 -179.14879 -169.56121 9.58757 2.94077 -171.43613 1036.99987
1075.0000 -182.11833 -169.08368 13.03464 3.07635 -169.00347 1096.84113
1080.0000 -181.55629 -171.77796 9.77832 3.01507 -170.10308 1105.51248
1085.0000 -181.15486 -170.72934 10.42552 2.93199 -171.59370 1018.86932
1090.0000 -181.14570 -170.60466 10.54104 3.00780 -170.23344 1109.12814
1095.0000 -180.89832 -171.64317 9.25515 2.95855 -171.11709 1060.27985
1100.0000 -183.51492 -174.50657 9.00835 2.84494 -173.15557 976.83264
1105.0000 -184.60437 -175.39587 9.20850 2.73860 -175.06356 926.25062
1110.0000 -182.90167 -173.19886 9.70281 2.81445 -173.70264 983.35947
1115.0000 -182.92142 -171.56937 11.35206 2.84911 -173.08078 1011.49383
1120.0000 -182.85249 -173.31962 9.53287 2.87692 -172.58168 1008.99851
1125.0000 -181.20710 -173.00340 8.20370 2.82635 -173.48909 961.96203
1130.0000 -180.79270 -171.36260 9.43010 2.89557 -172.24714 996.95422
1135.0000 -183.40289 -173.42377 9.97912 2.88973 -172.35195 1024.10323
1140.0000 -181.86220 -171.65406 10.20815 2.87814 -172.55976 992.39296
1145.0000 -182.02132 -172.59403 9.42730 2.93017 -171.62630 1006.85989
1150.0000 -184.26135 -174.76221 9.49914 2.84269 -173.19588 991.37989
1155.0000 -181.28409 -172.38711 8.89699 2.82904 -173.44082 978.13843
1160.0000 -181.69323 -173.90424 7.78899 2.82945 -173.43345 958.90591
1165.0000 -181.46214 -170.55111 10.91104 2.89665 -172.22772 994.35617
1170.0000 -184.06013 -173.77433 10.28580 2.94426 -171.37355 1036.48894
1175.0000 -181.61210 -173.21799 8.39411 2.84606 -173.13545 1002.37125
1180.0000 -182.18765 -172.12880 10.05885 2.89013 -172.34471 1008.73538
1185.0000 -181.78680 -172.29516 9.49164 2.95655 -171.15301 1007.99986
1190.0000 -182.38648 -172.71436 9.67212 2.82544 -173.50535 977.29744
1195.0000 -182.81582 -174.02207 8.79374 2.85029 -173.05958 999.47882
1200.0000 -185.02502 -176.38245 8.64257 2.75874 -174.70204 921.91989
1205.0000 -184.06638 -175.69854 8.36783 2.75020 -174.85530 926.08069
1210.0000 -182.35265 -172.00030 10.35235 2.82865 -173.44785 979.38206
1215.0000 -183.19414 -173.05121 10.14293 2.87524 -172.61189 967.87901
1220.0000 -179.95980 -171.47613 8.48367 2.89958 -172.17507 1021.92431
1225.0000 -183.23786 -173.51513 9.72273 2.88893 -172.36626 1008.44045
1230.0000 -184.28049 -174.46988 9.81061 2.86395 -172.81444 997.59100
1235.0000 -182.96997 -173.55930 9.41067 2.78518 -174.22769 953.47323
1240.0000 -183.94155 -174.75503 9.18652 2.77388 -174.43050 918.75466
1245.0000 -183.06949 -172.52733 10.54216 2.81916 -173.61802 963.95305
1250.0000 -181.46391 -171.97358 9.49034 2.93088 -171.61358 1050.98177
FREEZING PROCESS: loop number 6 T-loop= 981.00000000000000
main_MD> interactions number 6 at Temperature= 981.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.73529 0.32594 0.78516
force_rgl> df(natom) 7.78311 -0.97395 -5.42794
1255.0000 -183.50293 -174.99379 8.50913 2.76642 -174.56435 927.40587
1260.0000 -183.59095 -174.05021 9.54074 2.80581 -173.85760 963.11999
1265.0000 -183.82149 -174.71951 9.10198 2.78132 -174.29706 935.10168
1270.0000 -183.01859 -173.92401 9.09458 2.79437 -174.06277 935.87389
1275.0000 -183.68927 -174.66652 9.02275 2.75501 -174.76904 947.78751
1280.0000 -182.17798 -173.71101 8.46696 2.85764 -172.92762 987.25353
1285.0000 -179.59033 -170.77126 8.81907 2.92417 -171.73401 1022.46236
1290.0000 -181.22641 -172.73557 8.49083 2.91580 -171.88411 1032.81724
1295.0000 -182.61751 -173.81566 8.80185 2.75065 -174.84721 918.47165
1300.0000 -183.16393 -171.57804 11.58589 2.86447 -172.80514 1001.74920
1305.0000 -183.12296 -173.07996 10.04300 2.90507 -172.07657 1011.22798
1310.0000 -183.35906 -173.06792 10.29114 2.83425 -173.34736 975.09091
1315.0000 -182.34891 -172.66522 9.68369 2.81561 -173.68174 986.32104
1320.0000 -183.14990 -174.06747 9.08242 2.87001 -172.70577 1030.08254
1325.0000 -180.67581 -171.19983 9.47597 2.83551 -173.32476 961.75939
1330.0000 -181.47245 -172.48914 8.98331 2.93982 -171.45319 1015.46782
1335.0000 -183.15596 -171.66504 11.49092 2.86182 -172.85263 997.08773
1340.0000 -184.38751 -173.28473 11.10278 2.87766 -172.56839 1020.06693
1345.0000 -181.38794 -172.83828 8.54965 2.81739 -173.64980 996.97557
1350.0000 -182.19259 -171.34809 10.84450 2.85847 -172.91272 999.78020
1355.0000 -182.65027 -172.64226 10.00801 2.86711 -172.75776 1028.66901
1360.0000 -184.87309 -175.17091 9.70218 2.76961 -174.50708 924.76007
1365.0000 -184.39799 -175.15719 9.24081 2.73100 -175.19984 909.93401
1370.0000 -183.30244 -173.51761 9.78483 2.76381 -174.61121 933.11263
1375.0000 -181.63580 -173.11433 8.52146 2.86919 -172.72043 1034.33866
1380.0000 -184.98276 -175.38953 9.59322 2.80503 -173.87163 964.23047
1385.0000 -183.83935 -175.27818 8.56117 2.71397 -175.50548 876.44978
1390.0000 -182.03821 -171.86661 10.17160 2.82872 -173.44646 971.63681
1395.0000 -183.01889 -172.06025 10.95863 2.92787 -171.66749 1045.13789
1400.0000 -181.62616 -170.52701 11.09915 2.88927 -172.36016 1010.77557
1405.0000 -182.76389 -172.82282 9.94107 2.89361 -172.28219 1032.49882
1410.0000 -183.48566 -173.60002 9.88564 2.83079 -173.40938 969.48521
1415.0000 -181.74240 -171.39081 10.35159 2.91128 -171.96527 1011.88968
1420.0000 -179.90603 -169.77850 10.12753 2.99904 -170.39061 1081.29941
1425.0000 -181.21643 -171.82912 9.38731 3.01960 -170.02166 1077.80537
1430.0000 -183.39451 -172.95729 10.43722 2.91827 -171.83977 1027.68501
1435.0000 -182.30892 -173.59155 8.71737 2.84860 -173.08977 983.60250
1440.0000 -181.55813 -169.97797 11.58016 2.93747 -171.49540 1031.77941
1445.0000 -182.06342 -172.02396 10.03946 2.97844 -170.76020 1085.23399
1450.0000 -181.36603 -171.75382 9.61221 2.90875 -172.01063 1003.99466
1455.0000 -181.41653 -169.71657 11.69997 2.97738 -170.77929 1071.21995
1460.0000 -183.39251 -173.99014 9.40237 2.87049 -172.69714 975.53641
1465.0000 -182.21355 -174.92389 7.28966 2.75795 -174.71629 908.04855
1470.0000 -183.47063 -174.23916 9.23147 2.78511 -174.22893 958.85855
1475.0000 -182.01882 -173.81997 8.19885 2.76821 -174.53229 932.28195
1480.0000 -184.78377 -175.41440 9.36937 2.78385 -174.25165 915.19562
1485.0000 -182.90717 -175.32289 7.58429 2.76358 -174.61528 943.08025
1490.0000 -184.33675 -174.60059 9.73617 2.72822 -175.24971 910.93952
1495.0000 -183.80752 -172.70985 11.09767 2.79935 -173.97342 979.28250
1500.0000 -182.43764 -174.50560 7.93204 2.82425 -173.52668 970.04900
FREEZING PROCESS: loop number 7 T-loop= 956.00000000000000
main_MD> interactions number 7 at Temperature= 956.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72941 -0.46956 -0.03970
force_rgl> df(natom) -0.48150 -5.10111 2.91820
1505.0000 -180.77080 -172.42955 8.34125 2.84349 -173.18154 966.01461
1510.0000 -184.14740 -174.58975 9.55765 2.81342 -173.72114 970.76889
1515.0000 -184.08670 -174.88702 9.19968 2.73153 -175.19035 891.72936
1520.0000 -183.31855 -175.23366 8.08489 2.72534 -175.30141 888.91918
1525.0000 -184.20755 -174.68562 9.52193 2.68010 -176.11316 891.11112
1530.0000 -184.96860 -175.24566 9.72293 2.77510 -174.40856 926.17628
1535.0000 -184.62680 -176.29249 8.33431 2.70227 -175.71538 890.24843
1540.0000 -186.13338 -178.07930 8.05407 2.66597 -176.36657 842.26252
1545.0000 -184.99232 -177.46672 7.52560 2.57620 -177.97736 811.15695
1550.0000 -183.51679 -173.88259 9.63420 2.66106 -176.45464 865.14061
1555.0000 -183.78412 -174.16983 9.61429 2.78812 -174.17497 940.54322
1560.0000 -181.34302 -172.34571 8.99732 2.83035 -173.41725 958.36812
1565.0000 -182.02187 -172.83590 9.18597 2.90538 -172.07114 1000.38807
1570.0000 -181.50266 -171.11813 10.38453 2.93993 -171.45124 1021.40797
1575.0000 -180.27466 -172.79367 7.48100 2.87668 -172.58602 1010.27267
1580.0000 -181.74985 -173.80419 7.94566 2.85998 -172.88568 965.10146
1585.0000 -183.06063 -172.28727 10.77336 2.88311 -172.47072 990.80089
1590.0000 -182.57772 -172.53180 10.04591 2.88285 -172.47532 1024.15401
1595.0000 -184.79531 -174.45333 10.34198 2.82310 -173.54740 966.64435
1600.0000 -182.98235 -174.10687 8.87548 2.79164 -174.11176 917.44337
1605.0000 -185.10683 -176.12865 8.97818 2.73813 -175.07186 899.94669
1610.0000 -183.92599 -174.27984 9.64615 2.75071 -174.84628 916.23166
1615.0000 -183.72077 -175.22323 8.49753 2.74871 -174.88202 929.51331
1620.0000 -183.98526 -175.06670 8.91856 2.74226 -174.99783 927.81017
1625.0000 -183.95953 -174.90268 9.05685 2.79364 -174.07601 940.48424
1630.0000 -184.21860 -175.60673 8.61188 2.75181 -174.82647 914.75343
1635.0000 -183.46908 -173.01877 10.45031 2.83834 -173.27399 965.76934
1640.0000 -184.33026 -176.68020 7.65007 2.79247 -174.09699 940.41270
1645.0000 -184.08985 -175.68991 8.39994 2.73110 -175.19798 926.33048
1650.0000 -184.70699 -175.98011 8.72688 2.71027 -175.57179 913.42513
1655.0000 -184.88371 -176.36886 8.51485 2.66198 -176.43819 878.93402
1660.0000 -182.93352 -173.63558 9.29794 2.75606 -174.75020 908.31006
1665.0000 -184.72428 -175.69364 9.03064 2.73120 -175.19618 927.48281
1670.0000 -184.03532 -174.84820 9.18711 2.72673 -175.27655 900.44771
1675.0000 -182.17262 -172.28205 9.89058 2.77378 -174.43227 924.77846
1680.0000 -182.76537 -173.44026 9.32511 2.86825 -172.73723 1002.07530
1685.0000 -182.83831 -173.41567 9.42264 2.79069 -174.12882 976.86566
1690.0000 -183.86996 -174.45712 9.41284 2.77657 -174.38229 964.45356
1695.0000 -184.01248 -175.46707 8.54541 2.77271 -174.45153 951.43362
1700.0000 -183.53809 -174.71252 8.82558 2.76994 -174.50116 939.10398
1705.0000 -183.93451 -175.06922 8.86530 2.76356 -174.61566 940.15097
1710.0000 -183.39211 -174.02399 9.36812 2.79094 -174.12447 937.62292
1715.0000 -183.28180 -173.98335 9.29845 2.79312 -174.08525 935.06330
1720.0000 -182.55652 -174.14242 8.41410 2.76002 -174.67913 923.42937
1725.0000 -182.90500 -171.82799 11.07701 2.84607 -173.13522 975.83677
1730.0000 -183.49360 -173.39008 10.10352 2.86258 -172.83895 982.52659
1735.0000 -182.27119 -173.08910 9.18209 2.81244 -173.73867 956.58578
1740.0000 -181.63463 -172.86672 8.76792 2.90134 -172.14363 1024.42165
1745.0000 -182.40938 -172.30522 10.10416 2.89871 -172.19069 1016.56656
1750.0000 -184.55500 -175.31058 9.24442 2.80410 -173.88828 956.44825
FREEZING PROCESS: loop number 8 T-loop= 931.00000000000000
main_MD> interactions number 8 at Temperature= 931.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.94008 0.27006 5.46513
force_rgl> df(natom) -1.24121 1.95277 1.91900
1755.0000 -185.37482 -176.23433 9.14048 2.72141 -175.37193 913.93896
1760.0000 -184.78876 -176.10708 8.68168 2.69428 -175.85875 887.11330
1765.0000 -184.38043 -175.79562 8.58481 2.68908 -175.95202 891.46138
1770.0000 -183.43414 -174.79535 8.63880 2.76085 -174.66428 927.55287
1775.0000 -184.53362 -175.33333 9.20029 2.83082 -173.40894 973.17356
1780.0000 -183.44574 -174.97367 8.47207 2.73938 -175.04949 941.40628
1785.0000 -184.03217 -176.10656 7.92561 2.77251 -174.45510 938.67507
1790.0000 -184.10860 -173.24644 10.86216 2.74283 -174.98757 912.08222
1795.0000 -183.47643 -173.32289 10.15354 2.83903 -173.26148 959.01162
1800.0000 -184.30240 -173.53839 10.76400 2.76763 -174.54263 925.10493
1805.0000 -183.05087 -173.59649 9.45438 2.87747 -172.57179 1002.81733
1810.0000 -184.52049 -175.04343 9.47706 2.78466 -174.23710 945.37476
1815.0000 -184.16093 -176.71509 7.44584 2.67925 -176.12842 845.07306
1820.0000 -184.46413 -174.34508 10.11904 2.71568 -175.47465 902.28753
1825.0000 -184.72922 -176.35569 8.37353 2.71238 -175.53393 900.40641
1830.0000 -182.00378 -174.79844 7.20533 2.72103 -175.37873 902.35523
1835.0000 -184.97427 -175.48921 9.48506 2.72065 -175.38559 897.08703
1840.0000 -185.13457 -176.52879 8.60578 2.68086 -176.09950 858.70318
1845.0000 -183.48886 -174.08328 9.40558 2.73726 -175.08748 918.11132
1850.0000 -185.00516 -176.34893 8.65622 2.75810 -174.71360 926.74205
1855.0000 -183.18035 -174.59173 8.58862 2.75639 -174.74423 901.29298
1860.0000 -184.88517 -177.01282 7.87236 2.73995 -175.03929 923.41359
1865.0000 -185.99600 -177.64085 8.35515 2.62785 -177.05053 814.32208
1870.0000 -184.91902 -176.34159 8.57743 2.67053 -176.28475 894.02413
1875.0000 -183.41589 -175.31948 8.09640 2.74029 -175.03325 924.67818
1880.0000 -181.25336 -171.60129 9.65207 2.82207 -173.56587 960.16434
1885.0000 -183.70314 -171.41570 12.28744 2.93498 -171.53998 1024.54181
1890.0000 -183.00906 -174.57726 8.43180 2.83341 -173.36241 970.70246
1895.0000 -184.05648 -173.25774 10.79874 2.79244 -174.09744 947.30014
1900.0000 -181.53891 -172.29208 9.24683 2.86824 -172.73740 1026.45528
1905.0000 -182.71488 -174.28818 8.42671 2.81842 -173.63126 977.19652
1910.0000 -181.54115 -174.34926 7.19189 2.76750 -174.54495 908.14041
1915.0000 -183.90342 -176.26727 7.63615 2.70959 -175.58406 915.66747
1920.0000 -185.20438 -177.66098 7.54339 2.61840 -177.22013 813.32481
1925.0000 -184.95327 -176.11756 8.83571 2.62099 -177.17365 851.60561
1930.0000 -182.49761 -174.03882 8.45879 2.70957 -175.58443 869.97649
1935.0000 -182.10976 -174.09510 8.01465 2.79952 -173.97047 929.86339
1940.0000 -182.87592 -172.85308 10.02284 2.80137 -173.93732 955.18570
1945.0000 -182.61250 -171.89835 10.71416 2.87949 -172.53555 988.78115
1950.0000 -181.36564 -170.80667 10.55897 2.95338 -171.20988 1030.11916
1955.0000 -182.10291 -173.47914 8.62377 2.81499 -173.69290 929.97051
1960.0000 -183.22905 -174.78119 8.44786 2.79606 -174.03247 923.35137
1965.0000 -185.37917 -177.41983 7.95934 2.68936 -175.94704 894.04980
1970.0000 -185.52925 -176.62660 8.90265 2.58379 -177.84117 824.88056
