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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_50/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_50.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 = 50 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1400
main_MD> Size of nv and nvoiz: 50 5000
main_MD> Size of nv and nvoiz: 50 5000
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 = 50
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> 0.15801796145859867 4.7113960639726712E-002 -0.12029462286180519 initial drift of cluster / NP1 for coalescence
init> 0.32483787292883060 0.30607727537429563 0.28574984812094750 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.4340011016950563E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70139 -2.37859 0.75250
force_rgl> df(natom) 0.83486 -1.35007 -0.58971
preparo> THERMALIZATION PROCESS AT 1022.6423731461637
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -110.35487658812002 7.0005033096281926 -117.35537989774821 5.9309267808690903E-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 28
FREEZING PROCESS: loop number 1 T-loop= 998.00000000000000
main_MD> interactions number 1 at Temperature= 998.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53784 0.97190 1.26555
force_rgl> df(natom) -3.44918 -3.67764 -1.99149
5.0000 -117.34573 -111.44093 5.90480 2.67645 -111.17504 1002.02134
10.0000 -118.33438 -110.83037 7.50401 2.65610 -111.45118 976.47827
15.0000 -118.43632 -113.73395 4.70237 2.54358 -112.97829 911.05850
20.0000 -117.78647 -111.35614 6.43033 2.56833 -112.64243 923.23395
25.0000 -119.21378 -113.47504 5.73874 2.58152 -112.46332 952.02820
30.0000 -118.85725 -112.37713 6.48012 2.57157 -112.59838 947.59461
35.0000 -116.49468 -111.02805 5.46663 2.66604 -111.31625 1010.63142
40.0000 -118.88552 -112.43472 6.45081 2.61480 -112.01167 961.87740
45.0000 -117.39513 -110.17504 7.22010 2.65127 -111.51673 989.62916
50.0000 -115.35846 -107.95187 7.40659 2.83912 -108.96716 1104.87315
55.0000 -118.04527 -110.06503 7.98023 2.80650 -109.40995 1138.36933
60.0000 -118.44486 -111.68012 6.76475 2.68779 -111.02108 1047.32009
65.0000 -116.80882 -111.01468 5.79414 2.70927 -110.72954 1018.45554
70.0000 -118.24666 -110.59768 7.64899 2.70682 -110.76282 1021.72474
75.0000 -118.18195 -111.21554 6.96640 2.70711 -110.75888 1021.66631
80.0000 -116.44332 -109.61804 6.82528 2.69350 -110.94363 1041.25389
85.0000 -117.24398 -110.43012 6.81386 2.75951 -110.04768 1053.01608
90.0000 -117.26497 -111.74702 5.51795 2.63845 -111.69072 976.83786
95.0000 -118.09620 -111.87919 6.21701 2.66123 -111.38157 1011.03383
100.0000 -117.61442 -110.57880 7.03562 2.65735 -111.43427 1019.29926
105.0000 -117.49538 -111.71199 5.78340 2.68849 -111.01155 1034.26233
110.0000 -118.99872 -113.14581 5.85291 2.56469 -112.69174 921.19974
115.0000 -117.74528 -111.59964 6.14563 2.59524 -112.27722 926.33279
120.0000 -118.23497 -112.43147 5.80350 2.61893 -111.95559 946.39332
125.0000 -118.78190 -112.77577 6.00613 2.55711 -112.79462 938.30492
130.0000 -117.43167 -111.22986 6.20181 2.64496 -111.60234 1001.87709
135.0000 -117.07842 -109.94164 7.13678 2.70465 -110.79227 978.95204
140.0000 -117.07062 -111.99651 5.07410 2.74365 -110.26287 1028.56483
145.0000 -116.79820 -109.28677 7.51143 2.73700 -110.35318 1076.89180
150.0000 -117.73566 -111.71059 6.02507 2.74489 -110.24614 1025.82338
155.0000 -116.64794 -109.22145 7.42650 2.74948 -110.18375 1065.96180
160.0000 -115.04735 -108.47989 6.56747 2.86472 -108.61982 1144.36829
165.0000 -117.62744 -110.39442 7.23302 2.77582 -109.82636 1037.54276
170.0000 -116.69268 -110.46905 6.22364 2.74743 -110.21161 1040.23961
175.0000 -116.18519 -110.01688 6.16832 2.67206 -111.23454 1001.66184
180.0000 -116.87770 -109.32932 7.54838 2.77263 -109.86961 1111.44965
185.0000 -115.85648 -110.69644 5.16004 2.74057 -110.30474 1042.84292
190.0000 -117.91620 -110.06683 7.84936 2.74190 -110.28666 1048.88544
195.0000 -117.87347 -111.78252 6.09095 2.71975 -110.58736 1032.31785
200.0000 -117.57584 -112.05772 5.51811 2.60045 -112.20649 946.21823
205.0000 -118.54050 -112.76107 5.77943 2.63858 -111.68893 995.29017
210.0000 -118.58307 -111.80365 6.77942 2.54574 -112.94897 937.02828
215.0000 -118.57574 -113.24789 5.32786 2.59700 -112.25328 977.75425
220.0000 -118.39829 -111.15815 7.24013 2.59313 -112.30583 941.33014
225.0000 -117.29995 -110.28081 7.01914 2.72276 -110.54651 1093.91101
230.0000 -117.97044 -110.44809 7.52235 2.73240 -110.41568 1042.54143
235.0000 -117.07023 -108.50530 8.56493 2.82857 -109.11046 1142.74654
240.0000 -114.74144 -107.32226 7.41917 2.92958 -107.73946 1208.15293
245.0000 -117.17117 -109.79714 7.37404 2.87823 -108.43647 1191.32698
250.0000 -117.66776 -111.00914 6.65862 2.69414 -110.93486 1028.01174
FREEZING PROCESS: loop number 2 T-loop= 973.00000000000000
main_MD> interactions number 2 at Temperature= 973.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.58507 -0.07233 -2.54148
force_rgl> df(natom) 6.05335 0.13641 3.91061
255.0000 -118.31374 -112.66527 5.64847 2.65337 -111.48824 973.22747
260.0000 -119.05197 -113.17480 5.87717 2.53904 -113.03990 877.45291
265.0000 -118.46587 -111.25321 7.21266 2.56561 -112.67927 919.45679
270.0000 -118.06554 -111.66019 6.40535 2.61699 -111.98203 973.15330
275.0000 -118.32292 -111.03526 7.28766 2.63032 -111.80106 947.69000
280.0000 -118.71565 -112.03136 6.68429 2.67139 -111.24370 1013.58233
285.0000 -116.69904 -110.69465 6.00439 2.71474 -110.65528 1044.24558
290.0000 -116.15497 -109.47019 6.68478 2.76094 -110.02833 1072.60212
295.0000 -116.60319 -110.64588 5.95731 2.75608 -110.09430 1069.07934
300.0000 -118.04464 -112.17246 5.87218 2.66415 -111.34198 959.25648
305.0000 -117.39070 -111.98578 5.40493 2.59062 -112.33981 915.94574
310.0000 -118.59268 -112.38514 6.20754 2.60997 -112.07728 974.77319
315.0000 -118.74142 -113.17042 5.57099 2.51261 -113.39859 896.63062
320.0000 -117.49584 -111.66854 5.82730 2.58283 -112.44564 964.24836