1975.0000 -185.02430 -175.39916 9.62514 2.70887 -175.59684 886.85423
1980.0000 -184.33902 -177.42759 6.91143 2.64597 -176.72548 840.10970
1985.0000 -185.56952 -177.05128 8.51823 2.65315 -176.59659 875.45734
1990.0000 -184.86085 -176.67753 8.18333 2.68356 -176.05106 900.64645
1995.0000 -184.53599 -175.37038 9.16561 2.69190 -175.90139 865.83359
2000.0000 -183.15483 -173.87984 9.27499 2.75781 -174.71884 916.50242
FREEZING PROCESS: loop number 9 T-loop= 906.00000000000000
main_MD> interactions number 9 at Temperature= 906.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.81421 -2.96709 0.47655
force_rgl> df(natom) -1.20526 2.68148 -3.09226
2005.0000 -183.49246 -174.26526 9.22720 2.83480 -173.33747 983.01330
2010.0000 -183.44727 -174.00624 9.44103 2.74769 -174.90031 938.05355
2015.0000 -184.11633 -176.37901 7.73732 2.76722 -174.54998 928.88850
2020.0000 -183.20916 -175.11038 8.09879 2.66168 -176.44369 873.22845
2025.0000 -183.21016 -175.72552 7.48464 2.70454 -175.67467 879.31037
2030.0000 -185.44477 -177.26808 8.17670 2.66191 -176.43952 849.18988
2035.0000 -185.30896 -177.19902 8.10994 2.63000 -177.01201 831.63805
2040.0000 -184.96502 -175.92741 9.03761 2.70204 -175.71945 879.60225
2045.0000 -184.82087 -176.53788 8.28299 2.68732 -175.98353 892.97331
2050.0000 -184.74132 -176.54904 8.19227 2.65351 -176.59020 860.90061
2055.0000 -184.16699 -175.24656 8.92042 2.62846 -177.03964 880.44674
2060.0000 -184.44677 -175.99385 8.45293 2.65417 -176.57839 879.97507
2065.0000 -183.57035 -175.32951 8.24084 2.67864 -176.13931 871.73597
2070.0000 -184.74393 -176.50853 8.23540 2.75400 -174.78711 940.42568
2075.0000 -184.48323 -175.87193 8.61130 2.66559 -176.37353 878.71997
2080.0000 -185.31513 -175.00800 10.30714 2.70873 -175.59947 914.22764
2085.0000 -183.73856 -174.57845 9.16011 2.75304 -174.80437 943.54723
2090.0000 -184.00512 -175.29883 8.70630 2.75020 -174.85540 908.27141
2095.0000 -183.12716 -173.61832 9.50884 2.73163 -175.18851 898.76648
2100.0000 -183.65756 -174.99302 8.66454 2.80888 -173.80257 950.07905
2105.0000 -184.70221 -176.54350 8.15871 2.72162 -175.36810 902.64843
2110.0000 -184.56531 -174.05413 10.51117 2.70169 -175.72580 896.05928
2115.0000 -185.38959 -176.13495 9.25464 2.74875 -174.88130 925.57207
2120.0000 -184.90115 -175.75520 9.14595 2.69223 -175.89555 871.85684
2125.0000 -182.59617 -173.24108 9.35509 2.73677 -175.09630 925.97029
2130.0000 -185.04362 -175.53813 9.50549 2.78142 -174.29519 938.97888
2135.0000 -186.10240 -175.12160 10.98080 2.70790 -175.61440 872.65801
2140.0000 -184.03969 -176.43002 7.60967 2.72843 -175.24601 919.60840
2145.0000 -185.52343 -176.10011 9.42331 2.69429 -175.85857 885.71172
2150.0000 -184.73520 -175.69148 9.04372 2.70306 -175.70109 901.19652
2155.0000 -184.46746 -176.30670 8.16076 2.72500 -175.30752 904.22856
2160.0000 -185.76448 -177.73380 8.03068 2.64629 -176.71965 837.04390
2165.0000 -184.61985 -176.03667 8.58318 2.65381 -176.58489 851.24285
2170.0000 -183.64131 -174.35321 9.28810 2.73781 -175.07775 907.54906
2175.0000 -185.39402 -176.77774 8.61628 2.69910 -175.77217 886.57006
2180.0000 -185.12553 -177.13559 7.98994 2.64002 -176.83227 819.75696
2185.0000 -185.64923 -175.61065 10.03858 2.68772 -175.97642 865.84831
2190.0000 -182.45584 -173.82608 8.62976 2.70385 -175.68695 921.70544
2195.0000 -185.45905 -176.51842 8.94063 2.75698 -174.73378 948.28851
2200.0000 -182.21718 -174.00979 8.20739 2.73573 -175.11494 916.57334
2205.0000 -182.58285 -173.69048 8.89237 2.77857 -174.34632 937.89753
2210.0000 -182.81147 -173.93449 8.87698 2.84166 -173.21433 965.41432
2215.0000 -183.66686 -174.84740 8.81946 2.77140 -174.47496 937.21595
2220.0000 -182.94869 -174.87979 8.06890 2.76754 -174.54425 920.17676
2225.0000 -182.63351 -174.05659 8.57693 2.84054 -173.23442 987.45658
2230.0000 -183.24727 -174.12317 9.12409 2.77996 -174.32147 939.83837
2235.0000 -181.97983 -173.71559 8.26424 2.75426 -174.78260 925.46444
2240.0000 -183.87737 -174.41548 9.46189 2.78278 -174.27078 922.87873
2245.0000 -183.19374 -172.86533 10.32841 2.83162 -173.39449 984.19181
2250.0000 -182.31539 -172.99967 9.31572 2.81838 -173.63204 947.16556
FREEZING PROCESS: loop number 10 T-loop= 881.00000000000000
main_MD> interactions number 10 at Temperature= 881.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20721 1.38795 -4.25475
force_rgl> df(natom) -2.96428 1.77554 -4.55508
2255.0000 -182.74830 -174.79714 7.95115 2.76908 -174.51652 883.14885
2260.0000 -182.00861 -173.35481 8.65379 2.78857 -174.16683 915.59118
2265.0000 -181.22635 -172.19461 9.03174 2.80551 -173.86294 938.12432
2270.0000 -181.87851 -172.85830 9.02021 2.93898 -171.46814 1044.91162
2275.0000 -183.05491 -175.05655 7.99837 2.85193 -173.03014 991.75527
2280.0000 -183.27705 -174.48820 8.78885 2.77124 -174.47793 911.49689
2285.0000 -182.56479 -174.57118 7.99361 2.76020 -174.67592 917.57483
2290.0000 -184.55321 -175.65805 8.89516 2.74494 -174.94966 900.47953
2295.0000 -185.93583 -177.59866 8.33717 2.61591 -177.26479 819.54892
2300.0000 -184.14747 -176.18126 7.96621 2.66913 -176.30995 865.83713
2305.0000 -186.79560 -178.30968 8.48592 2.60784 -177.40967 827.02341
2310.0000 -184.39347 -176.59409 7.79938 2.69394 -175.86476 889.33453
2315.0000 -183.73640 -173.94013 9.79626 2.74318 -174.98123 921.69161
2320.0000 -184.46948 -175.05724 9.41224 2.82080 -173.58858 957.90772
2325.0000 -184.85184 -175.45857 9.39327 2.78619 -174.20968 949.81304
2330.0000 -186.29774 -177.34162 8.95612 2.68567 -176.01309 884.64199
2335.0000 -185.05734 -176.23397 8.82337 2.66805 -176.32930 855.38995
2340.0000 -185.77631 -176.89380 8.88250 2.69815 -175.78919 871.02206
2345.0000 -186.27781 -177.28116 8.99665 2.66686 -176.35061 875.79492
2350.0000 -185.48357 -176.51849 8.96508 2.61552 -177.27185 852.06370
2355.0000 -184.58201 -175.19459 9.38742 2.67049 -176.28548 886.46490
2360.0000 -183.41973 -175.01679 8.40294 2.70885 -175.59733 908.78032
2365.0000 -184.05388 -175.56886 8.48502 2.73224 -175.17758 901.31880
2370.0000 -184.87732 -176.38489 8.49243 2.71104 -175.55800 893.91000
2375.0000 -185.94305 -177.62978 8.31327 2.61394 -177.30020 830.03821
2380.0000 -186.30081 -176.61410 9.68671 2.62061 -177.18049 861.32237
2385.0000 -184.89367 -177.49201 7.40166 2.66989 -176.29626 878.95075
2390.0000 -186.69503 -179.54982 7.14520 2.53266 -178.75856 777.20699
2395.0000 -185.57022 -177.44762 8.12260 2.53606 -178.69745 789.24315
2400.0000 -185.48010 -176.93182 8.54828 2.63032 -177.00627 860.29423
2405.0000 -184.95417 -175.66715 9.28701 2.65163 -176.62392 856.12928
2410.0000 -184.45352 -176.45850 7.99501 2.73681 -175.09556 923.55446
2415.0000 -185.35703 -176.16189 9.19514 2.65644 -176.53754 855.36053
2420.0000 -185.12910 -177.37160 7.75750 2.61072 -177.35786 833.33849
2425.0000 -182.88383 -174.01241 8.87142 2.68373 -176.04798 847.89721
2430.0000 -182.17979 -174.34679 7.83300 2.78907 -174.15798 914.23220
2435.0000 -185.01635 -175.01550 10.00085 2.75606 -174.75014 918.23599
2440.0000 -184.94975 -175.53313 9.41661 2.69942 -175.76650 868.86017
2445.0000 -182.61349 -174.10795 8.50555 2.77892 -174.34008 896.05526
2450.0000 -183.51071 -176.16391 7.34680 2.71481 -175.49031 887.81034
2455.0000 -182.59637 -174.67271 7.92366 2.72751 -175.26241 903.85291
2460.0000 -184.87001 -176.26941 8.60060 2.73301 -175.16379 912.89283
2465.0000 -186.16859 -178.07623 8.09236 2.61800 -177.22734 836.84618
2470.0000 -184.16118 -176.07977 8.08140 2.62207 -177.15425 834.67140
2475.0000 -185.15281 -175.47597 9.67685 2.73081 -175.20334 916.96228
2480.0000 -185.55663 -175.64100 9.91563 2.67358 -176.23012 882.06601
2485.0000 -185.16710 -176.34929 8.81781 2.64726 -176.70235 844.59846
2490.0000 -184.20737 -175.74643 8.46094 2.69387 -175.86604 900.57279
2495.0000 -186.55933 -179.11243 7.44690 2.59963 -177.55685 836.07626
2500.0000 -186.37106 -177.70818 8.66287 2.56107 -178.24878 803.70644
FREEZING PROCESS: loop number 11 T-loop= 856.00000000000000
main_MD> interactions number 11 at Temperature= 856.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.36500 -0.31398 -0.07753
force_rgl> df(natom) -0.04793 2.02635 1.19528
2505.0000 -185.04400 -177.63668 7.40732 2.57963 -177.91579 832.40861
2510.0000 -184.49460 -175.89019 8.60441 2.61126 -177.34833 840.94562
2515.0000 -186.61745 -177.51951 9.09794 2.64390 -176.76254 852.20008
2520.0000 -186.50849 -177.78944 8.71905 2.55601 -178.33957 835.90065
2525.0000 -186.34289 -175.61376 10.72912 2.59413 -177.65558 828.30202
2530.0000 -185.49723 -177.99958 7.49766 2.61652 -177.25396 842.12016
2535.0000 -185.90910 -177.76084 8.14827 2.53789 -178.66464 769.85405
2540.0000 -184.59065 -176.65304 7.93761 2.64119 -176.81128 836.35889
2545.0000 -183.87656 -174.86737 9.00919 2.65764 -176.51615 871.45809
2550.0000 -184.01592 -174.58026 9.43566 2.75748 -174.72470 907.94380
2555.0000 -183.70146 -174.74765 8.95381 2.79850 -173.98875 966.85757
2560.0000 -185.11550 -175.83547 9.28004 2.71752 -175.44168 915.54723
2565.0000 -184.50159 -175.51611 8.98548 2.64328 -176.77368 835.74026
2570.0000 -185.85433 -177.29783 8.55650 2.64675 -176.71155 862.13011
2575.0000 -186.97554 -178.57568 8.39986 2.57302 -178.03441 808.93539
2580.0000 -184.15411 -176.58385 7.57026 2.59557 -177.62978 841.18074
2585.0000 -186.32490 -176.97204 9.35286 2.62070 -177.17883 836.47388
2590.0000 -185.20235 -176.83206 8.37029 2.63769 -176.87406 867.95357
2595.0000 -185.05687 -176.80657 8.25029 2.59571 -177.62730 830.07234
2600.0000 -186.31347 -179.21384 7.09963 2.59486 -177.64256 826.33836
2605.0000 -185.60230 -177.47411 8.12819 2.58320 -177.85173 804.91006
2610.0000 -184.43345 -176.24357 8.18988 2.66564 -176.37256 852.55950
2615.0000 -184.16466 -176.03948 8.12519 2.66394 -176.40313 851.24852
2620.0000 -185.19923 -177.86524 7.33399 2.66366 -176.40801 856.87338
2625.0000 -187.18131 -177.89272 9.28859 2.56031 -178.26233 798.50560
2630.0000 -185.02559 -176.55438 8.47121 2.59467 -177.64594 825.75976
2635.0000 -185.55159 -178.20048 7.35111 2.59312 -177.67364 795.68688
2640.0000 -185.29691 -175.94573 9.35118 2.61502 -177.28074 840.29658
2645.0000 -185.24986 -176.91574 8.33412 2.68121 -176.09315 881.65825
2650.0000 -185.94079 -177.43935 8.50145 2.64322 -176.77473 876.62284
2655.0000 -183.57346 -175.29330 8.28017 2.70744 -175.62265 912.95719
2660.0000 -184.59276 -175.60180 8.99096 2.67601 -176.18646 873.71351
2665.0000 -184.65988 -175.06351 9.59637 2.68821 -175.96766 893.89701
2670.0000 -185.56767 -176.60814 8.95953 2.69904 -175.77323 889.15748
2675.0000 -186.44723 -177.50878 8.93845 2.61152 -177.34355 829.41408
2680.0000 -185.30966 -176.90707 8.40259 2.58576 -177.80577 824.76403
2685.0000 -182.45471 -174.05257 8.40215 2.70510 -175.66461 886.52273
2690.0000 -183.40817 -174.36014 9.04803 2.73771 -175.07941 880.10611
2695.0000 -185.30924 -176.30960 8.99964 2.69291 -175.88329 906.97790
2700.0000 -184.93622 -175.76053 9.17569 2.68314 -176.05849 875.33717
2705.0000 -184.74008 -176.93977 7.80031 2.70047 -175.74769 877.00388
2710.0000 -183.03427 -175.46317 7.57110 2.66499 -176.38414 859.38899
2715.0000 -184.85661 -176.26522 8.59139 2.69444 -175.85590 901.02638
2720.0000 -183.78275 -174.83236 8.95039 2.67117 -176.27340 866.03220
2725.0000 -184.99527 -176.28062 8.71465 2.73263 -175.17064 903.74474
2730.0000 -184.42153 -175.11833 9.30320 2.73778 -175.07811 890.94329
2735.0000 -184.02922 -176.08809 7.94113 2.71777 -175.43723 869.64517
2740.0000 -186.55029 -178.62462 7.92567 2.59408 -177.65650 793.88029
2745.0000 -186.42324 -177.44355 8.97970 2.54761 -178.49028 808.98955
2750.0000 -184.07871 -175.20131 8.87740 2.71335 -175.51652 897.46009
FREEZING PROCESS: loop number 12 T-loop= 831.00000000000000
main_MD> interactions number 12 at Temperature= 831.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.43704 0.58782 1.33987
force_rgl> df(natom) 0.24589 -0.53864 -0.49612
2755.0000 -184.79757 -176.58061 8.21696 2.67994 -176.11606 884.43615
2760.0000 -185.85762 -177.59885 8.25877 2.65590 -176.54727 865.15515
2765.0000 -186.53185 -178.63263 7.89921 2.58862 -177.75444 794.44980
2770.0000 -187.11224 -179.31912 7.79312 2.50225 -179.30406 794.64142
2775.0000 -186.62801 -179.01479 7.61322 2.50580 -179.24037 771.97123
2780.0000 -185.38453 -178.03526 7.34928 2.51478 -179.07928 775.07023
2785.0000 -185.88947 -177.55843 8.33104 2.59206 -177.69275 802.40687
2790.0000 -184.30217 -177.91631 6.38586 2.62069 -177.17907 838.27737
2795.0000 -185.12028 -177.25088 7.86940 2.60319 -177.49311 815.46062
2800.0000 -186.21442 -178.26601 7.94841 2.58965 -177.73598 820.84740
2805.0000 -185.71222 -178.06422 7.64800 2.52798 -178.84243 783.61185
2810.0000 -186.36864 -178.41882 7.94981 2.57346 -178.02642 820.81982
2815.0000 -185.04378 -177.26430 7.77948 2.62515 -177.09901 856.02367
2820.0000 -186.24878 -176.96321 9.28557 2.60658 -177.43219 851.47224
2825.0000 -187.16651 -178.29463 8.87188 2.53969 -178.63234 787.56969
2830.0000 -185.29764 -177.82195 7.47569 2.58478 -177.82334 788.45573
2835.0000 -186.05781 -178.56271 7.49510 2.53947 -178.63631 775.09593
2840.0000 -184.86454 -177.44096 7.42358 2.56079 -178.25382 788.15393
2845.0000 -184.81897 -175.96868 8.85029 2.61465 -177.28747 840.41771
2850.0000 -185.43142 -177.08062 8.35079 2.64492 -176.74433 879.30497
2855.0000 -185.75700 -177.28198 8.47502 2.58791 -177.76714 827.12693
2860.0000 -185.42989 -177.95962 7.47027 2.57496 -177.99960 828.21852