325.0000 -117.06712 -110.23430 6.83282 2.68179 -111.10252 1036.38205
330.0000 -117.31694 -110.40674 6.91020 2.68793 -111.01921 1004.88821
335.0000 -118.66312 -110.92676 7.73637 2.68960 -110.99653 996.87748
340.0000 -118.73639 -111.86547 6.87093 2.68702 -111.03159 1019.20481
345.0000 -117.19619 -111.42850 5.76769 2.66610 -111.31547 977.60545
350.0000 -120.11611 -114.13317 5.98294 2.55318 -112.84805 919.88234
355.0000 -119.15258 -113.84782 5.30476 2.52316 -113.25545 923.95539
360.0000 -118.44349 -111.96787 6.47561 2.54181 -113.00230 878.71374
365.0000 -118.42110 -112.16498 6.25612 2.62284 -111.90259 995.97667
370.0000 -119.12082 -111.97388 7.14694 2.58899 -112.36206 925.43476
375.0000 -117.01237 -110.91153 6.10084 2.65542 -111.46044 991.64580
380.0000 -117.64810 -111.42948 6.21862 2.74783 -110.20628 1068.84520
385.0000 -119.31761 -112.15411 7.16350 2.67854 -111.14669 1026.38064
390.0000 -118.66977 -112.58798 6.08179 2.63271 -111.76860 997.31195
395.0000 -119.96233 -112.98234 6.97999 2.56509 -112.68631 960.04647
400.0000 -119.00971 -113.83715 5.17257 2.55252 -112.85691 941.14463
405.0000 -118.87477 -111.95554 6.91923 2.55423 -112.83370 955.46369
410.0000 -118.13220 -112.32480 5.80740 2.58614 -112.40062 941.01761
415.0000 -118.27849 -110.72321 7.55527 2.68038 -111.12166 1058.49925
420.0000 -118.21189 -112.27074 5.94115 2.68586 -111.04727 1053.41966
425.0000 -119.29724 -113.97670 5.32054 2.50935 -113.44294 924.45479
430.0000 -118.75819 -112.65479 6.10341 2.50239 -113.53728 867.07630
435.0000 -117.98548 -112.33043 5.65505 2.60531 -112.14048 995.37167
440.0000 -119.08966 -110.52083 8.56882 2.69178 -110.96699 1034.77854
445.0000 -117.58546 -111.72522 5.86024 2.69014 -110.98914 1067.17896
450.0000 -118.98846 -112.77682 6.21164 2.59361 -112.29926 905.92064
455.0000 -118.96856 -113.69442 5.27414 2.54602 -112.94514 931.83493
460.0000 -119.02075 -114.51027 4.51048 2.47130 -113.95934 869.22938
465.0000 -118.37524 -112.30609 6.06915 2.51083 -113.42274 881.91064
470.0000 -118.72549 -112.46766 6.25783 2.64177 -111.64569 969.18991
475.0000 -118.15151 -112.29730 5.85421 2.58791 -112.37665 947.53520
480.0000 -118.68948 -112.26413 6.42535 2.56988 -112.62139 950.57604
485.0000 -118.02661 -112.32048 5.70612 2.58864 -112.36677 926.15623
490.0000 -117.85123 -111.19651 6.65471 2.54728 -112.92803 877.96036
495.0000 -116.00820 -110.08971 5.91849 2.77371 -109.85501 1099.99683
500.0000 -117.74983 -111.60681 6.14301 2.67266 -111.22636 1036.93603
FREEZING PROCESS: loop number 3 T-loop= 948.00000000000000
main_MD> interactions number 3 at Temperature= 948.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.72456 2.54284 0.00336
force_rgl> df(natom) -1.82973 0.12389 5.61121
505.0000 -118.41600 -110.89078 7.52522 2.64076 -111.65943 944.37126
510.0000 -119.49027 -111.65029 7.83998 2.71050 -110.71289 1058.08306
515.0000 -118.49109 -111.59185 6.89924 2.66630 -111.31279 1030.79665
520.0000 -118.18998 -112.63545 5.55454 2.59691 -112.25451 929.46907
525.0000 -117.94306 -111.77407 6.16899 2.65952 -111.40472 994.09811