2865.0000 -186.57225 -177.66949 8.90276 2.56937 -178.09980 797.50238
2870.0000 -184.77398 -177.31697 7.45701 2.59390 -177.65965 825.08742
2875.0000 -186.05754 -177.13337 8.92418 2.60405 -177.47767 813.35872
2880.0000 -186.19790 -177.93657 8.26132 2.60370 -177.48392 823.66220
2885.0000 -184.74160 -176.98419 7.75741 2.64642 -176.71733 853.51528
2890.0000 -184.48558 -176.48412 8.00146 2.63151 -176.98493 861.75374
2895.0000 -186.93852 -177.94432 8.99420 2.61504 -177.28036 827.46101
2900.0000 -185.78637 -178.87031 6.91606 2.53722 -178.67668 783.94222
2905.0000 -186.69622 -178.39792 8.29830 2.58190 -177.87501 793.51312
2910.0000 -184.49559 -176.21819 8.27739 2.61568 -177.26892 851.44777
2915.0000 -185.28155 -176.13099 9.15056 2.72575 -175.29412 914.69916
2920.0000 -182.38512 -174.78471 7.60041 2.68207 -176.07785 877.98555
2925.0000 -186.06459 -178.02013 8.04446 2.61634 -177.25712 830.73158
2930.0000 -187.07518 -179.50578 7.56939 2.50218 -179.30531 747.91670
2935.0000 -186.33867 -178.52123 7.81744 2.53565 -178.70480 791.38824
2940.0000 -185.64003 -178.11556 7.52447 2.57501 -177.99870 782.04951
2945.0000 -185.94071 -176.99238 8.94833 2.61231 -177.32946 846.14857
2950.0000 -185.79444 -177.64525 8.14919 2.59018 -177.72653 825.62692
2955.0000 -185.77388 -177.92988 7.84400 2.65063 -176.64177 837.32505
2960.0000 -185.67678 -177.67132 8.00546 2.67227 -176.25355 858.18027
2965.0000 -187.67840 -179.22595 8.45245 2.53455 -178.72451 774.35160
2970.0000 -187.47218 -178.20743 9.26475 2.57633 -177.97504 834.07591
2975.0000 -186.10802 -178.64084 7.46718 2.56983 -178.09158 823.40797
2980.0000 -187.76371 -178.53514 9.22857 2.55838 -178.29709 818.39857
2985.0000 -185.94199 -177.85546 8.08653 2.55017 -178.44429 808.38893
2990.0000 -185.02783 -177.67471 7.35312 2.60778 -177.41070 809.29594
2995.0000 -185.07116 -176.30274 8.76842 2.60995 -177.37180 860.28231
3000.0000 -183.14964 -174.22275 8.92689 2.70271 -175.70737 891.42797
FREEZING PROCESS: loop number 13 T-loop= 806.00000000000000
main_MD> interactions number 13 at Temperature= 806.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06018 -3.17575 -0.26476
force_rgl> df(natom) 0.27494 -1.38972 1.66305
3005.0000 -185.77313 -178.21260 7.56053 2.71949 -175.40633 877.96337
3010.0000 -188.45861 -181.02720 7.43141 2.48160 -179.67459 728.06588
3015.0000 -186.97859 -179.16631 7.81228 2.46334 -180.00225 725.89129
3020.0000 -187.62791 -179.84535 7.78256 2.49963 -179.35106 778.60203
3025.0000 -186.22950 -179.52990 6.69961 2.47145 -179.85673 728.24765
3030.0000 -186.32445 -178.59475 7.72971 2.51308 -179.10976 776.01998
3035.0000 -186.64794 -179.20455 7.44339 2.55367 -178.38147 809.94480
3040.0000 -186.16688 -178.46664 7.70024 2.49099 -179.50611 782.90983
3045.0000 -187.17571 -178.18573 8.98998 2.55249 -178.40266 826.04794
3050.0000 -185.06871 -179.17747 5.89124 2.50998 -179.16535 759.77288
3055.0000 -186.80877 -179.62814 7.18063 2.51261 -179.11826 761.56264
3060.0000 -188.11610 -180.50117 7.61493 2.47098 -179.86519 756.15046
3065.0000 -186.10558 -179.85587 6.24970 2.43630 -180.48748 732.99820
3070.0000 -186.26090 -178.61514 7.64576 2.51316 -179.10838 763.79158
3075.0000 -186.95881 -180.53035 6.42846 2.45821 -180.09422 718.78634
3080.0000 -187.05747 -179.44450 7.61297 2.49080 -179.50961 743.36163
3085.0000 -185.18006 -177.99378 7.18628 2.52653 -178.86842 786.35589
3090.0000 -185.37327 -177.75412 7.61916 2.58226 -177.86852 790.86151
3095.0000 -184.07937 -176.20854 7.87083 2.62055 -177.18164 832.74846
3100.0000 -184.50485 -176.54259 7.96226 2.64504 -176.74222 850.27762
3105.0000 -186.16664 -178.51771 7.64892 2.59021 -177.72600 828.26115
3110.0000 -185.26961 -176.87439 8.39522 2.61785 -177.23001 829.75604
3115.0000 -184.60688 -177.49702 7.10986 2.55039 -178.44044 785.57889
3120.0000 -185.75186 -176.80342 8.94845 2.60470 -177.46598 811.37014
3125.0000 -185.91683 -178.31724 7.59958 2.61745 -177.23717 843.70297
3130.0000 -186.58680 -179.35126 7.23554 2.56493 -178.17958 808.88956
3135.0000 -184.06245 -176.08400 7.97845 2.58990 -177.73146 822.04002
3140.0000 -185.95508 -178.46894 7.48614 2.63289 -176.96024 850.60964
3145.0000 -185.34617 -176.33796 9.00822 2.62830 -177.04247 831.41165
3150.0000 -185.79516 -178.58634 7.20882 2.55811 -178.30180 784.40209
3155.0000 -186.53250 -178.82687 7.70563 2.53671 -178.68576 789.86122
3160.0000 -185.70658 -178.66571 7.04087 2.49919 -179.35900 733.36052
3165.0000 -184.68000 -176.38535 8.29465 2.56669 -178.14800 813.03444
3170.0000 -185.40563 -177.30504 8.10060 2.64191 -176.79827 843.55870
3175.0000 -186.78022 -179.26989 7.51033 2.57688 -177.96513 823.52799
3180.0000 -186.41745 -179.86904 6.54840 2.48873 -179.54672 727.90760
3185.0000 -185.87152 -178.20345 7.66807 2.49595 -179.41717 736.23145
3190.0000 -185.59172 -178.31090 7.28082 2.53731 -178.67507 784.67600
3195.0000 -185.80705 -177.51810 8.28896 2.55054 -178.43773 777.45567
3200.0000 -185.53006 -177.34264 8.18742 2.59919 -177.56483 816.89764
3205.0000 -186.26232 -179.41484 6.84748 2.53898 -178.64517 757.65613
3210.0000 -187.01471 -178.48661 8.52810 2.50141 -179.31922 744.06500
3215.0000 -186.42345 -178.43061 7.99284 2.59480 -177.64357 818.29159
3220.0000 -186.12998 -179.40487 6.72511 2.55753 -178.31231 820.76992
3225.0000 -185.65112 -178.51938 7.13174 2.50917 -179.18000 759.54791
3230.0000 -187.41018 -178.59629 8.81389 2.56656 -178.15018 805.55016
3235.0000 -187.27591 -179.88434 7.39158 2.55590 -178.34153 824.01818
3240.0000 -187.33314 -180.41116 6.92198 2.45436 -180.16340 734.20295
3245.0000 -187.31400 -178.97114 8.34285 2.50650 -179.22783 772.82940
3250.0000 -188.03642 -181.32619 6.71023 2.45404 -180.16911 736.38057
FREEZING PROCESS: loop number 14 T-loop= 781.00000000000000
main_MD> interactions number 14 at Temperature= 781.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79601 0.52618 1.04756
force_rgl> df(natom) 1.06589 -2.53268 -0.16596
3255.0000 -187.05856 -179.62498 7.43358 2.44602 -180.31299 737.32678
3260.0000 -187.49086 -180.82961 6.66125 2.46753 -179.92702 743.13680
3265.0000 -187.25238 -179.48474 7.76764 2.42091 -180.76363 737.27277
3270.0000 -188.07024 -180.64001 7.43024 2.45704 -180.11520 751.22967
3275.0000 -187.78244 -180.61579 7.16665 2.42664 -180.66074 713.64095
3280.0000 -187.03869 -180.16269 6.87600 2.45058 -180.23120 753.78041
3285.0000 -186.69341 -178.92380 7.76960 2.50915 -179.18032 757.65333
3290.0000 -188.16257 -180.17899 7.98359 2.48216 -179.66460 719.27223
3295.0000 -187.48227 -180.29431 7.18796 2.45656 -180.12389 740.96098
3300.0000 -187.52150 -180.85864 6.66286 2.44800 -180.27742 728.86205
3305.0000 -187.40379 -179.28689 8.11690 2.47205 -179.84594 744.69045
3310.0000 -187.17368 -179.76056 7.41312 2.51773 -179.02633 787.59230
3315.0000 -187.86864 -180.45048 7.41816 2.48096 -179.68605 742.46989
3320.0000 -186.27505 -178.78821 7.48684 2.49755 -179.38840 754.24548
3325.0000 -188.35481 -180.10231 8.25251 2.46031 -180.05654 726.53282
3330.0000 -187.76642 -180.26573 7.50069 2.44867 -180.26550 726.12869
3335.0000 -187.15294 -179.47810 7.67484 2.49352 -179.46080 770.67269
3340.0000 -188.19681 -180.87989 7.31692 2.44564 -180.31987 743.78171
3345.0000 -186.97052 -179.82756 7.14296 2.43136 -180.57602 708.57892
3350.0000 -186.42806 -178.78403 7.64403 2.52081 -178.97115 758.39229
3355.0000 -187.38323 -179.40765 7.97558 2.51958 -178.99327 766.91160
3360.0000 -185.42213 -177.56834 7.85379 2.52547 -178.88749 812.11933
3365.0000 -186.34123 -176.59906 9.74217 2.66435 -176.39578 863.49751
3370.0000 -185.62139 -177.07771 8.54369 2.60923 -177.38460 815.02074
3375.0000 -186.81159 -178.97251 7.83907 2.59622 -177.61818 830.19674
3380.0000 -185.22600 -177.90476 7.32124 2.53141 -178.78094 768.11674
3385.0000 -187.63894 -179.66190 7.97704 2.52834 -178.83596 785.52630
3390.0000 -185.47925 -178.41738 7.06187 2.54324 -178.56863 772.26406
3395.0000 -185.14641 -177.51943 7.62698 2.53917 -178.64177 776.95851
3400.0000 -185.01697 -176.96616 8.05081 2.59700 -177.60416 823.33517
3405.0000 -185.07112 -177.02688 8.04424 2.63990 -176.83435 865.27473
3410.0000 -184.65572 -176.15821 8.49750 2.63378 -176.94416 820.92670
3415.0000 -185.87540 -176.81478 9.06061 2.67109 -176.27472 835.26864
3420.0000 -186.38565 -178.27330 8.11236 2.58507 -177.81808 814.90184
3425.0000 -187.24283 -179.48654 7.75628 2.50534 -179.24868 776.02132
3430.0000 -187.84358 -180.69606 7.14752 2.50321 -179.28686 761.55598
3435.0000 -187.70498 -180.29552 7.40946 2.42863 -180.62500 716.42855
3440.0000 -185.99311 -177.34050 8.65261 2.54951 -178.45620 799.42020
3445.0000 -187.14024 -179.69723 7.44300 2.56625 -178.15582 788.94852
3450.0000 -188.22392 -180.48174 7.74218 2.43985 -180.42370 720.13169
3455.0000 -187.49568 -179.08558 8.41010 2.51363 -179.10003 794.25323
3460.0000 -186.13132 -178.37267 7.75865 2.52992 -178.80774 796.06295
3465.0000 -186.25421 -178.25863 7.99558 2.54643 -178.51152 800.62460
3470.0000 -185.41391 -177.09319 8.32072 2.59838 -177.57941 812.97798
3475.0000 -186.06290 -179.19272 6.87018 2.57174 -178.05730 808.25391
3480.0000 -186.43247 -179.84489 6.58758 2.45882 -180.08327 717.70031
3485.0000 -186.71538 -179.53012 7.18525 2.50729 -179.21372 769.45720
3490.0000 -184.99399 -177.91577 7.07822 2.57704 -177.96222 827.50467
3495.0000 -186.12518 -177.61357 8.51161 2.59326 -177.67127 817.03725
3500.0000 -184.99254 -177.54675 7.44579 2.59873 -177.57300 821.30134
FREEZING PROCESS: loop number 15 T-loop= 756.00000000000000
main_MD> interactions number 15 at Temperature= 756.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05600 3.52255 1.22044
force_rgl> df(natom) 0.87262 4.50131 0.65144
3505.0000 -186.97735 -179.21248 7.76487 2.55844 -178.29603 800.97636
3510.0000 -188.39627 -182.15296 6.24331 2.38560 -181.39713 694.01978
3515.0000 -188.28378 -180.80168 7.48209 2.36986 -181.67957 674.29251
3520.0000 -187.35456 -179.88560 7.46896 2.43971 -180.42623 701.48676
3525.0000 -188.08519 -180.28121 7.80399 2.48600 -179.59567 740.13088
3530.0000 -188.65388 -181.55884 7.09504 2.39090 -181.30203 674.53731
3535.0000 -188.07527 -181.42323 6.65205 2.39823 -181.17039 704.57064
3540.0000 -188.05874 -181.49374 6.56500 2.40044 -181.13077 694.12985
3545.0000 -186.81324 -180.22227 6.59096 2.41156 -180.93123 710.15231
3550.0000 -187.32860 -179.01224 8.31636 2.48987 -179.52632 756.45517
3555.0000 -186.88023 -178.65371 8.22652 2.53228 -178.76535 793.99191
3560.0000 -187.05874 -179.73028 7.32846 2.46784 -179.92156 749.39474
3565.0000 -185.52348 -178.43284 7.09064 2.51791 -179.02319 767.43130
3570.0000 -188.54592 -178.55628 9.98965 2.52219 -178.94631 771.97605
3575.0000 -186.71626 -179.40047 7.31579 2.54433 -178.54914 805.36379
3580.0000 -186.37239 -178.88501 7.48738 2.50858 -179.19047 738.35311
3585.0000 -186.19195 -178.67342 7.51852 2.52549 -178.88720 786.55031
3590.0000 -185.59142 -178.05693 7.53448 2.58393 -177.83864 779.52274
3595.0000 -186.90394 -179.29775 7.60619 2.50715 -179.21624 769.34806
3600.0000 -187.32377 -179.89753 7.42624 2.49193 -179.48925 736.11743
3605.0000 -186.79810 -179.80164 6.99646 2.47783 -179.74233 732.76879
3610.0000 -184.65138 -176.46403 8.18735 2.56825 -178.11994 799.73545
3615.0000 -185.92096 -177.98754 7.93341 2.63230 -176.97079 835.99087
3620.0000 -185.59891 -178.78110 6.81781 2.56393 -178.19745 805.66462
3625.0000 -185.30364 -177.42440 7.87924 2.59858 -177.57578 826.47419
3630.0000 -186.88237 -179.66658 7.21579 2.51878 -179.00760 775.74582
3635.0000 -187.19133 -179.74903 7.44230 2.51278 -179.11527 788.41512
3640.0000 -187.11758 -178.82169 8.29589 2.52674 -178.86479 796.70960
3645.0000 -187.57632 -178.84937 8.72695 2.51371 -179.09849 764.91932
3650.0000 -187.97558 -180.26018 7.71540 2.49122 -179.50206 758.49966
3655.0000 -186.65587 -180.06975 6.58613 2.47216 -179.84408 736.89207
3660.0000 -187.64956 -178.95712 8.69243 2.46087 -180.04666 753.01229
3665.0000 -187.75042 -179.59566 8.15476 2.51322 -179.10730 770.86462
3670.0000 -186.18997 -178.78910 7.40087 2.50822 -179.19702 776.87972
3675.0000 -185.77007 -177.18364 8.58643 2.58398 -177.83769 811.98354
3680.0000 -186.52331 -179.35256 7.17075 2.53777 -178.66684 776.55282
3685.0000 -187.69893 -179.77079 7.92814 2.49859 -179.36983 751.20816
3690.0000 -187.66826 -180.16042 7.50784 2.47167 -179.85278 769.60439
3695.0000 -186.40788 -179.79474 6.61314 2.48232 -179.66168 755.14327
3700.0000 -187.66882 -180.33705 7.33177 2.46057 -180.05197 738.60201
3705.0000 -186.64744 -179.56573 7.08171 2.51839 -179.01450 784.97303
3710.0000 -186.90696 -178.70448 8.20249 2.52765 -178.84843 763.81967
3715.0000 -189.06425 -181.35565 7.70860 2.45998 -180.06256 740.29129
3720.0000 -187.21211 -180.92378 6.28834 2.39931 -181.15116 702.78444
3725.0000 -185.22180 -177.93558 7.28622 2.50346 -179.28239 750.47776
3730.0000 -185.21317 -177.61507 7.59810 2.55385 -178.37830 771.76307
3735.0000 -185.50186 -178.22913 7.27273 2.59295 -177.67682 809.31961
3740.0000 -187.63113 -179.38045 8.25068 2.50876 -179.18727 774.90465
3745.0000 -187.65936 -180.87656 6.78280 2.41224 -180.91912 700.61898
3750.0000 -186.86758 -180.50340 6.36418 2.44500 -180.33126 709.73518
FREEZING PROCESS: loop number 16 T-loop= 731.00000000000000
main_MD> interactions number 16 at Temperature= 731.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.18945 -3.84820 9.98965
force_rgl> df(natom) -0.99837 2.38716 -1.77559
3755.0000 -188.16116 -181.63576 6.52540 2.42444 -180.70021 708.89478
3760.0000 -187.62607 -181.09679 6.52929 2.40709 -181.01154 705.39064
3765.0000 -187.34534 -179.12229 8.22305 2.44125 -180.39856 728.23692
3770.0000 -185.91122 -178.37966 7.53155 2.56818 -178.12119 819.74761
3775.0000 -186.08868 -178.94585 7.14283 2.51911 -179.00170 767.70509
3780.0000 -187.49020 -180.81993 6.67027 2.52947 -178.81572 783.43097
3785.0000 -188.22586 -179.97777 8.24809 2.45419 -180.16651 741.61800
3790.0000 -186.66164 -178.44137 8.22027 2.49509 -179.43264 771.39603
3795.0000 -186.80651 -180.33323 6.47328 2.51882 -179.00677 780.07103
3800.0000 -186.62756 -178.90337 7.72419 2.45938 -180.07332 718.70170
3805.0000 -186.37782 -178.80992 7.56790 2.55888 -178.28808 796.28246
3810.0000 -185.57053 -176.34464 9.22589 2.52967 -178.81210 766.29057
3815.0000 -185.33536 -177.24894 8.08642 2.62452 -177.11026 842.63994
3820.0000 -185.14164 -178.82786 6.31379 2.54777 -178.48735 803.55615
3825.0000 -186.27678 -179.42745 6.84933 2.50558 -179.24432 759.42759
3830.0000 -186.97656 -180.02227 6.95428 2.46770 -179.92399 740.18531
3835.0000 -187.99046 -181.26340 6.72706 2.43842 -180.44938 725.60097
3840.0000 -187.39223 -180.44936 6.94287 2.42064 -180.76848 721.82545
3845.0000 -186.79024 -179.73217 7.05807 2.46472 -179.97750 733.50082
3850.0000 -186.77022 -179.16795 7.60226 2.50429 -179.26745 737.66888
3855.0000 -186.54203 -178.04716 8.49487 2.49313 -179.46768 726.22760
3860.0000 -184.91618 -178.69647 6.21971 2.55062 -178.43627 796.56917
3865.0000 -187.39557 -178.78685 8.60873 2.53658 -178.68817 794.77825
3870.0000 -188.11942 -180.77529 7.34413 2.45118 -180.22036 737.05448
3875.0000 -188.70019 -182.50186 6.19833 2.36191 -181.82221 673.72902
3880.0000 -189.23541 -182.49278 6.74263 2.33943 -182.22545 654.90641
3885.0000 -187.89182 -179.94245 7.94937 2.44350 -180.35820 775.05737
3890.0000 -186.88083 -179.09834 7.78250 2.47065 -179.87105 743.01408
3895.0000 -187.21945 -179.78596 7.43349 2.45674 -180.12075 751.93840
3900.0000 -186.16372 -179.74070 6.42302 2.47991 -179.70489 736.66640
3905.0000 -188.36146 -181.28600 7.07546 2.43084 -180.58534 720.39604
3910.0000 -186.58757 -179.35547 7.23210 2.42395 -180.70894 719.77438
3915.0000 -186.99372 -179.38526 7.60846 2.50236 -179.30211 789.17010
3920.0000 -186.93583 -178.82054 8.11529 2.53715 -178.67785 777.35228
3925.0000 -187.58688 -179.57639 8.01049 2.52692 -178.86155 793.29648
3930.0000 -187.00620 -179.34031 7.66589 2.51037 -179.15846 772.02017
3935.0000 -187.48214 -180.86279 6.61935 2.46902 -179.90027 730.87190
3940.0000 -187.47262 -180.21494 7.25769 2.41310 -180.90375 708.59843
3945.0000 -188.14650 -180.90326 7.24324 2.44877 -180.26369 725.51842
3950.0000 -187.23198 -181.10751 6.12446 2.42705 -180.65341 707.58723
3955.0000 -187.94465 -179.49313 8.45151 2.44015 -180.41834 736.82084
3960.0000 -185.91366 -178.58921 7.32444 2.50269 -179.29615 786.03629
3965.0000 -188.22738 -181.16099 7.06640 2.49136 -179.49943 742.26867
3970.0000 -188.54013 -180.72579 7.81434 2.42211 -180.74206 709.10144
3975.0000 -187.89177 -182.12563 5.76613 2.38457 -181.41559 690.23592
3980.0000 -188.82847 -182.86595 5.96253 2.35445 -181.95598 694.65666
3985.0000 -188.43939 -181.86089 6.57849 2.37345 -181.61512 687.15844
3990.0000 -187.05704 -180.57202 6.48503 2.40608 -181.02961 701.92172
3995.0000 -189.38949 -182.59911 6.79038 2.43717 -180.47173 704.27210
4000.0000 -187.51046 -180.65437 6.85609 2.40920 -180.97368 721.34316
FREEZING PROCESS: loop number 17 T-loop= 706.00000000000000
main_MD> interactions number 17 at Temperature= 706.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05011 -1.03835 -1.93628
force_rgl> df(natom) -0.26595 -2.17779 0.56823
4005.0000 -188.92313 -182.39320 6.52993 2.40841 -180.98777 702.71831
4010.0000 -189.08774 -182.78860 6.29914 2.34276 -182.16569 656.97934
4015.0000 -189.26278 -183.28284 5.97994 2.28202 -183.25555 626.85957
4020.0000 -187.73042 -180.79952 6.93091 2.36130 -181.83314 672.89938
4025.0000 -186.41607 -179.30087 7.11520 2.47090 -179.86656 766.66921
4030.0000 -187.04680 -179.25477 7.79203 2.49824 -179.37613 779.77287
4035.0000 -188.93105 -181.06794 7.86311 2.43444 -180.52078 728.59255
4040.0000 -187.87598 -180.80874 7.06723 2.45164 -180.21218 751.83229
4045.0000 -188.61988 -182.16288 6.45700 2.37431 -181.59967 675.55972
4050.0000 -188.23357 -182.60351 5.63007 2.33183 -182.36191 648.56044
4055.0000 -189.30025 -181.32031 7.97995 2.39849 -181.16572 685.50061
4060.0000 -187.92125 -181.59081 6.33045 2.40197 -181.10337 684.01674
4065.0000 -189.37133 -180.59815 8.77319 2.40478 -181.05287 685.54748
4070.0000 -187.12171 -179.71745 7.40426 2.39879 -181.16045 695.86061
4075.0000 -186.47587 -179.53017 6.94570 2.48822 -179.55585 779.02045
4080.0000 -186.21252 -179.93528 6.27725 2.45271 -180.19293 717.78129
4085.0000 -187.00499 -179.74015 7.26484 2.47728 -179.75219 742.02867
4090.0000 -186.68267 -179.67357 7.00910 2.51321 -179.10752 759.16785
4095.0000 -188.14435 -180.34533 7.79902 2.47487 -179.79537 740.10669
4100.0000 -187.77399 -181.03407 6.73992 2.44186 -180.38757 716.34664
4105.0000 -187.39376 -181.25755 6.13620 2.34883 -182.05675 671.78566
4110.0000 -186.15327 -180.12701 6.02627 2.45038 -180.23486 706.75265
4115.0000 -186.56761 -179.46644 7.10117 2.46470 -179.97793 752.40290
4120.0000 -186.98246 -179.97268 7.00978 2.47701 -179.75700 739.23612
4125.0000 -187.48943 -180.74179 6.74764 2.42828 -180.63135 713.62901
4130.0000 -189.24211 -181.54031 7.70180 2.41367 -180.89348 711.84682
4135.0000 -188.21397 -181.57764 6.63633 2.36313 -181.80023 677.10888
4140.0000 -187.25851 -180.64345 6.61506 2.39819 -181.17118 697.90597
4145.0000 -187.62947 -180.64435 6.98512 2.41029 -180.95402 700.84249
4150.0000 -187.93733 -180.52119 7.41614 2.44280 -180.37078 736.31646
4155.0000 -187.66731 -180.51372 7.15359 2.40915 -180.97461 693.78152
4160.0000 -187.13706 -181.09976 6.03730 2.40011 -181.13678 680.68797
4165.0000 -187.80517 -181.16502 6.64015 2.44086 -180.40557 722.98216
4170.0000 -186.44745 -179.49143 6.95602 2.42356 -180.71595 714.12273
4175.0000 -188.60339 -181.92109 6.68230 2.44954 -180.24984 715.86385
4180.0000 -188.72475 -181.95405 6.77071 2.36812 -181.71067 675.61882
4185.0000 -188.50595 -181.70864 6.79730 2.34731 -182.08405 650.27278
4190.0000 -188.08819 -180.90683 7.18135 2.38121 -181.47584 673.47325
4195.0000 -185.88940 -179.18579 6.70361 2.44977 -180.24574 725.13241
4200.0000 -187.24396 -179.06925 8.17472 2.51260 -179.11846 769.82365
4205.0000 -188.15498 -179.75650 8.39848 2.47024 -179.87851 759.84043
4210.0000 -188.40660 -180.44191 7.96469 2.46963 -179.88947 727.41474
4215.0000 -186.96102 -179.43525 7.52576 2.49002 -179.52359 763.39446
4220.0000 -187.14649 -179.50220 7.64429 2.49353 -179.46058 745.41202
4225.0000 -187.68902 -180.14038 7.54864 2.47523 -179.78895 734.35221
4230.0000 -186.64828 -179.05450 7.59378 2.49267 -179.47605 759.46677
4235.0000 -186.61742 -179.49483 7.12258 2.53048 -178.79765 779.83837
4240.0000 -187.96357 -182.04723 5.91635 2.44051 -180.41183 725.26426
4245.0000 -187.94689 -181.55682 6.39007 2.38104 -181.47896 692.51832
4250.0000 -187.51024 -180.98918 6.52106 2.38218 -181.45841 689.72449
FREEZING PROCESS: loop number 18 T-loop= 681.00000000000000
main_MD> interactions number 18 at Temperature= 681.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20894 0.49513 1.98800
force_rgl> df(natom) 0.77225 1.08117 -0.31249
4255.0000 -187.40253 -181.40373 5.99880 2.37201 -181.64099 679.19763
4260.0000 -187.40436 -180.16447 7.23990 2.45020 -180.23802 747.44135
4265.0000 -187.89404 -182.08422 5.80983 2.41655 -180.84173 731.60007
4270.0000 -188.66658 -181.25714 7.40944 2.34160 -182.18656 652.95629
4275.0000 -187.82494 -181.05738 6.76756 2.39038 -181.31135 679.98137
4280.0000 -188.02395 -181.52515 6.49880 2.36814 -181.71031 657.53112
4285.0000 -187.43015 -180.51566 6.91449 2.38700 -181.37191 671.09440
4290.0000 -187.48308 -181.24457 6.23851 2.41180 -180.92703 691.99545
4295.0000 -188.77262 -181.41840 7.35422 2.36593 -181.74995 659.73518
4300.0000 -187.31343 -181.50356 5.80988 2.37983 -181.50069 697.07772
4305.0000 -189.15562 -182.52462 6.63099 2.37995 -181.49854 665.85503
4310.0000 -189.12384 -182.37892 6.74493 2.31917 -182.58901 637.84121
4315.0000 -189.08272 -181.52775 7.55497 2.35080 -182.02150 674.09063
4320.0000 -188.40638 -181.12428 7.28210 2.38252 -181.45231 677.09317
4325.0000 -188.55993 -182.81969 5.74024 2.36461 -181.77377 671.05641
4330.0000 -188.64476 -181.74274 6.90202 2.33216 -182.35595 638.10422
4335.0000 -188.18985 -181.43207 6.75777 2.43409 -180.52708 698.91712
4340.0000 -187.16059 -180.28131 6.87928 2.42310 -180.72430 710.32682
4345.0000 -185.71869 -179.09428 6.62440 2.49626 -179.41152 753.33498
4350.0000 -187.52538 -179.99525 7.53013 2.51345 -179.10324 781.14258
4355.0000 -187.29765 -180.54014 6.75751 2.43411 -180.52679 714.55852
4360.0000 -187.59589 -181.61800 5.97789 2.41675 -180.83820 720.08198
4365.0000 -187.91402 -181.11866 6.79536 2.38766 -181.36007 692.20425
4370.0000 -187.48443 -181.46252 6.02191 2.37440 -181.59812 689.20220
4375.0000 -188.38160 -182.40882 5.97278 2.37665 -181.55762 674.20136
4380.0000 -188.69818 -181.46739 7.23079 2.34170 -182.18483 638.84270
4385.0000 -189.10205 -182.09036 7.01169 2.39150 -181.29127 705.48785
4390.0000 -188.93122 -181.78270 7.14852 2.35873 -181.87917 672.69493
4395.0000 -188.26045 -181.09920 7.16124 2.41220 -180.91977 697.15597
4400.0000 -187.20346 -180.48252 6.72094 2.44642 -180.30592 719.28099
4405.0000 -187.71846 -181.44610 6.27236 2.39869 -181.16219 695.49180
4410.0000 -188.36231 -182.46594 5.89637 2.33769 -182.25665 658.44782
4415.0000 -188.25629 -181.95301 6.30328 2.34643 -182.09995 656.32336
4420.0000 -189.95932 -182.71206 7.24726 2.32391 -182.50402 655.15344
4425.0000 -188.44872 -182.66808 5.78064 2.29898 -182.95123 620.06662
4430.0000 -189.51944 -182.71102 6.80842 2.35411 -181.96201 650.72529
4435.0000 -189.11770 -184.03516 5.08253 2.28631 -183.17853 635.96574
4440.0000 -188.29543 -181.67189 6.62354 2.30717 -182.80425 630.20784
4445.0000 -188.41490 -182.62894 5.78596 2.36420 -181.78106 664.25730
4450.0000 -188.64608 -181.92353 6.72255 2.31154 -182.72594 649.51448
4455.0000 -188.94221 -181.90538 7.03683 2.38228 -181.45673 669.11570
4460.0000 -189.42743 -183.90853 5.51889 2.28966 -183.11849 622.37096
4465.0000 -189.62599 -183.06583 6.56016 2.24291 -183.95730 610.55120
4470.0000 -188.46126 -181.78524 6.67603 2.31545 -182.65567 665.48080
4475.0000 -188.54409 -182.01664 6.52745 2.35170 -182.00533 670.84963
4480.0000 -188.89075 -182.17692 6.71383 2.35040 -182.02870 648.87942
4485.0000 -187.81330 -181.95917 5.85413 2.34304 -182.16066 656.47569
4490.0000 -188.57078 -182.82012 5.75066 2.33521 -182.30120 628.71313
4495.0000 -188.50406 -182.48769 6.01637 2.31514 -182.66126 629.17299
4500.0000 -187.84334 -181.37358 6.46975 2.35280 -181.98557 666.91867
FREEZING PROCESS: loop number 19 T-loop= 656.00000000000000
main_MD> interactions number 19 at Temperature= 656.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00466 -1.06966 -0.57037
force_rgl> df(natom) 1.51227 2.63470 0.96074
4505.0000 -189.07530 -182.50760 6.56771 2.36486 -181.76927 686.14365
4510.0000 -188.21436 -182.37441 5.83994 2.33320 -182.33717 643.80497
4515.0000 -187.85811 -180.57671 7.28140 2.40479 -181.05274 685.94560
4520.0000 -187.71535 -179.78933 7.92602 2.48655 -179.58576 744.47737
4525.0000 -188.58609 -181.37791 7.20818 2.40893 -180.97844 702.63871
4530.0000 -188.16806 -180.49355 7.67451 2.38578 -181.39388 698.51552
4535.0000 -186.92884 -180.54049 6.38835 2.41352 -180.89614 688.54874
4540.0000 -188.33995 -181.97763 6.36232 2.41575 -180.85620 691.70925
4545.0000 -188.72894 -181.97436 6.75458 2.35777 -181.89649 648.06742
4550.0000 -188.46886 -181.45366 7.01520 2.31495 -182.66468 654.37166
4555.0000 -187.04408 -181.27160 5.77248 2.39196 -181.28295 701.44153
4560.0000 -188.73241 -182.51911 6.21330 2.35435 -181.95784 672.47662
4565.0000 -188.14605 -182.05694 6.08911 2.31178 -182.72151 641.12039
4570.0000 -188.77268 -182.21339 6.55929 2.38574 -181.39453 680.36247
4575.0000 -188.95626 -183.02867 5.92759 2.32845 -182.42256 642.30435
4580.0000 -189.70991 -183.35259 6.35732 2.29439 -183.03351 634.74510
4585.0000 -188.23049 -181.64655 6.58394 2.32454 -182.49272 630.78924
4590.0000 -187.75691 -182.00629 5.75061 2.35400 -181.96397 651.58059
4595.0000 -188.36542 -182.88736 5.47806 2.32638 -182.45964 614.25999
4600.0000 -188.98389 -182.11047 6.87342 2.33468 -182.31066 631.28680
4605.0000 -188.05185 -181.32633 6.72552 2.38255 -181.45180 673.56064
4610.0000 -187.48469 -182.22151 5.26318 2.33212 -182.35669 635.15861
4615.0000 -189.06105 -182.96257 6.09848 2.33942 -182.22572 668.57569
4620.0000 -188.47025 -181.68661 6.78363 2.34271 -182.16661 641.71113
4625.0000 -188.04093 -181.33527 6.70566 2.39261 -181.27132 699.74110
4630.0000 -187.97388 -181.19935 6.77453 2.36391 -181.78633 679.10299
4635.0000 -190.08052 -183.18176 6.89877 2.33203 -182.35818 665.78784
4640.0000 -188.85286 -182.01427 6.83859 2.28916 -183.12740 627.02067
4645.0000 -188.99453 -183.38287 5.61166 2.34632 -182.10191 648.81394
4650.0000 -188.83075 -182.14769 6.68306 2.31731 -182.62228 641.33429
4655.0000 -187.72708 -180.88620 6.84088 2.37438 -181.59837 669.47347
4660.0000 -188.15516 -182.70672 5.44844 2.36295 -181.80353 651.40635