530.0000 -118.54728 -112.92069 5.62659 2.58333 -112.43888 951.67124
535.0000 -118.43107 -111.88094 6.55013 2.56685 -112.66242 922.32983
540.0000 -118.60732 -113.14423 5.46309 2.63253 -111.77110 1014.77750
545.0000 -119.28543 -113.12086 6.16457 2.55137 -112.87261 914.07686
550.0000 -119.66190 -113.61063 6.05127 2.56359 -112.70668 949.15442
555.0000 -119.59852 -113.62937 5.96915 2.46434 -114.05370 864.65115
560.0000 -118.91188 -111.65494 7.25694 2.56491 -112.68881 905.16287
565.0000 -118.29519 -111.47675 6.81844 2.64864 -111.55236 979.06308
570.0000 -116.81624 -108.31325 8.50299 2.81766 -109.25852 1117.98620
575.0000 -118.54111 -111.82988 6.71123 2.74422 -110.25525 1069.16771
580.0000 -119.09908 -113.57881 5.52028 2.54933 -112.90025 947.98148
585.0000 -119.28913 -113.11045 6.17868 2.52540 -113.22508 910.63879
590.0000 -118.13016 -112.34239 5.78777 2.54776 -112.92154 935.50594
595.0000 -118.64745 -113.47257 5.17488 2.57317 -112.57669 944.25334
600.0000 -118.19364 -112.51113 5.68251 2.54421 -112.96981 912.48897
605.0000 -118.07577 -111.88962 6.18615 2.56222 -112.72529 920.13837
610.0000 -117.20974 -111.55361 5.65613 2.66735 -111.29848 982.11384
615.0000 -118.73418 -110.53720 8.19698 2.69903 -110.86856 1032.10643
620.0000 -117.24517 -110.88332 6.36185 2.63547 -111.73117 975.82924
625.0000 -117.48807 -110.71904 6.76904 2.75443 -110.11665 1082.41227
630.0000 -117.84986 -111.64756 6.20229 2.64651 -111.58136 948.99560
635.0000 -116.78203 -110.68785 6.09418 2.74537 -110.23958 1054.84387
640.0000 -119.26868 -112.73247 6.53621 2.62022 -111.93814 957.08129
645.0000 -119.28498 -113.96401 5.32097 2.58803 -112.37503 979.88561
650.0000 -119.36197 -112.82032 6.54165 2.49089 -113.69344 894.43563
655.0000 -120.07961 -114.90291 5.17670 2.49267 -113.66921 893.72761
660.0000 -120.22630 -114.15642 6.06988 2.45493 -114.18148 869.15950
665.0000 -118.67781 -112.88896 5.78885 2.54444 -112.96659 900.69232
670.0000 -117.21932 -111.31615 5.90317 2.61007 -112.07588 933.11716
675.0000 -116.84763 -110.64089 6.20675 2.71710 -110.62329 1033.95899
680.0000 -116.56460 -110.44118 6.12342 2.72934 -110.45709 1058.17654
685.0000 -118.24854 -112.18440 6.06414 2.63469 -111.74179 951.63388
690.0000 -117.98598 -112.79068 5.19530 2.58989 -112.34978 962.33072
695.0000 -118.89297 -113.86132 5.03166 2.51258 -113.39899 879.57162
700.0000 -119.23362 -113.33230 5.90132 2.51206 -113.40609 892.85762
705.0000 -119.34230 -112.82485 6.51744 2.60458 -112.15042 1007.44014
710.0000 -119.41876 -113.02716 6.39160 2.50720 -113.47209 865.30841
715.0000 -117.59621 -112.04533 5.55088 2.56375 -112.70452 944.30406
720.0000 -118.71268 -112.88988 5.82280 2.58811 -112.37398 952.50526
725.0000 -119.39003 -112.83326 6.55677 2.53572 -113.08497 928.55807
730.0000 -118.85589 -112.41618 6.43971 2.53991 -113.02815 948.37283
735.0000 -118.90887 -113.84172 5.06715 2.49802 -113.59671 859.64953
740.0000 -119.91543 -114.48669 5.42874 2.47562 -113.90070 867.25768