4665.0000 -189.47044 -182.56127 6.90916 2.32799 -182.43079 625.83175
4670.0000 -188.44973 -182.24388 6.20585 2.36968 -181.68279 691.95359
4675.0000 -187.92146 -181.12814 6.79332 2.36120 -181.83494 663.74522
4680.0000 -188.60189 -181.89478 6.70710 2.35847 -181.88380 671.54740
4685.0000 -188.84869 -182.14313 6.70556 2.35876 -181.87868 660.05989
4690.0000 -188.06987 -181.39037 6.67950 2.35022 -182.03192 677.21009
4695.0000 -188.06387 -181.37097 6.69289 2.38600 -181.38989 691.28620
4700.0000 -188.19285 -182.69931 5.49354 2.34964 -182.04222 651.35678
4705.0000 -189.69284 -183.76114 5.93170 2.28237 -183.24930 619.27666
4710.0000 -188.56196 -181.75021 6.81175 2.31712 -182.62578 622.33958
4715.0000 -188.75591 -181.81342 6.94249 2.37265 -181.62937 680.51660
4720.0000 -187.88962 -181.25587 6.63375 2.36874 -181.69964 675.17610
4725.0000 -188.26210 -180.35528 7.90682 2.42615 -180.66944 734.15883
4730.0000 -189.10306 -183.09356 6.00949 2.35864 -181.88075 668.59950
4735.0000 -188.56819 -181.48280 7.08539 2.33312 -182.33868 648.18570
4740.0000 -189.26986 -182.19398 7.07589 2.36770 -181.71828 674.38611
4745.0000 -188.54248 -181.47468 7.06780 2.32582 -182.46975 657.51854
4750.0000 -188.38935 -182.08652 6.30283 2.36713 -181.72847 677.28690
FREEZING PROCESS: loop number 20 T-loop= 631.00000000000000
main_MD> interactions number 20 at Temperature= 631.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26883 -2.12804 0.63884
force_rgl> df(natom) 1.83181 0.82366 -0.06266
4755.0000 -188.47293 -181.85889 6.61404 2.32566 -182.47262 649.45290
4760.0000 -188.69461 -182.95852 5.73609 2.34662 -182.09655 657.62924
4765.0000 -189.32635 -183.53257 5.79377 2.26696 -183.52576 614.41739
4770.0000 -189.11782 -183.62965 5.48817 2.25535 -183.73399 620.43485
4775.0000 -189.25288 -181.76588 7.48701 2.28398 -183.22044 623.10138
4780.0000 -188.94051 -181.21431 7.72620 2.36516 -181.76376 681.82427
4785.0000 -188.34930 -182.78987 5.55943 2.31529 -182.65862 649.81030
4790.0000 -189.25614 -183.37152 5.88462 2.28355 -183.22803 605.11404
4795.0000 -189.54886 -183.07049 6.47837 2.30600 -182.82534 637.14807
4800.0000 -190.08560 -183.43475 6.65085 2.28117 -183.27075 636.46911
4805.0000 -189.55726 -183.67535 5.88191 2.25479 -183.74419 619.41202
4810.0000 -189.21242 -184.02871 5.18372 2.28074 -183.27851 639.87250
4815.0000 -189.75564 -182.80779 6.94785 2.31493 -182.66501 674.65213
4820.0000 -189.78169 -183.70577 6.07592 2.31175 -182.72206 634.29629
4825.0000 -189.61712 -183.39184 6.22528 2.28355 -183.22809 629.49620
4830.0000 -189.75641 -183.73016 6.02624 2.28832 -183.14248 638.59600
4835.0000 -189.15541 -183.25848 5.89692 2.28068 -183.27965 642.18932
4840.0000 -188.34065 -181.17755 7.16310 2.34380 -182.14700 667.57392
4845.0000 -188.63841 -181.80101 6.83740 2.36092 -181.83996 673.20306
4850.0000 -187.40960 -180.05902 7.35058 2.39602 -181.21016 695.88716
4855.0000 -189.87111 -183.94232 5.92878 2.32423 -182.49823 631.44927
4860.0000 -189.36357 -183.41880 5.94476 2.25369 -183.76378 591.02464
4865.0000 -188.96904 -182.17124 6.79781 2.31086 -182.73816 631.75912
4870.0000 -187.31917 -180.94191 6.37726 2.35841 -181.88491 650.02306
4875.0000 -188.58582 -182.04879 6.53703 2.34374 -182.14813 673.58530
4880.0000 -189.25406 -181.89981 7.35425 2.34649 -182.09876 655.28460
4885.0000 -189.14904 -182.10362 7.04542 2.31690 -182.62965 631.38144
4890.0000 -188.39896 -183.21361 5.18536 2.33024 -182.39039 640.71760
4895.0000 -189.82996 -183.64196 6.18800 2.26295 -183.59768 601.69853
4900.0000 -189.22725 -183.31440 5.91285 2.29074 -183.09903 607.41246
4905.0000 -190.21454 -184.05332 6.16122 2.26993 -183.47241 616.02520
4910.0000 -190.99330 -186.14168 4.85162 2.16509 -185.35359 538.43286
4915.0000 -189.77144 -183.57869 6.19275 2.21602 -184.43981 562.32288
4920.0000 -189.17104 -183.71303 5.45801 2.23170 -184.15832 579.66063
4925.0000 -188.34737 -182.36872 5.97865 2.26872 -183.49413 615.03533
4930.0000 -188.97886 -182.81379 6.16506 2.34888 -182.05596 655.68794
4935.0000 -187.67394 -182.32582 5.34812 2.35151 -182.00875 673.41375
4940.0000 -188.99288 -181.90239 7.09049 2.32443 -182.49463 645.03487
4945.0000 -188.40950 -182.06871 6.34079 2.33082 -182.37990 658.43083
4950.0000 -189.29817 -182.97641 6.32176 2.34489 -182.12759 665.38272
4955.0000 -188.30279 -180.78680 7.51599 2.36605 -181.74789 703.17660
4960.0000 -187.92896 -180.75453 7.17443 2.41213 -180.92105 722.54354
4965.0000 -188.37826 -182.12305 6.25521 2.39356 -181.25419 694.36156
4970.0000 -190.22410 -184.04095 6.18315 2.29780 -182.97242 633.25482
4975.0000 -189.93449 -184.37683 5.55766 2.25153 -183.80254 591.08504
4980.0000 -189.77520 -182.50037 7.27483 2.26482 -183.56407 608.01513
4985.0000 -189.91165 -183.21599 6.69566 2.27828 -183.32258 629.22956
4990.0000 -189.31053 -182.61466 6.69587 2.26584 -183.54591 630.67685
4995.0000 -188.18726 -182.96840 5.21886 2.28335 -183.23170 624.34279
5000.0000 -190.15329 -183.45335 6.69994 2.32527 -182.47953 633.94909
FREEZING PROCESS: loop number 21 T-loop= 606.00000000000000
main_MD> interactions number 21 at Temperature= 606.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60949 1.27777 -0.49811
force_rgl> df(natom) -0.88415 -0.33418 -0.19130
5005.0000 -188.42364 -182.31031 6.11333 2.29840 -182.96164 609.51717
5010.0000 -188.18936 -182.67164 5.51773 2.30939 -182.76449 600.32080
5015.0000 -189.24155 -181.63123 7.61032 2.34761 -182.07866 658.87780
5020.0000 -188.96930 -182.42071 6.54860 2.33909 -182.23155 663.91345
5025.0000 -188.45715 -183.23230 5.22485 2.30124 -182.91063 640.93845
5030.0000 -188.99020 -182.93662 6.05358 2.33989 -182.21723 673.89847
5035.0000 -188.78457 -182.73749 6.04708 2.30558 -182.83278 621.39544
5040.0000 -188.44929 -183.09136 5.35794 2.28327 -183.23303 607.63424
5045.0000 -189.87264 -183.16994 6.70270 2.29894 -182.95200 597.34756
5050.0000 -189.90691 -183.37438 6.53253 2.32180 -182.54179 643.09406
5055.0000 -189.17293 -182.32770 6.84523 2.28950 -183.12138 626.32932
5060.0000 -190.59059 -184.17349 6.41710 2.29571 -183.00985 643.09175
5065.0000 -189.54067 -183.96364 5.57703 2.25987 -183.65294 629.56354
5070.0000 -188.92607 -183.31383 5.61224 2.27235 -183.42903 618.59263
5075.0000 -188.77201 -182.85814 5.91387 2.29397 -183.04121 621.86504
5080.0000 -189.64814 -182.98957 6.65857 2.32179 -182.54201 659.54600
5085.0000 -190.30621 -184.23981 6.06640 2.28756 -183.15620 636.32702
5090.0000 -191.02902 -184.75465 6.27438 2.21698 -184.42252 608.46459
5095.0000 -189.79709 -184.37806 5.41903 2.21819 -184.40075 591.79566
5100.0000 -190.91494 -185.48406 5.43088 2.18164 -185.05651 557.05318
5105.0000 -190.20542 -183.97800 6.22742 2.24404 -183.93694 615.98749
5110.0000 -189.95397 -185.00035 4.95362 2.22388 -184.29866 611.45939
5115.0000 -189.46110 -184.72856 4.73255 2.22676 -184.24697 591.15177
5120.0000 -188.39857 -182.31154 6.08703 2.23583 -184.08424 596.15567
5125.0000 -190.08391 -183.27189 6.81201 2.30801 -182.78926 646.95421
5130.0000 -188.80364 -182.80858 5.99506 2.32406 -182.50125 665.34408
5135.0000 -190.48878 -185.03406 5.45473 2.24615 -183.89904 617.26343
5140.0000 -190.08442 -185.02833 5.05609 2.17522 -185.17185 607.76057
5145.0000 -190.39235 -184.29641 6.09595 2.22935 -184.20054 625.32482
5150.0000 -189.45426 -184.16579 5.28847 2.23460 -184.10638 602.47169
5155.0000 -189.52682 -183.24462 6.28220 2.25525 -183.73579 607.92246
5160.0000 -189.91754 -183.91579 6.00175 2.25625 -183.71786 607.36986
5165.0000 -189.69365 -183.35529 6.33836 2.23161 -184.16004 574.21861
5170.0000 -189.79083 -183.60906 6.18178 2.27174 -183.44007 607.82443
5175.0000 -189.75563 -184.35848 5.39715 2.22762 -184.23166 580.38162
5180.0000 -189.89136 -184.62546 5.26589 2.19448 -184.82616 568.67314
5185.0000 -189.99217 -184.74791 5.24426 2.20810 -184.58184 584.12357
5190.0000 -190.89349 -186.00439 4.88911 2.20112 -184.70701 564.02011
5195.0000 -190.52857 -185.11781 5.41077 2.17645 -185.14967 553.06531
5200.0000 -190.25556 -184.35277 5.90279 2.16177 -185.41305 550.04105
5205.0000 -190.31751 -184.25346 6.06405 2.23761 -184.05230 606.15248
5210.0000 -189.66238 -183.52901 6.13337 2.23621 -184.07751 605.15331
5215.0000 -188.92276 -183.45789 5.46488 2.26088 -183.63487 607.13297
5220.0000 -188.67151 -183.45997 5.21153 2.27170 -183.44068 613.62404
5225.0000 -188.72725 -183.17912 5.54814 2.28473 -183.20685 608.27853
5230.0000 -189.11160 -183.26710 5.84450 2.30064 -182.92152 622.79365
5235.0000 -189.26616 -183.54160 5.72456 2.27596 -183.36431 626.76523
5240.0000 -190.46871 -184.28752 6.18119 2.25922 -183.66469 621.55394
5245.0000 -188.85869 -183.03941 5.81928 2.24975 -183.83445 584.88163
5250.0000 -189.03746 -183.33216 5.70530 2.32445 -182.49424 655.00768
FREEZING PROCESS: loop number 22 T-loop= 581.00000000000000
main_MD> interactions number 22 at Temperature= 581.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42741 1.03465 -0.98839
force_rgl> df(natom) -1.06070 -0.60558 -4.91312
5255.0000 -189.91192 -184.53013 5.38178 2.22891 -184.20850 582.55041
5260.0000 -188.82832 -183.67635 5.15196 2.27055 -183.46130 603.99639
5265.0000 -188.47051 -182.18478 6.28573 2.27641 -183.35611 603.37308
5270.0000 -189.87783 -184.20706 5.67077 2.30512 -182.84104 643.53303
5275.0000 -190.05716 -184.01705 6.04011 2.23472 -184.10427 563.67652
5280.0000 -190.24746 -184.66878 5.57867 2.19367 -184.84073 560.21341
5285.0000 -190.67071 -185.31206 5.35866 2.17178 -185.23354 534.40458
5290.0000 -190.40294 -184.82919 5.57374 2.22075 -184.35483 584.30673
5295.0000 -190.16491 -183.60101 6.56389 2.23196 -184.15369 579.13623
5300.0000 -189.62036 -184.16006 5.46031 2.21498 -184.45835 579.81898
5305.0000 -190.45721 -183.36745 7.08976 2.26466 -183.56706 598.50991
5310.0000 -190.63722 -184.70740 5.92982 2.22156 -184.34034 605.81796
5315.0000 -190.21063 -184.28731 5.92331 2.22272 -184.31951 589.13626
5320.0000 -189.34730 -183.26621 6.08109 2.22446 -184.28821 578.16257
5325.0000 -189.09998 -183.28090 5.81908 2.27369 -183.40504 593.29022
5330.0000 -189.96459 -184.29600 5.66859 2.24469 -183.92537 597.88729
5335.0000 -191.40315 -185.60977 5.79339 2.19696 -184.78173 588.02034
5340.0000 -191.13774 -186.21896 4.91878 2.14623 -185.69189 535.90613
5345.0000 -191.33557 -186.01246 5.32311 2.12430 -186.08538 523.17749
5350.0000 -190.62501 -184.73282 5.89219 2.17276 -185.21582 562.98827
5355.0000 -189.01825 -183.93312 5.08514 2.25029 -183.82484 598.64021
5360.0000 -189.70312 -184.40386 5.29926 2.21905 -184.38534 604.12659
5365.0000 -191.01590 -185.83978 5.17613 2.15627 -185.51170 551.87056
5370.0000 -191.48368 -185.32164 6.16203 2.15242 -185.58080 553.99334
5375.0000 -191.26837 -184.93604 6.33232 2.14956 -185.63220 566.93531
5380.0000 -189.29393 -184.25059 5.04335 2.19648 -184.79026 580.46128
5385.0000 -189.68956 -184.14350 5.54607 2.24237 -183.96701 616.96434
5390.0000 -190.21256 -184.83790 5.37466 2.20718 -184.59841 592.70516
5395.0000 -189.35082 -183.48192 5.86890 2.23489 -184.10111 581.35569
5400.0000 -190.23834 -184.46352 5.77482 2.22931 -184.20120 582.52366
5405.0000 -191.27180 -186.53893 4.73287 2.15489 -185.53654 556.40372
5410.0000 -191.01747 -185.97070 5.04677 2.08614 -186.77011 486.65971
5415.0000 -191.55766 -185.61283 5.94483 2.12440 -186.08354 506.28703
5420.0000 -189.26521 -183.88337 5.38184 2.20906 -184.56460 552.22961
5425.0000 -188.97452 -183.46232 5.51221 2.27297 -183.41798 590.68285
5430.0000 -188.93297 -182.94073 5.99225 2.28120 -183.27029 595.11502
5435.0000 -189.19362 -182.83295 6.36068 2.29507 -183.02131 628.64629
5440.0000 -189.60542 -182.55019 7.05523 2.29822 -182.96489 621.10682
5445.0000 -188.44076 -182.23349 6.20728 2.33792 -182.25254 641.37641
5450.0000 -189.03721 -183.44900 5.58821 2.25071 -183.81730 585.16698
5455.0000 -190.20686 -183.74962 6.45725 2.24315 -183.95297 591.52828
5460.0000 -189.14734 -182.91598 6.23136 2.27744 -183.33778 631.47252
5465.0000 -188.66597 -183.04284 5.62313 2.28194 -183.25690 627.90276
5470.0000 -190.21841 -184.60311 5.61530 2.24848 -183.85740 597.23894
5475.0000 -189.47284 -184.27934 5.19350 2.21996 -184.36903 588.95547
5480.0000 -189.68153 -184.71618 4.96534 2.24215 -183.97089 591.61113
5485.0000 -190.11011 -183.67535 6.43476 2.22517 -184.27548 578.62612
5490.0000 -190.26138 -185.25325 5.00813 2.21939 -184.37926 554.17943
5495.0000 -190.10325 -183.87690 6.22636 2.20972 -184.55277 567.59052
5500.0000 -189.28551 -183.09879 6.18672 2.26940 -183.48205 614.39222
FREEZING PROCESS: loop number 23 T-loop= 556.00000000000000
main_MD> interactions number 23 at Temperature= 556.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83488 -0.59182 -1.28573
force_rgl> df(natom) -0.89983 -3.56759 2.35386
5505.0000 -190.70035 -185.04842 5.65193 2.20522 -184.63344 571.33092
5510.0000 -190.46777 -185.39209 5.07568 2.15991 -185.44639 533.35626
5515.0000 -190.04918 -184.15253 5.89665 2.19241 -184.86330 557.52266
5520.0000 -190.89517 -185.65868 5.23648 2.20414 -184.65296 544.38078
5525.0000 -190.95780 -184.81475 6.14305 2.16717 -185.31613 558.70926
5530.0000 -190.22752 -184.66769 5.55984 2.18485 -184.99898 572.10523
5535.0000 -191.19892 -186.16918 5.02974 2.16715 -185.31655 559.75012
5540.0000 -190.83338 -185.37004 5.46334 2.13285 -185.93199 530.07027
5545.0000 -190.23933 -184.76859 5.47074 2.17273 -185.21639 556.98775
5550.0000 -191.33113 -185.63847 5.69266 2.16112 -185.42479 561.36227
5555.0000 -190.04611 -184.79640 5.24971 2.20443 -184.64776 579.11422
5560.0000 -191.08471 -185.53155 5.55316 2.16441 -185.36569 528.82629
5565.0000 -191.40193 -185.33635 6.06558 2.15794 -185.48187 546.02758
5570.0000 -191.05626 -186.42117 4.63509 2.15093 -185.60759 541.81359
5575.0000 -191.48212 -187.43381 4.04831 2.11719 -186.21296 510.30410
5580.0000 -191.17838 -186.72365 4.45472 2.07399 -186.98803 475.87324
5585.0000 -190.54573 -185.31031 5.23542 2.11991 -186.16422 507.86381
5590.0000 -191.41944 -185.19658 6.22286 2.18189 -185.05216 579.30678
5595.0000 -189.83018 -184.42996 5.40021 2.16966 -185.27150 560.66650
5600.0000 -190.18097 -184.68904 5.49193 2.20857 -184.57343 597.93555
5605.0000 -191.46829 -186.45263 5.01565 2.19443 -184.82715 563.42625
5610.0000 -191.80499 -186.81145 4.99354 2.09628 -186.58814 517.62827
5615.0000 -191.21345 -186.11338 5.10007 2.11113 -186.32175 513.01092
5620.0000 -190.29225 -184.22182 6.07043 2.14990 -185.62605 526.85916
5625.0000 -190.88848 -186.34739 4.54109 2.16429 -185.36784 535.31400
5630.0000 -190.14646 -185.29744 4.84903 2.14369 -185.73744 517.04042
5635.0000 -189.09698 -182.80914 6.28783 2.22121 -184.34667 567.83672
5640.0000 -189.98710 -185.03163 4.95547 2.24603 -183.90125 590.45668
5645.0000 -190.23221 -184.68282 5.54939 2.18575 -184.98285 569.47364
5650.0000 -190.41980 -185.44325 4.97656 2.18232 -185.04438 575.38973
5655.0000 -191.53598 -186.16315 5.37283 2.14526 -185.70927 527.16352
5660.0000 -190.28903 -184.43555 5.85347 2.17207 -185.22828 556.34889
5665.0000 -191.00287 -185.88301 5.11987 2.17775 -185.12630 546.28783
5670.0000 -191.87270 -186.17243 5.70026 2.10529 -186.42639 519.45521
5675.0000 -191.29194 -185.73947 5.55247 2.13814 -185.83697 551.69177
5680.0000 -190.27246 -184.33785 5.93461 2.18652 -184.96896 562.33635
5685.0000 -190.25389 -185.31766 4.93624 2.18652 -184.96910 579.62709
5690.0000 -191.80821 -185.98003 5.82818 2.14351 -185.74079 551.91954
5695.0000 -190.70970 -184.91309 5.79661 2.16193 -185.41030 583.68973
5700.0000 -190.26041 -185.58368 4.67674 2.16122 -185.42294 584.00877
5705.0000 -191.72293 -186.24296 5.47997 2.13649 -185.86670 563.75934
5710.0000 -189.43219 -185.23913 4.19306 2.13599 -185.87564 570.73912
5715.0000 -190.70574 -184.68865 6.01709 2.18052 -185.07663 578.99660
5720.0000 -191.02841 -185.61965 5.40876 2.15310 -185.56864 561.42076
5725.0000 -190.83373 -185.48469 5.34904 2.17884 -185.10676 577.08062
5730.0000 -190.28818 -185.03396 5.25422 2.14804 -185.65936 557.18190
5735.0000 -190.64825 -185.27228 5.37597 2.18427 -185.00939 555.95097
5740.0000 -190.24063 -184.75518 5.48545 2.18668 -184.96617 554.48527
5745.0000 -189.73847 -185.30600 4.43247 2.17383 -185.19672 547.79741
5750.0000 -190.98365 -185.64690 5.33674 2.16966 -185.27152 555.59560
FREEZING PROCESS: loop number 24 T-loop= 531.00000000000000
main_MD> interactions number 24 at Temperature= 531.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.21221 0.42830 0.45256
force_rgl> df(natom) 1.23466 1.20328 3.35417
5755.0000 -191.03297 -186.24715 4.78581 2.12965 -185.98944 528.52165
5760.0000 -191.98785 -187.00651 4.98134 2.08633 -186.76662 480.63705
5765.0000 -191.25288 -186.15087 5.10201 2.10710 -186.39391 513.24653
5770.0000 -191.82327 -186.82045 5.00283 2.09880 -186.54291 506.88641
5775.0000 -191.02615 -185.50111 5.52504 2.12195 -186.12755 519.89724
5780.0000 -190.36912 -185.38193 4.98719 2.15184 -185.59124 547.81652
5785.0000 -190.69978 -185.14367 5.55611 2.15750 -185.48971 535.01857
5790.0000 -191.00262 -186.14935 4.85327 2.15042 -185.61677 544.61658
5795.0000 -190.45974 -185.64781 4.81193 2.12493 -186.07413 501.63198
5800.0000 -191.73784 -186.38282 5.35502 2.14654 -185.68629 540.43084
5805.0000 -190.74012 -185.57764 5.16248 2.15282 -185.57376 538.80432
5810.0000 -190.60761 -185.50192 5.10569 2.15468 -185.54028 518.16793
5815.0000 -189.59407 -184.20946 5.38462 2.20262 -184.68007 561.47551
5820.0000 -190.12583 -184.78919 5.33664 2.22608 -184.25914 564.91096
5825.0000 -190.62915 -184.85631 5.77284 2.18388 -185.01642 541.99884
5830.0000 -190.92014 -185.77327 5.14687 2.17150 -185.23848 537.36431
5835.0000 -190.44830 -185.14443 5.30387 2.12685 -186.03967 512.06025
5840.0000 -191.86223 -186.03067 5.83155 2.16536 -185.34875 547.68735
5845.0000 -192.30437 -187.69746 4.60691 2.08594 -186.77368 493.64201
5850.0000 -192.81315 -187.46305 5.35010 2.06676 -187.11784 484.95745
5855.0000 -191.35154 -186.68438 4.66716 2.11152 -186.31476 521.93222
5860.0000 -192.05147 -186.50750 5.54397 2.10301 -186.46734 516.89317
5865.0000 -190.84217 -185.77316 5.06901 2.14662 -185.68488 534.16236
5870.0000 -191.29618 -186.25845 5.03773 2.11618 -186.23106 525.93791
5875.0000 -192.49375 -188.31380 4.17995 2.04566 -187.49637 499.07419
5880.0000 -192.41484 -188.24112 4.17371 2.00462 -188.23275 469.95934
5885.0000 -191.93590 -186.71080 5.22510 2.07199 -187.02394 517.97156
5890.0000 -191.83107 -186.22955 5.60152 2.10481 -186.43504 543.69543
5895.0000 -192.03866 -186.91901 5.11965 2.05958 -187.24658 515.87887
5900.0000 -193.21575 -187.25498 5.96077 2.08794 -186.73771 545.37027
5905.0000 -191.05911 -186.08531 4.97380 2.08024 -186.87599 543.64893
5910.0000 -192.27230 -186.68141 5.59089 2.11240 -186.29885 571.34004
5915.0000 -192.36162 -187.12642 5.23521 2.09023 -186.69662 536.08055
5920.0000 -191.82130 -186.08718 5.73412 2.08603 -186.77212 531.03238
5925.0000 -192.10190 -186.34658 5.75532 2.12720 -186.03326 535.79517
5930.0000 -190.98571 -185.58638 5.39934 2.14992 -185.62578 557.03601
5935.0000 -191.96660 -186.75086 5.21574 2.12925 -185.99649 540.61090
5940.0000 -191.84778 -186.42024 5.42754 2.06838 -187.08872 504.34618
5945.0000 -191.62083 -186.71131 4.90952 2.06935 -187.07125 489.04641
5950.0000 -191.25210 -186.22701 5.02508 2.12425 -186.08625 559.08937
5955.0000 -192.42410 -186.77319 5.65090 2.09946 -186.53102 530.74554
5960.0000 -191.51490 -186.03467 5.48022 2.09400 -186.62906 521.20819
5965.0000 -190.35175 -185.66763 4.68412 2.14942 -185.63466 537.14693
5970.0000 -191.42928 -186.36515 5.06413 2.13499 -185.89365 512.53143
5975.0000 -191.56509 -186.40266 5.16243 2.10010 -186.51965 524.98801
5980.0000 -191.71294 -186.45680 5.25614 2.11262 -186.29495 554.82151
5985.0000 -191.48416 -185.59711 5.88704 2.13351 -185.92020 562.41728
5990.0000 -191.62145 -186.68050 4.94096 2.12404 -186.09007 535.51157
5995.0000 -191.72754 -186.33983 5.38772 2.11767 -186.20441 532.20871
6000.0000 -190.74393 -185.44672 5.29721 2.14270 -185.75528 548.57324
FREEZING PROCESS: loop number 25 T-loop= 506.00000000000000
main_MD> interactions number 25 at Temperature= 506.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92199 1.58022 1.81359
force_rgl> df(natom) -0.18943 -0.41551 3.56323
6005.0000 -192.42598 -187.45856 4.96742 2.08513 -186.78823 495.14994
6010.0000 -191.34127 -186.21783 5.12344 2.07744 -186.92623 499.39115
6015.0000 -191.42556 -186.20255 5.22300 2.08787 -186.73906 502.63167
6020.0000 -191.28089 -186.01886 5.26203 2.14552 -185.70471 533.92884
6025.0000 -191.11690 -186.04469 5.07221 2.14003 -185.80308 524.55073
6030.0000 -190.86847 -186.60167 4.26680 2.09026 -186.69609 488.71509
6035.0000 -191.29562 -186.22342 5.07220 2.07780 -186.91978 467.05230
6040.0000 -191.16547 -186.27742 4.88805 2.13250 -185.93825 521.40267
6045.0000 -191.60629 -186.72088 4.88541 2.12155 -186.13470 517.75936
6050.0000 -191.54328 -186.53591 5.00737 2.09494 -186.61220 487.89440
6055.0000 -190.83745 -186.07535 4.76210 2.11131 -186.31842 510.65040
6060.0000 -191.05705 -185.79062 5.26642 2.11711 -186.21432 521.23637
6065.0000 -191.19525 -185.86936 5.32589 2.11479 -186.25610 535.94968
6070.0000 -191.74252 -186.69377 5.04875 2.10426 -186.44491 504.17336
6075.0000 -191.79519 -185.88419 5.91100 2.10620 -186.41011 540.86219
6080.0000 -192.81173 -187.66101 5.15072 2.06991 -187.06129 520.78641
6085.0000 -192.14373 -187.27765 4.86608 2.05272 -187.36966 495.63303
6090.0000 -192.30500 -187.00334 5.30166 2.08206 -186.84326 506.73071
6095.0000 -191.82505 -186.90366 4.92139 2.09413 -186.62666 509.35361
6100.0000 -192.82271 -188.36256 4.46016 2.04944 -187.42853 494.26808
6105.0000 -192.11933 -187.72451 4.39483 2.02962 -187.78409 483.59063
6110.0000 -192.12865 -188.09078 4.03787 2.06360 -187.17445 513.81028
6115.0000 -192.07114 -187.14011 4.93103 2.03763 -187.64051 469.99988
6120.0000 -191.75337 -186.33950 5.41387 2.09082 -186.68615 516.87784
6125.0000 -191.74407 -187.11335 4.63072 2.08692 -186.75611 509.52164
6130.0000 -192.99940 -188.48886 4.51055 2.04654 -187.48057 477.14082
6135.0000 -192.42105 -187.23294 5.18811 2.06917 -187.07462 513.40909
6140.0000 -192.46854 -187.61769 4.85085 2.06945 -187.06953 512.58258
6145.0000 -191.75947 -186.56364 5.19583 2.08523 -186.78641 522.97487
6150.0000 -191.38021 -185.46725 5.91295 2.10674 -186.40047 536.42501
6155.0000 -191.59853 -186.30540 5.29313 2.14070 -185.79110 553.05981
6160.0000 -191.03964 -185.87259 5.16705 2.12963 -185.98969 545.20905
6165.0000 -192.75541 -187.87103 4.88437 2.06029 -187.23390 489.07388
6170.0000 -191.86205 -187.76269 4.09936 2.02847 -187.80486 450.26613
6175.0000 -191.51228 -186.48940 5.02289 2.10453 -186.44012 524.03872
6180.0000 -192.31767 -187.71265 4.60502 2.06235 -187.19698 496.34667
6185.0000 -190.39290 -185.35040 5.04250 2.08664 -186.76112 516.88511
6190.0000 -191.54362 -187.25776 4.28586 2.11845 -186.19035 531.76083
6195.0000 -191.58246 -185.09603 6.48643 2.10921 -186.35607 537.83544
6200.0000 -191.83201 -186.62848 5.20354 2.12151 -186.13544 547.55529
6205.0000 -192.98273 -187.80579 5.17694 2.07905 -186.89724 527.47005
6210.0000 -190.76064 -185.76750 4.99314 2.09802 -186.55684 521.61796
6215.0000 -191.68096 -185.58635 6.09461 2.16230 -185.40360 570.79467
6220.0000 -191.86709 -186.57707 5.29003 2.09377 -186.63320 510.70179
6225.0000 -191.95673 -186.72218 5.23455 2.08357 -186.81621 496.42386
6230.0000 -191.59042 -186.68409 4.90633 2.09672 -186.58014 506.29789
6235.0000 -191.09953 -185.07689 6.02264 2.12917 -185.99796 525.70201
6240.0000 -190.69779 -185.85568 4.84211 2.16032 -185.43902 539.74728
6245.0000 -190.19391 -185.48804 4.70588 2.15410 -185.55076 536.70030
6250.0000 -191.30818 -185.60434 5.70384 2.13145 -185.95711 522.91067
FREEZING PROCESS: loop number 26 T-loop= 481.00000000000000
main_MD> interactions number 26 at Temperature= 481.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97100 0.57983 1.88079
force_rgl> df(natom) -3.67449 2.73010 1.73928
6255.0000 -191.24000 -186.21602 5.02398 2.09565 -186.59950 502.19144
6260.0000 -191.70955 -186.33081 5.37874 2.07781 -186.91951 480.91970
6265.0000 -191.67228 -186.98225 4.69002 2.07049 -187.05078 500.71285
6270.0000 -192.19951 -187.24655 4.95296 2.09625 -186.58861 514.69457
6275.0000 -191.77124 -187.36214 4.40910 2.04533 -187.50226 486.33168
6280.0000 -192.64874 -188.15040 4.49835 2.03738 -187.64488 497.05229
6285.0000 -193.85930 -189.32143 4.53787 1.98866 -188.51899 468.42010
6290.0000 -194.23589 -190.20698 4.02890 1.92874 -189.59412 421.97604
6295.0000 -194.35694 -190.15237 4.20457 1.88448 -190.38834 387.31801
6300.0000 -192.03671 -187.50876 4.52796 1.96134 -189.00917 447.84747
6305.0000 -191.75056 -186.84785 4.90270 2.06407 -187.16607 516.17002
6310.0000 -191.69962 -186.88103 4.81859 2.06562 -187.13818 532.31734
6315.0000 -192.65713 -187.53109 5.12604 2.04641 -187.48283 490.13151
6320.0000 -193.13816 -188.58158 4.55658 2.01446 -188.05617 471.63791
6325.0000 -192.47450 -188.03645 4.43805 2.03147 -187.75101 491.90986
6330.0000 -192.09041 -187.29522 4.79519 2.02335 -187.89671 486.28686
6335.0000 -193.28280 -188.87088 4.41191 2.00566 -188.21410 466.07261
6340.0000 -193.53903 -189.38979 4.14924 1.96662 -188.91445 443.17484
6345.0000 -193.06377 -188.66511 4.39867 1.96925 -188.86739 461.00805
6350.0000 -192.72703 -188.07210 4.65493 2.01036 -188.12964 475.59992
6355.0000 -192.46975 -188.22140 4.24835 1.99472 -188.41034 461.04386
6360.0000 -194.07700 -189.62173 4.45527 1.95347 -189.15047 478.99762
6365.0000 -193.38202 -188.57393 4.80810 1.95898 -189.05157 486.19548
6370.0000 -193.95225 -188.97841 4.97383 1.97242 -188.81039 487.23451
6375.0000 -194.02499 -189.89725 4.12774 1.93740 -189.43875 466.75259
6380.0000 -194.26662 -189.83699 4.42963 1.90563 -190.00884 437.71350
6385.0000 -194.94135 -189.31638 5.62496 1.92998 -189.57187 455.19781
6390.0000 -193.20229 -189.08215 4.12014 1.98399 -188.60288 502.01480
6395.0000 -192.94607 -188.54182 4.40426 1.98133 -188.65053 490.01189
6400.0000 -193.88684 -189.09320 4.79364 1.95236 -189.17036 477.70690
6405.0000 -194.04719 -188.60409 5.44310 1.95345 -189.15075 480.02314
6410.0000 -193.17232 -188.97654 4.19578 1.96013 -189.03089 477.27801
6415.0000 -194.28584 -190.02189 4.26394 1.93765 -189.43435 461.74582
6420.0000 -193.84884 -189.65933 4.18951 1.93144 -189.54575 457.49046
6425.0000 -194.19455 -189.31234 4.88221 1.92219 -189.71175 454.38841
6430.0000 -194.07211 -189.30061 4.77150 1.94143 -189.36642 472.90658
6435.0000 -194.19200 -189.39009 4.80192 1.93186 -189.53811 457.25991
6440.0000 -194.59146 -189.71459 4.87688 1.95102 -189.19441 472.64197
6445.0000 -195.29506 -190.83528 4.45978 1.89030 -190.28392 425.79919
6450.0000 -193.85197 -189.33934 4.51262 1.90268 -190.06166 434.05535
6455.0000 -193.36871 -188.14020 5.22851 1.98238 -188.63167 499.84933
6460.0000 -193.36982 -188.97065 4.39918 1.97980 -188.67803 499.72572