745.0000 -120.17627 -115.37917 4.79710 2.39955 -114.93314 804.62410
750.0000 -118.36433 -112.41984 5.94449 2.43555 -114.44451 822.14637
FREEZING PROCESS: loop number 4 T-loop= 923.00000000000000
main_MD> interactions number 4 at Temperature= 923.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17089 -1.78904 0.60619
force_rgl> df(natom) 0.72326 -0.90641 -1.61039
755.0000 -119.29128 -112.92706 6.36423 2.56522 -112.68459 945.69955
760.0000 -118.26298 -112.54906 5.71392 2.56180 -112.73102 948.72571
765.0000 -117.10614 -111.66328 5.44286 2.58904 -112.36129 963.44235
770.0000 -116.76943 -111.34332 5.42611 2.66625 -111.31339 1057.42417
775.0000 -117.72207 -111.69900 6.02307 2.67421 -111.20541 1042.55737
780.0000 -117.79596 -112.14234 5.65362 2.58402 -112.42945 931.48095
785.0000 -117.99204 -110.56598 7.42605 2.70910 -110.73183 1002.60290
790.0000 -116.64263 -111.23541 5.40721 2.74483 -110.24697 1055.88316
795.0000 -118.51646 -112.40594 6.11052 2.71628 -110.63443 1063.43940
800.0000 -119.77305 -112.01652 7.75653 2.59434 -112.28936 921.66043
805.0000 -119.25447 -113.97033 5.28414 2.51604 -113.35202 921.21099
810.0000 -119.79696 -113.98769 5.80927 2.45723 -114.15031 861.52402
815.0000 -118.65948 -113.24822 5.41126 2.47433 -113.91817 873.39695
820.0000 -118.76830 -112.79714 5.97115 2.53659 -113.07324 886.18592
825.0000 -118.37388 -112.62017 5.75371 2.54586 -112.94743 922.39547
830.0000 -117.92470 -111.27459 6.65011 2.57789 -112.51267 959.99143
835.0000 -119.02901 -113.05456 5.97445 2.62599 -111.85987 980.00577
840.0000 -118.97708 -113.41470 5.56238 2.50545 -113.49579 891.88372
845.0000 -118.45541 -113.11526 5.34015 2.50503 -113.50151 888.90242
850.0000 -119.61612 -113.73843 5.87769 2.53433 -113.10385 964.22823
855.0000 -119.34379 -113.33852 6.00527 2.50517 -113.49958 911.79829
860.0000 -120.17259 -113.37828 6.79430 2.52204 -113.27060 894.75934
865.0000 -119.41440 -112.75005 6.66434 2.53760 -113.05940 874.65685
870.0000 -118.90647 -112.98487 5.92160 2.56113 -112.74019 939.41017
875.0000 -120.01955 -113.85436 6.16518 2.52359 -113.24959 878.40802
880.0000 -119.32289 -112.39799 6.92489 2.52434 -113.23938 890.27635
885.0000 -118.60729 -112.20057 6.40671 2.61723 -111.97877 984.10242
890.0000 -117.97228 -109.84867 8.12361 2.68967 -110.99560 1027.38522
895.0000 -119.01340 -112.19815 6.81524 2.65952 -111.40478 1021.38322
900.0000 -119.12755 -112.77867 6.34888 2.55734 -112.79152 927.55086
905.0000 -119.08480 -113.29801 5.78679 2.57859 -112.50319 964.54669
910.0000 -118.08094 -112.50285 5.57809 2.55720 -112.79351 913.65756
915.0000 -117.88814 -111.63379 6.25435 2.58984 -112.35051 904.98776
920.0000 -119.29729 -112.96275 6.33455 2.61185 -112.05175 964.73804
925.0000 -118.88643 -113.43547 5.45096 2.51771 -113.32937 896.23555
930.0000 -118.36975 -112.80986 5.55990 2.51810 -113.32411 904.16100
935.0000 -119.15898 -112.63527 6.52371 2.58124 -112.46725 918.39622
940.0000 -119.27471 -114.22580 5.04892 2.50975 -113.43745 894.40996
945.0000 -117.79378 -112.19213 5.60164 2.59467 -112.28491 963.82321