6465.0000 -193.61572 -188.36650 5.24922 1.98162 -188.64545 493.95413
6470.0000 -193.96298 -189.78965 4.17333 1.94931 -189.22514 474.52674
6475.0000 -194.12770 -189.38386 4.74384 1.95400 -189.14097 479.50261
6480.0000 -193.36917 -188.90962 4.45954 1.94927 -189.22578 472.22040
6485.0000 -194.12657 -189.54678 4.57979 1.93043 -189.56387 455.57366
6490.0000 -193.50092 -188.24115 5.25977 1.97233 -188.81209 486.39133
6495.0000 -194.84769 -190.39453 4.45316 1.96811 -188.88780 489.14061
6500.0000 -193.38918 -188.49891 4.89027 1.91926 -189.76428 451.96901
FREEZING PROCESS: loop number 27 T-loop= 456.00000000000000
main_MD> interactions number 27 at Temperature= 456.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.80115 2.38898 1.37001
force_rgl> df(natom) -1.15159 -3.07756 -1.94011
6505.0000 -193.41858 -188.63062 4.78796 1.99248 -188.45054 499.54959
6510.0000 -194.48054 -189.80587 4.67466 1.93224 -189.53130 464.24314
6515.0000 -194.91172 -189.96733 4.94440 1.93084 -189.55655 456.47300
6520.0000 -194.52844 -190.51700 4.01144 1.89061 -190.27826 427.40611
6525.0000 -194.01189 -190.15331 3.85858 1.87483 -190.56148 419.27685
6530.0000 -194.32101 -189.56697 4.75404 1.92654 -189.63369 457.22049
6535.0000 -193.98601 -189.62869 4.35732 1.89882 -190.13097 433.19438
6540.0000 -194.56574 -189.91680 4.64894 1.92026 -189.74635 449.14120
6545.0000 -193.82515 -189.38341 4.44174 1.92174 -189.71977 454.97324
6550.0000 -194.98624 -190.91774 4.06850 1.92121 -189.72924 455.36705
6555.0000 -194.03553 -190.20993 3.82560 1.87804 -190.50389 417.02457
6560.0000 -194.54775 -189.60364 4.94411 1.89214 -190.25076 430.31188
6565.0000 -194.26336 -189.47519 4.78818 1.93787 -189.43027 458.83077
6570.0000 -193.75694 -189.06415 4.69279 1.93684 -189.44890 466.22675
6575.0000 -194.47915 -189.57178 4.90737 1.93493 -189.48315 456.92499
6580.0000 -194.67172 -190.58142 4.09030 1.89442 -190.20995 427.33888
6585.0000 -194.58027 -190.00784 4.57244 1.88742 -190.33557 423.64544
6590.0000 -194.12352 -190.29963 3.82388 1.88063 -190.45735 422.71809
6595.0000 -193.91528 -189.76724 4.14804 1.89107 -190.27000 428.56902
6600.0000 -193.79768 -189.27990 4.51777 1.93545 -189.47368 466.07519
6605.0000 -194.33558 -189.80631 4.52927 1.92167 -189.72107 451.86110
6610.0000 -194.27419 -190.03323 4.24096 1.91300 -189.87664 444.38037
6615.0000 -194.29329 -189.89024 4.40305 1.90624 -189.99786 438.43127
6620.0000 -194.44883 -190.18855 4.26028 1.92396 -189.67992 454.50207
6625.0000 -194.60560 -190.35470 4.25090 1.91901 -189.76865 454.77400
6630.0000 -194.41723 -189.80970 4.60753 1.90405 -190.03712 441.83770
6635.0000 -193.75602 -189.46882 4.28720 1.91338 -189.86981 443.89613
6640.0000 -194.73803 -190.75392 3.98410 1.89518 -190.19632 430.88706
6645.0000 -194.67047 -190.80237 3.86810 1.87161 -190.61918 409.75309
6650.0000 -194.73196 -190.33659 4.39537 1.86289 -190.77569 408.36052
6655.0000 -194.53498 -189.79306 4.74192 1.90486 -190.02254 435.45941
6660.0000 -193.76978 -189.41057 4.35921 1.93658 -189.45348 465.18153
6665.0000 -194.15859 -189.46458 4.69401 1.94058 -189.38176 469.57630
6670.0000 -194.68278 -189.85293 4.82986 1.91843 -189.77920 454.14045
6675.0000 -194.27190 -189.60144 4.67047 1.94370 -189.32572 478.31515
6680.0000 -194.48327 -189.76547 4.71780 1.90078 -190.09585 436.87914
6685.0000 -193.73275 -189.84124 3.89151 1.94118 -189.37098 470.63176
6690.0000 -193.91643 -189.86714 4.04929 1.95057 -189.20252 472.24417
6695.0000 -194.19945 -189.46444 4.73501 1.92773 -189.61234 455.45630
6700.0000 -194.48084 -190.28688 4.19396 1.90474 -190.02480 425.89520
6705.0000 -194.02806 -188.98293 5.04512 1.95154 -189.18512 481.17538
6710.0000 -193.79007 -189.97152 3.81855 1.93917 -189.40696 465.43957
6715.0000 -193.22797 -188.71586 4.51211 1.93121 -189.54986 463.21721
6720.0000 -194.64684 -190.44137 4.20548 1.92007 -189.74972 453.18732
6725.0000 -194.90488 -190.67754 4.22733 1.86472 -190.74273 406.14335
6730.0000 -194.39987 -190.03246 4.36741 1.88689 -190.34508 426.94124
6735.0000 -193.80581 -189.25184 4.55398 1.91699 -189.80491 449.76638
6740.0000 -194.24316 -189.82585 4.41731 1.93489 -189.48389 462.73028
6745.0000 -194.05684 -189.53856 4.51828 1.88957 -190.29688 429.60874
6750.0000 -194.66806 -190.23739 4.43066 1.92166 -189.72111 449.46019
FREEZING PROCESS: loop number 28 T-loop= 431.00000000000000
main_MD> interactions number 28 at Temperature= 431.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.95213 -1.63700 0.23941
force_rgl> df(natom) -0.79527 -2.24878 -0.04310
6755.0000 -194.76820 -190.01201 4.75619 1.90477 -190.02421 440.59767
6760.0000 -194.63044 -190.20351 4.42693 1.90193 -190.07510 436.03482
6765.0000 -194.64279 -189.66929 4.97351 1.91482 -189.84391 450.69852
6770.0000 -194.73382 -190.68097 4.05285 1.88923 -190.30299 425.90727
6775.0000 -194.70102 -190.92516 3.77586 1.84204 -191.14967 386.24398
6780.0000 -193.50816 -188.96590 4.54226 1.91683 -189.80778 446.29386
6785.0000 -194.48691 -190.10535 4.38156 1.90913 -189.94606 440.63200
6790.0000 -195.14735 -190.09035 5.05700 1.88649 -190.35216 425.45867
6795.0000 -193.88608 -189.40930 4.47677 1.90268 -190.06175 436.83556
6800.0000 -193.68910 -189.34287 4.34623 1.93433 -189.49383 465.13209
6805.0000 -193.46618 -188.48214 4.98404 1.95545 -189.11497 477.29794
6810.0000 -194.41620 -189.81001 4.60620 1.96107 -189.01406 487.34570
6815.0000 -194.40059 -189.42448 4.97611 1.92742 -189.61777 462.32480
6820.0000 -194.34026 -189.77247 4.56780 1.92995 -189.57248 456.25908
6825.0000 -194.39822 -189.73181 4.66642 1.91340 -189.86948 442.14847
6830.0000 -194.62331 -189.94660 4.67671 1.92070 -189.73845 456.63074
6835.0000 -194.14799 -189.04283 5.10517 1.93464 -189.48825 468.38771
6840.0000 -194.94405 -190.43914 4.50490 1.89689 -190.16566 435.56408
6845.0000 -194.76875 -190.11020 4.65855 1.89098 -190.27157 426.60477
6850.0000 -194.36362 -189.65591 4.70772 1.90319 -190.05255 441.70573
6855.0000 -194.00512 -189.22592 4.77920 1.92487 -189.66366 450.88493
6860.0000 -194.85249 -190.23257 4.61991 1.93769 -189.43352 464.01466
6865.0000 -195.08708 -190.57938 4.50770 1.90613 -189.99989 436.81961
6870.0000 -195.29676 -190.92993 4.36684 1.85682 -190.88451 400.39179
6875.0000 -194.50084 -190.16999 4.33085 1.88640 -190.35387 424.63350
6880.0000 -193.89493 -189.77415 4.12078 1.90131 -190.08639 434.70147
6885.0000 -194.51265 -190.57787 3.93478 1.88289 -190.41679 422.06016
6890.0000 -194.34415 -190.60875 3.73540 1.87457 -190.56603 415.67750
6895.0000 -195.55369 -191.94573 3.60796 1.84646 -191.07038 389.87564
6900.0000 -193.75543 -189.50055 4.25488 1.88777 -190.32924 421.34232
6905.0000 -194.33234 -190.67209 3.66025 1.89549 -190.19080 433.15850
6910.0000 -194.62728 -190.51858 4.10870 1.87313 -190.59188 411.04275
6915.0000 -194.49300 -189.77403 4.71898 1.93298 -189.51809 459.53726
6920.0000 -194.46036 -190.38653 4.07382 1.88429 -190.39177 419.11734
6925.0000 -194.61001 -190.80758 3.80243 1.89311 -190.23337 429.20590
6930.0000 -194.73147 -191.36837 3.36310 1.84101 -191.16821 387.32079
6935.0000 -195.15975 -190.26815 4.89160 1.85916 -190.84251 401.12484
6940.0000 -195.10766 -189.99302 5.11464 1.90630 -189.99681 444.09245
6945.0000 -194.11030 -189.71592 4.39438 1.89220 -190.24979 431.10895
6950.0000 -195.36878 -189.87904 5.48974 1.92364 -189.68572 452.26930
6955.0000 -194.34208 -189.61758 4.72449 1.91571 -189.82803 443.95496
6960.0000 -195.39129 -191.30145 4.08984 1.87960 -190.47592 417.75496
6965.0000 -194.75877 -190.67727 4.08150 1.86746 -190.69373 410.77666
6970.0000 -194.12579 -190.16826 3.95753 1.91244 -189.88670 440.78138
6975.0000 -194.20513 -190.00691 4.19822 1.89915 -190.12512 437.47928
6980.0000 -193.91844 -189.47461 4.44383 1.92690 -189.62720 458.01012
6985.0000 -194.37909 -190.39114 3.98795 1.89381 -190.22079 434.51038
6990.0000 -193.44902 -189.89197 3.55705 1.89656 -190.17160 430.47975
6995.0000 -194.59902 -190.04854 4.55048 1.91590 -189.82446 442.35978
7000.0000 -194.40393 -189.92970 4.47423 1.90247 -190.06546 440.05945
FREEZING PROCESS: loop number 29 T-loop= 406.00000000000000
main_MD> interactions number 29 at Temperature= 406.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27278 -2.14410 -0.26156
force_rgl> df(natom) -1.01064 1.32054 1.28455
7005.0000 -195.03515 -191.10778 3.92737 1.85973 -190.83239 407.64050
7010.0000 -193.70975 -190.04517 3.66458 1.88096 -190.45142 416.45879
7015.0000 -194.34093 -190.31979 4.02114 1.88623 -190.35684 409.83706
7020.0000 -194.40432 -190.31619 4.08812 1.87811 -190.50251 406.33791
7025.0000 -193.94845 -190.20899 3.73947 1.89714 -190.16116 417.59865
7030.0000 -195.02417 -191.42581 3.59837 1.86500 -190.73778 401.51791
7035.0000 -193.98757 -190.09879 3.88878 1.86406 -190.75461 399.70003
7040.0000 -193.82688 -189.98528 3.84161 1.88934 -190.30101 415.35252
7045.0000 -194.55264 -189.92508 4.62756 1.92751 -189.61627 449.43046
7050.0000 -194.27926 -190.14612 4.13314 1.90093 -190.09316 428.36005
7055.0000 -194.29376 -190.23990 4.05387 1.91082 -189.91573 433.59322
7060.0000 -194.91779 -191.29276 3.62503 1.83536 -191.26965 385.07137
7065.0000 -194.40275 -190.12355 4.27920 1.87187 -190.61450 413.40013
7070.0000 -194.51453 -190.17841 4.33611 1.89620 -190.17801 426.81278
7075.0000 -194.20449 -190.46919 3.73530 1.86193 -190.79285 399.18697
7080.0000 -194.89269 -190.50425 4.38844 1.88091 -190.45235 405.78061
7085.0000 -194.63624 -190.75392 3.88232 1.87996 -190.46937 420.85861
7090.0000 -194.74001 -190.72232 4.01769 1.83475 -191.28061 382.78038
7095.0000 -195.12631 -190.85532 4.27100 1.85343 -190.94536 398.76540
7100.0000 -194.63373 -190.34547 4.28825 1.84617 -191.07570 391.68855
7105.0000 -195.29896 -190.94700 4.35197 1.85187 -190.97329 399.57047
7110.0000 -195.58815 -190.86368 4.72448 1.86602 -190.71951 408.02753
7115.0000 -194.51480 -190.92015 3.59465 1.87145 -190.62201 413.22749
7120.0000 -194.53266 -191.24797 3.28469 1.83773 -191.22706 385.04167
7125.0000 -195.25463 -190.94014 4.31449 1.82766 -191.40779 377.80642
7130.0000 -194.27041 -191.09517 3.17525 1.87141 -190.62273 414.91280
7135.0000 -195.00924 -190.85913 4.15011 1.88406 -190.39587 419.59133
7140.0000 -194.73817 -191.14584 3.59233 1.84677 -191.06487 394.90432
7145.0000 -194.20921 -189.62646 4.58275 1.86190 -190.79335 406.07229
7150.0000 -194.65371 -190.40478 4.24893 1.89925 -190.12323 432.47401
7155.0000 -194.33552 -190.17718 4.15835 1.90012 -190.10773 436.70747
7160.0000 -194.58079 -190.66113 3.91966 1.87518 -190.55511 414.72054
7165.0000 -194.00115 -189.92377 4.07738 1.89289 -190.23747 430.06330
7170.0000 -195.13814 -190.98601 4.15213 1.88842 -190.31761 426.92356
7175.0000 -194.62681 -190.91057 3.71624 1.85263 -190.95968 405.04572
7180.0000 -194.77943 -190.74151 4.03792 1.86308 -190.77216 418.30098
7185.0000 -194.13250 -190.18386 3.94864 1.88889 -190.30922 445.34792
7190.0000 -195.13960 -191.21953 3.92007 1.87242 -190.60470 421.84473
7195.0000 -194.78727 -190.68875 4.09852 1.87902 -190.48616 428.31461
7200.0000 -195.03295 -190.68739 4.34556 1.86648 -190.71129 414.06253
7205.0000 -193.97293 -190.00473 3.96819 1.88953 -190.29769 435.28643
7210.0000 -194.27843 -189.86732 4.41112 1.90142 -190.08434 448.21305
7215.0000 -194.28379 -190.72396 3.55983 1.86064 -190.81602 407.60888
7220.0000 -194.17329 -190.54887 3.62441 1.86509 -190.73622 413.05779
7225.0000 -194.95187 -190.52320 4.42867 1.86757 -190.69174 417.45370
7230.0000 -194.92595 -190.96117 3.96478 1.85979 -190.83120 413.92896
7235.0000 -194.86852 -191.40182 3.46670 1.82774 -191.40640 383.16005
7240.0000 -195.66542 -191.81546 3.84995 1.83682 -191.24340 393.01308
7245.0000 -195.35123 -191.77424 3.57699 1.84158 -191.15808 397.79930
7250.0000 -195.14495 -191.00710 4.13784 1.82462 -191.46233 383.83168
FREEZING PROCESS: loop number 30 T-loop= 381.00000000000000
main_MD> interactions number 30 at Temperature= 381.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57049 -0.58873 1.58380
force_rgl> df(natom) 2.06535 0.91326 0.80969
7255.0000 -195.39403 -191.81477 3.57926 1.81896 -191.56393 374.11058
7260.0000 -194.74189 -191.11561 3.62628 1.82250 -191.50032 381.85756
7265.0000 -195.51071 -191.88587 3.62485 1.82501 -191.45534 382.30844
7270.0000 -195.33529 -191.30717 4.02812 1.82196 -191.50999 378.72581
7275.0000 -194.60979 -190.72129 3.88850 1.81900 -191.56312 374.85668
7280.0000 -196.14282 -192.40564 3.73719 1.82163 -191.51596 376.61194
7285.0000 -195.56188 -192.00738 3.55450 1.77771 -192.30402 341.93575
7290.0000 -195.45613 -191.49147 3.96466 1.80590 -191.79818 367.83348
7295.0000 -195.28018 -191.80465 3.47552 1.82222 -191.50532 382.09126
7300.0000 -195.82023 -191.80177 4.01846 1.80224 -191.86393 366.02552
7305.0000 -195.10109 -191.75209 3.34900 1.83140 -191.34061 388.14407
7310.0000 -195.33930 -191.58064 3.75866 1.80634 -191.79022 367.01595
7315.0000 -195.77116 -191.93291 3.83825 1.80322 -191.84635 367.02815
7320.0000 -195.69236 -191.45498 4.23738 1.79962 -191.91089 363.23310
7325.0000 -195.02040 -190.84884 4.17156 1.83251 -191.32065 386.65554
7330.0000 -195.14254 -190.81721 4.32533 1.85777 -190.86759 411.28219
7335.0000 -195.35493 -191.61875 3.73618 1.81152 -191.69727 370.23147
7340.0000 -195.62348 -192.23085 3.39263 1.79163 -192.05413 357.43007
7345.0000 -194.94496 -191.26168 3.68328 1.82393 -191.47464 382.61446
7350.0000 -194.88666 -191.11133 3.77533 1.84794 -191.04397 403.80909
7355.0000 -195.12035 -191.43690 3.68344 1.84775 -191.04729 402.59429