950.0000 -119.06167 -112.70290 6.35877 2.56461 -112.69294 937.12191
955.0000 -118.91437 -113.37820 5.53617 2.57029 -112.61584 948.68660
960.0000 -119.09586 -112.70867 6.38719 2.54297 -112.98661 896.45474
965.0000 -117.51694 -111.09374 6.42320 2.65448 -111.47310 1004.28306
970.0000 -118.30405 -111.53943 6.76463 2.58556 -112.40852 952.04820
975.0000 -117.78862 -111.04450 6.74412 2.61955 -111.94721 934.20519
980.0000 -117.71028 -112.00652 5.70375 2.65521 -111.46329 990.12439
985.0000 -117.72212 -111.89487 5.82725 2.62491 -111.87444 978.93679
990.0000 -119.11383 -114.17149 4.94234 2.54251 -112.99283 887.08414
995.0000 -117.67583 -111.86593 5.80990 2.57145 -112.60004 950.42351
1000.0000 -118.67841 -112.60732 6.07109 2.60666 -112.12222 908.41201
FREEZING PROCESS: loop number 5 T-loop= 898.00000000000000
main_MD> interactions number 5 at Temperature= 898.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.36843 1.94320 1.08095
force_rgl> df(natom) -0.21275 0.06016 0.27278
1005.0000 -118.72782 -113.14518 5.58264 2.62023 -111.93798 968.69004
1010.0000 -119.32129 -113.16365 6.15764 2.51905 -113.31128 891.71849
1015.0000 -118.92895 -113.58586 5.34308 2.54988 -112.89275 914.88412
1020.0000 -117.93331 -112.49331 5.44000 2.56115 -112.73978 910.56439
1025.0000 -118.84372 -112.32457 6.51915 2.62634 -111.85513 966.11507
1030.0000 -119.33204 -112.95861 6.37342 2.55529 -112.81941 922.97904
1035.0000 -117.82638 -112.00073 5.82565 2.67909 -111.13918 1016.32913
1040.0000 -117.03867 -111.35753 5.68113 2.59675 -112.25667 924.87673
1045.0000 -118.86973 -112.51136 6.35838 2.59070 -112.33876 980.69394
1050.0000 -119.43133 -113.00569 6.42565 2.53652 -113.07419 927.30387
1055.0000 -119.60566 -113.23761 6.36805 2.55661 -112.80153 918.50578
1060.0000 -120.55825 -114.59358 5.96467 2.41753 -114.68913 819.34563
1065.0000 -119.63116 -114.43877 5.19240 2.46155 -114.09156 839.53128
1070.0000 -119.21227 -113.77512 5.43715 2.43739 -114.41948 810.17868
1075.0000 -119.66323 -114.26203 5.40120 2.46610 -114.02994 832.28376
1080.0000 -116.89367 -111.61268 5.28099 2.58696 -112.38953 955.55916
1085.0000 -119.35663 -113.72076 5.63587 2.58688 -112.39070 978.82222
1090.0000 -120.21609 -115.15038 5.06571 2.41988 -114.65713 847.62725
1095.0000 -121.11971 -115.83630 5.28341 2.40944 -114.79884 813.65659
1100.0000 -119.96419 -115.15266 4.81153 2.41421 -114.73418 846.85462
1105.0000 -118.44022 -112.51899 5.92123 2.50626 -113.48481 873.76508
1110.0000 -118.41458 -112.71211 5.70247 2.54469 -112.96321 919.02042
1115.0000 -118.10791 -112.42331 5.68459 2.56769 -112.65115 926.64783
1120.0000 -118.99176 -112.80352 6.18824 2.55763 -112.78767 944.47872
1125.0000 -119.32829 -113.18025 6.14804 2.53081 -113.15162 876.49613
1130.0000 -118.08832 -112.62533 5.46299 2.51798 -113.32581 855.22800
1135.0000 -118.02440 -111.26663 6.75777 2.62177 -111.91706 987.48209
1140.0000 -118.56399 -112.90087 5.66312 2.66540 -111.32493 1017.76042
1145.0000 -118.90219 -114.21066 4.69153 2.46501 -114.04473 840.40054