7360.0000 -195.69533 -191.92142 3.77392 1.82558 -191.44500 384.82931
7365.0000 -195.40667 -191.57081 3.83587 1.80525 -191.80979 364.61136
7370.0000 -195.40960 -191.83190 3.57770 1.81296 -191.67145 373.02743
7375.0000 -194.90808 -191.49441 3.41367 1.81633 -191.61107 374.02871
7380.0000 -194.69392 -191.28604 3.40788 1.83770 -191.22764 389.79852
7385.0000 -195.31065 -191.27754 4.03311 1.83354 -191.30219 389.92831
7390.0000 -195.22093 -191.35340 3.86753 1.83476 -191.28041 389.11182
7395.0000 -195.22418 -191.76123 3.46295 1.82520 -191.45190 382.10087
7400.0000 -195.48258 -192.56131 2.92128 1.78493 -192.17451 351.67520
7405.0000 -194.81120 -190.71979 4.09141 1.82510 -191.45364 384.04206
7410.0000 -194.77242 -190.66572 4.10671 1.87258 -190.60185 425.69616
7415.0000 -195.29233 -191.21665 4.07568 1.86576 -190.72423 413.42121
7420.0000 -195.37896 -191.90183 3.47713 1.82193 -191.51060 379.92314
7425.0000 -195.35035 -191.64779 3.70256 1.80678 -191.78234 367.84583
7430.0000 -194.73123 -191.24958 3.48165 1.82262 -191.49827 380.27745
7435.0000 -195.91549 -192.69559 3.21990 1.76637 -192.50745 335.05813
7440.0000 -195.49222 -191.71477 3.77745 1.80942 -191.73497 370.07278
7445.0000 -195.20417 -191.43450 3.76967 1.83283 -191.31500 387.60796
7450.0000 -194.83279 -190.95521 3.87758 1.82441 -191.46608 383.98648
7455.0000 -195.18046 -191.78222 3.39825 1.83168 -191.33570 390.69680
7460.0000 -195.50943 -190.77654 4.73290 1.84562 -191.08557 401.66247
7465.0000 -195.39233 -191.94303 3.44929 1.84352 -191.12328 398.46083
7470.0000 -195.40371 -191.63251 3.77120 1.77918 -192.27753 343.95565
7475.0000 -194.97487 -190.99026 3.98461 1.81467 -191.64075 376.52401
7480.0000 -195.44869 -191.70703 3.74165 1.84063 -191.17511 395.98014
7485.0000 -195.39762 -191.28128 4.11634 1.81815 -191.57834 376.59658
7490.0000 -194.86558 -191.22225 3.64334 1.83862 -191.21106 395.51670
7495.0000 -195.15391 -191.76516 3.38875 1.79726 -191.95316 363.15619
7500.0000 -195.06963 -191.06472 4.00491 1.81546 -191.62660 371.82577
FREEZING PROCESS: loop number 31 T-loop= 356.00000000000000
main_MD> interactions number 31 at Temperature= 356.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06918 -1.20640 -1.44092
force_rgl> df(natom) 3.36238 -0.32116 -0.48713
7505.0000 -195.68484 -192.70364 2.98120 1.79231 -192.04196 354.51174
7510.0000 -195.39877 -192.10697 3.29180 1.75957 -192.62947 329.57173
7515.0000 -196.05886 -192.29181 3.76706 1.77011 -192.44032 337.45594
7520.0000 -196.30226 -193.03813 3.26413 1.76949 -192.45152 337.58889
7525.0000 -195.87222 -192.40416 3.46806 1.75657 -192.68327 329.38676
7530.0000 -195.42828 -192.25776 3.17053 1.79498 -191.99417 357.99023
7535.0000 -195.38799 -192.50862 2.87937 1.76692 -192.49752 331.72957
7540.0000 -194.96233 -191.15040 3.81193 1.79340 -192.02239 357.92977
7545.0000 -195.41211 -191.18421 4.22790 1.85635 -190.89293 408.46528
7550.0000 -195.36569 -191.62358 3.74210 1.80325 -191.84572 363.02166
7555.0000 -195.57458 -192.13259 3.44199 1.80005 -191.90315 362.76672
7560.0000 -195.76133 -192.53559 3.22574 1.77021 -192.43853 340.69707
7565.0000 -195.68798 -191.69090 3.99708 1.78269 -192.21456 348.51849
7570.0000 -195.62104 -191.81997 3.80107 1.80019 -191.90059 360.23040
7575.0000 -195.75692 -192.24354 3.51338 1.79628 -191.97078 359.71041
7580.0000 -195.75312 -192.48099 3.27214 1.77874 -192.28555 345.04801
7585.0000 -196.07840 -192.54713 3.53127 1.78466 -192.17921 350.89953
7590.0000 -195.97500 -192.48059 3.49441 1.76096 -192.60448 332.28994
7595.0000 -195.65707 -192.42706 3.23000 1.76859 -192.46768 339.63548
7600.0000 -196.13101 -192.83267 3.29834 1.75474 -192.71605 322.05033
7605.0000 -195.41777 -191.97849 3.43928 1.77520 -192.34894 341.08547
7610.0000 -195.92065 -192.14849 3.77216 1.79648 -191.96715 357.01688
7615.0000 -196.06006 -192.46498 3.59508 1.76872 -192.46535 337.42938
7620.0000 -195.72865 -192.54647 3.18218 1.76751 -192.48705 334.24588
7625.0000 -195.48052 -192.22817 3.25235 1.77471 -192.35788 339.71779
7630.0000 -195.53989 -192.35430 3.18559 1.78796 -192.12013 354.45174
7635.0000 -195.65724 -192.46539 3.19185 1.75846 -192.64935 326.86171
7640.0000 -195.45748 -191.87765 3.57984 1.76226 -192.58125 333.10503
7645.0000 -195.34135 -191.99661 3.34474 1.81522 -191.63101 375.72955
7650.0000 -195.96201 -192.61499 3.34702 1.78272 -192.21413 349.89008
7655.0000 -196.01081 -193.28113 2.72968 1.74192 -192.94613 312.00936
7660.0000 -196.37195 -192.54788 3.82406 1.74114 -192.96015 310.40672
7665.0000 -196.14218 -192.58315 3.55903 1.75599 -192.69369 327.00997
7670.0000 -195.17341 -192.08228 3.09113 1.78513 -192.17081 344.55641
7675.0000 -195.27357 -191.49436 3.77921 1.79567 -191.98170 355.76043
7680.0000 -195.97591 -192.05243 3.92348 1.79327 -192.02472 356.86390
7685.0000 -195.98263 -192.91547 3.06716 1.77611 -192.33272 340.28964
7690.0000 -195.47125 -191.64725 3.82400 1.76556 -192.52204 331.11873
7695.0000 -195.02946 -191.07353 3.95592 1.82273 -191.49630 380.38059
7700.0000 -194.76151 -191.03619 3.72532 1.84732 -191.05496 401.30658
7705.0000 -195.22864 -191.37857 3.85007 1.84698 -191.06109 404.77702
7710.0000 -195.55669 -192.00753 3.54916 1.81923 -191.55907 380.05326
7715.0000 -195.73622 -192.66606 3.07017 1.76727 -192.49134 331.43163
7720.0000 -194.94623 -192.01213 2.93410 1.77713 -192.31443 340.27112
7725.0000 -195.53813 -191.70025 3.83787 1.80671 -191.78363 366.88000
7730.0000 -195.87821 -192.22063 3.65757 1.79433 -192.00577 357.11847
7735.0000 -195.78100 -191.48937 4.29163 1.81757 -191.58877 378.52552
7740.0000 -195.62137 -192.00020 3.62116 1.79747 -191.94934 357.83867
7745.0000 -195.30218 -192.09944 3.20274 1.78529 -192.16804 346.95316
7750.0000 -195.86490 -192.46255 3.40235 1.76356 -192.55790 330.53212
FREEZING PROCESS: loop number 32 T-loop= 331.00000000000000
main_MD> interactions number 32 at Temperature= 331.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.88363 -1.51012 -1.08135
force_rgl> df(natom) -0.74559 0.02919 -1.04604
7755.0000 -196.03164 -193.04227 2.98937 1.75862 -192.64647 328.75440
7760.0000 -195.63705 -192.15144 3.48561 1.75241 -192.75792 320.74598
7765.0000 -195.82285 -192.70336 3.11949 1.76989 -192.44428 334.99667
7770.0000 -195.91205 -191.83357 4.07848 1.77879 -192.28462 345.97858
7775.0000 -195.94645 -192.62068 3.32577 1.78193 -192.22832 350.69552
7780.0000 -195.90132 -192.93221 2.96911 1.75629 -192.68836 324.98209
7785.0000 -196.02452 -192.65837 3.36615 1.73832 -193.01070 310.76542
7790.0000 -195.69993 -192.35851 3.34142 1.75780 -192.66128 323.46699
7795.0000 -195.57500 -191.91320 3.66180 1.76704 -192.49539 333.39173
7800.0000 -195.39267 -191.78986 3.60281 1.79255 -192.03777 356.17012
7805.0000 -196.07360 -193.09666 2.97694 1.75738 -192.66881 327.95345
7810.0000 -195.78769 -192.36915 3.41853 1.74558 -192.88050 314.75592
7815.0000 -195.56506 -191.92411 3.64095 1.77019 -192.43888 342.47147
7820.0000 -195.48837 -191.94249 3.54589 1.79075 -192.06994 355.67283
7825.0000 -195.44180 -192.16772 3.27409 1.77266 -192.39462 339.54939
7830.0000 -195.86785 -192.57585 3.29200 1.78682 -192.14053 349.15795
7835.0000 -195.65055 -192.93209 2.71846 1.72614 -193.22933 299.19062
7840.0000 -195.95098 -192.64432 3.30667 1.74791 -192.83859 315.84944
7845.0000 -195.81023 -192.71603 3.09420 1.76313 -192.56558 329.56002
7850.0000 -195.43348 -192.74606 2.68742 1.75510 -192.70970 325.06071
7855.0000 -195.79911 -192.51647 3.28264 1.76781 -192.48161 334.89279
7860.0000 -195.79292 -192.37247 3.42046 1.75553 -192.70199 323.30551
7865.0000 -195.88623 -193.17616 2.71007 1.75353 -192.73781 322.56029
7870.0000 -195.84251 -192.84217 3.00034 1.75753 -192.66605 326.26653
7875.0000 -195.62546 -192.33766 3.28781 1.74770 -192.84235 317.54923
7880.0000 -195.87083 -192.87704 2.99379 1.76691 -192.49768 335.53951
7885.0000 -196.26269 -193.37510 2.88760 1.72074 -193.32612 293.22453
7890.0000 -195.93058 -192.59511 3.33547 1.73842 -193.00895 310.67504
7895.0000 -195.39467 -192.19149 3.20319 1.75278 -192.75119 322.53269
7900.0000 -195.80632 -192.34255 3.46377 1.77183 -192.40942 341.35289
7905.0000 -195.54173 -192.35442 3.18731 1.75261 -192.75427 323.73061
7910.0000 -195.67093 -192.33788 3.33305 1.77207 -192.40519 338.94064
7915.0000 -195.61500 -192.25057 3.36443 1.79677 -191.96206 363.06426
7920.0000 -195.84456 -192.33403 3.51052 1.76961 -192.44937 336.32222
7925.0000 -196.03101 -192.33140 3.69960 1.79266 -192.03582 353.77793
7930.0000 -195.52490 -192.36627 3.15863 1.77590 -192.33638 342.58830
7935.0000 -195.30856 -192.23612 3.07244 1.78337 -192.20239 346.71782
7940.0000 -195.72601 -192.69540 3.03060 1.77625 -192.33015 343.74166
7945.0000 -196.19138 -193.06153 3.12985 1.73880 -193.00213 311.06278
7950.0000 -196.20206 -193.01383 3.18822 1.74469 -192.89641 317.15805
7955.0000 -196.24829 -192.90276 3.34553 1.72485 -193.25237 302.28371
7960.0000 -196.29946 -193.54985 2.74961 1.72269 -193.29112 300.03628
7965.0000 -195.50680 -192.84251 2.66429 1.71012 -193.51663 288.27571
7970.0000 -195.91906 -193.05433 2.86473 1.74074 -192.96729 309.30618
7975.0000 -196.05771 -192.19315 3.86456 1.74700 -192.85489 317.83268
7980.0000 -195.06969 -192.13532 2.93438 1.77129 -192.41910 336.91934
7985.0000 -195.71693 -192.02262 3.69431 1.77746 -192.30843 343.85812
7990.0000 -195.73527 -192.06863 3.66664 1.78169 -192.23264 347.31183
7995.0000 -195.79947 -192.90359 2.89588 1.76515 -192.52933 334.05977
8000.0000 -196.03797 -192.84197 3.19601 1.76847 -192.46967 335.62258
FREEZING PROCESS: loop number 33 T-loop= 306.00000000000000
main_MD> interactions number 33 at Temperature= 306.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71613 2.22117 -1.33335
force_rgl> df(natom) -0.53923 2.45343 0.49454
8005.0000 -195.85090 -192.56101 3.28989 1.76848 -192.46962 336.08355
8010.0000 -196.08050 -193.05071 3.02980 1.73428 -193.08318 305.96109
8015.0000 -196.18030 -193.30924 2.87105 1.73528 -193.06531 306.12998
8020.0000 -196.25450 -192.88314 3.37136 1.72952 -193.16859 300.45234
8025.0000 -196.48275 -194.06231 2.42044 1.71439 -193.44002 288.85709
8030.0000 -196.33416 -193.35435 2.97982 1.70902 -193.53640 282.01945
8035.0000 -195.97749 -192.95831 3.01917 1.73766 -193.02250 312.82452
8040.0000 -196.30689 -192.89767 3.40922 1.72769 -193.20139 301.56840
8045.0000 -195.57536 -191.87021 3.70515 1.76603 -192.51349 334.31574
8050.0000 -196.27205 -192.61988 3.65217 1.78327 -192.20425 350.72534
8055.0000 -196.36798 -193.31904 3.04893 1.73935 -192.99225 311.75391
8060.0000 -196.68389 -193.27068 3.41321 1.73206 -193.12295 309.87642
8065.0000 -196.04617 -193.27484 2.77133 1.72737 -193.20719 301.16158
8070.0000 -196.03272 -192.86010 3.17262 1.73073 -193.14688 303.76723
8075.0000 -196.09396 -193.17110 2.92286 1.74491 -192.89250 318.11667
8080.0000 -195.81724 -192.82791 2.98933 1.74026 -192.97599 309.97549
8085.0000 -195.71113 -192.43999 3.27114 1.76839 -192.47123 338.47699
8090.0000 -196.05021 -192.95825 3.09196 1.76148 -192.59524 329.90610
8095.0000 -196.58818 -193.58501 3.00317 1.71598 -193.41149 288.98422
8100.0000 -195.86793 -192.94110 2.92683 1.72008 -193.33791 295.50885
8105.0000 -196.14326 -192.86535 3.27791 1.72908 -193.17644 301.48651
8110.0000 -196.16124 -193.31657 2.84466 1.74471 -192.89614 318.69925
8115.0000 -196.46280 -193.25028 3.21252 1.71989 -193.34131 294.18185
8120.0000 -195.50031 -192.68855 2.81176 1.74862 -192.82600 320.14515
8125.0000 -196.29392 -193.16855 3.12537 1.75398 -192.72978 322.30066
8130.0000 -195.74846 -192.57371 3.17475 1.75506 -192.71031 321.77068
8135.0000 -195.79487 -192.34185 3.45302 1.75948 -192.63099 323.28035
8140.0000 -196.22184 -193.11824 3.10360 1.74391 -192.91043 316.86403
8145.0000 -195.89705 -193.15230 2.74475 1.74201 -192.94450 313.74730
8150.0000 -195.50875 -192.88530 2.62345 1.73209 -193.12256 302.59635
8155.0000 -196.10951 -193.25021 2.85929 1.73020 -193.15646 303.34656
8160.0000 -196.30153 -193.47199 2.82955 1.71080 -193.50450 287.14652
8165.0000 -195.62799 -192.87225 2.75575 1.73397 -193.08870 304.12925
8170.0000 -196.49490 -193.44004 3.05487 1.72673 -193.21862 301.02598
8175.0000 -195.50852 -192.55721 2.95131 1.73221 -193.12031 302.69356
8180.0000 -196.05283 -192.93262 3.12022 1.75699 -192.67577 322.97643
8185.0000 -196.01107 -192.97451 3.03657 1.75242 -192.75778 322.73709
8190.0000 -196.25298 -193.25377 2.99921 1.74363 -192.91539 313.50567
8195.0000 -196.54612 -193.73160 2.81452 1.72205 -193.30264 295.80148
8200.0000 -196.25023 -193.12251 3.12773 1.70595 -193.59158 282.14078
8205.0000 -196.12934 -193.18751 2.94184 1.72763 -193.20246 299.98472
8210.0000 -196.12549 -193.14151 2.98398 1.74810 -192.83522 318.32941
8215.0000 -196.01538 -192.68420 3.33118 1.74068 -192.96829 312.68844
8220.0000 -195.24809 -191.84568 3.40240 1.79308 -192.02817 356.48673
8225.0000 -195.95357 -192.54738 3.40619 1.77854 -192.28907 344.68010
8230.0000 -195.84926 -192.39588 3.45338 1.77032 -192.43650 336.24070
8235.0000 -195.98218 -192.49245 3.48973 1.76342 -192.56028 329.43356
8240.0000 -196.33321 -193.33948 2.99373 1.73859 -193.00578 308.22306
8245.0000 -196.16648 -193.02632 3.14017 1.72309 -193.28401 296.70416
8250.0000 -196.33825 -192.78106 3.55719 1.74551 -192.88173 316.71178
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 41.0402243 [s].
main_MD> Deallocating global variables
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