1150.0000 -119.24155 -113.47769 5.76386 2.43062 -114.51142 828.69115
1155.0000 -119.46578 -113.64412 5.82166 2.44826 -114.27204 863.78030
1160.0000 -118.93613 -113.42507 5.51105 2.49446 -113.64500 888.63406
1165.0000 -118.70481 -111.74769 6.95713 2.54479 -112.96186 923.43735
1170.0000 -118.68469 -113.35196 5.33273 2.58086 -112.47233 955.33892
1175.0000 -118.44817 -111.46701 6.98116 2.61456 -112.01497 961.89903
1180.0000 -119.61963 -113.28342 6.33621 2.53681 -113.07025 975.76093
1185.0000 -119.11256 -112.82575 6.28682 2.57688 -112.52635 929.30644
1190.0000 -118.35154 -112.95475 5.39679 2.59059 -112.34025 953.32682
1195.0000 -118.77938 -113.18338 5.59600 2.53050 -113.15581 909.42714
1200.0000 -118.92352 -112.79962 6.12390 2.59086 -112.33666 954.10306
1205.0000 -118.00511 -112.65498 5.35012 2.51748 -113.33261 914.90477
1210.0000 -119.32989 -112.73264 6.59725 2.55957 -112.76124 898.73841
1215.0000 -118.15528 -111.86264 6.29264 2.56728 -112.65660 926.20060
1220.0000 -118.58678 -112.70420 5.88258 2.59397 -112.29445 943.32981
1225.0000 -119.58268 -113.98433 5.59835 2.50968 -113.43834 894.05558
1230.0000 -120.59329 -114.10684 6.48645 2.52726 -113.19978 943.20453
1235.0000 -119.18030 -114.55595 4.62435 2.43355 -114.47170 840.18974
1240.0000 -119.28275 -114.23667 5.04608 2.40740 -114.82653 844.55933
1245.0000 -118.88889 -113.83572 5.05317 2.48965 -113.71026 874.46959
1250.0000 -120.20063 -114.92926 5.27138 2.49080 -113.69467 886.33761
FREEZING PROCESS: loop number 6 T-loop= 873.00000000000000
main_MD> interactions number 6 at Temperature= 873.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18694 -1.61550 1.43457
force_rgl> df(natom) 1.96088 -1.21465 -0.21765
1255.0000 -119.24713 -112.59812 6.64901 2.44327 -114.33969 847.51162
1260.0000 -118.97929 -112.68270 6.29659 2.56843 -112.64109 933.90804
1265.0000 -118.45531 -111.72299 6.73232 2.54495 -112.95967 941.23280
1270.0000 -118.63150 -112.66541 5.96609 2.61695 -111.98257 984.53950
1275.0000 -119.96474 -113.82817 6.13657 2.53183 -113.13772 910.16829
1280.0000 -117.98323 -113.16899 4.81424 2.52235 -113.26649 913.20278
1285.0000 -119.67629 -113.42206 6.25423 2.49025 -113.70207 891.82892
1290.0000 -120.61638 -115.50483 5.11156 2.41224 -114.76092 832.19930
1295.0000 -119.99031 -114.12949 5.86083 2.41870 -114.67319 844.93904
1300.0000 -120.08975 -114.90079 5.18896 2.42880 -114.53612 819.43910
1305.0000 -120.58717 -114.75840 5.82877 2.41262 -114.75572 836.84639
1310.0000 -119.04405 -113.72834 5.31571 2.47073 -113.96706 832.99299
1315.0000 -118.59915 -112.35171 6.24743 2.55241 -112.85841 900.89235
1320.0000 -117.22575 -110.51126 6.71449 2.70715 -110.75836 1070.70488
1325.0000 -119.74193 -113.89017 5.85175 2.50696 -113.47530 893.86365
1330.0000 -119.75378 -113.00658 6.74721 2.53821 -113.05113 908.57636
1335.0000 -118.77015 -113.11228 5.65787 2.53017 -113.16033 923.23219
1340.0000 -120.27239 -113.55489 6.71750 2.55606 -112.80890 952.43003
1345.0000 -119.52013 -114.74003 4.78010 2.45283 -114.20995 808.51369
1350.0000 -118.97827 -111.16076 7.81751 2.53780 -113.05680 894.04808
1355.0000 -117.77168 -111.79920 5.97248 2.58754 -112.38163 939.35714
1360.0000 -117.93079 -111.85279 6.07800 2.64596 -111.58882 982.72732
1365.0000 -119.76070 -113.37080 6.38990 2.55983 -112.75775 896.89351
1370.0000 -119.19470 -112.38080 6.81390 2.56907 -112.63240 919.99075
1375.0000 -117.96748 -112.22476 5.74273 2.56627 -112.67034 919.57558
1380.0000 -120.08857 -114.03530 6.05326 2.57393 -112.56638 926.27080
1385.0000 -118.85134 -112.82992 6.02142 2.47058 -113.96905 868.08003
1390.0000 -119.20190 -114.01575 5.18615 2.53628 -113.07734 917.33070
1395.0000 -119.12283 -113.04154 6.08129 2.49873 -113.58707 860.77814
1400.0000 -118.79959 -111.73438 7.06520 2.57878 -112.50063 969.23942
1405.0000 -120.16432 -114.85285 5.31147 2.52461 -113.23577 900.67926
1410.0000 -118.82742 -113.86641 4.96102 2.42527 -114.58397 822.67383
1415.0000 -119.97728 -113.78227 6.19501 2.45355 -114.20025 837.40162
1420.0000 -119.29594 -114.08737 5.20857 2.52228 -113.26745 896.52490
1425.0000 -119.48139 -114.58989 4.89150 2.44772 -114.27936 878.04605
1430.0000 -118.68308 -112.68744 5.99564 2.59034 -112.34365 987.07771
1435.0000 -118.82911 -114.10618 4.72293 2.53240 -113.13010 924.66113
1440.0000 -120.47492 -114.21226 6.26266 2.46878 -113.99354 861.09201
1445.0000 -119.42656 -114.21203 5.21453 2.46957 -113.98275 877.56617
1450.0000 -119.36650 -114.58386 4.78263 2.44289 -114.34491 867.22408
1455.0000 -119.58126 -113.84096 5.74030 2.38907 -115.07540 795.00647
1460.0000 -119.26088 -113.87537 5.38551 2.44560 -114.30815 816.16123
1465.0000 -118.80822 -113.26821 5.54000 2.50448 -113.50893 873.74023
1470.0000 -118.14125 -111.87765 6.26361 2.54203 -112.99935 871.39724
1475.0000 -119.32545 -113.16002 6.16542 2.57154 -112.59888 943.00469
1480.0000 -117.62778 -112.06290 5.56488 2.56730 -112.65639 942.43030
1485.0000 -120.17402 -114.83480 5.33922 2.56037 -112.75047 923.53650
1490.0000 -119.83765 -114.60216 5.23549 2.42937 -114.52843 810.40895
1495.0000 -118.92075 -112.48154 6.43921 2.46775 -114.00751 854.68166
1500.0000 -119.68754 -114.47999 5.20755 2.50115 -113.55421 898.49711
FREEZING PROCESS: loop number 7 T-loop= 848.00000000000000
main_MD> interactions number 7 at Temperature= 848.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64306 1.14439 0.27598
force_rgl> df(natom) -4.88561 -0.67513 1.97865
1505.0000 -119.91093 -114.06956 5.84137 2.48172 -113.81792 859.35561
1510.0000 -119.98552 -113.80594 6.17959 2.43787 -114.41300 855.62742
1515.0000 -118.81994 -113.25852 5.56142 2.51991 -113.29950 889.44701
1520.0000 -119.37357 -113.42893 5.94464 2.46004 -114.11217 813.66950
1525.0000 -119.83117 -113.92281 5.90836 2.45267 -114.21209 866.30003
1530.0000 -118.82083 -113.77557 5.04527 2.44764 -114.28036 845.01982
1535.0000 -118.79331 -113.46191 5.33141 2.52624 -113.21363 916.05278
1540.0000 -119.61235 -113.87977 5.73259 2.55014 -112.88921 926.53628
1545.0000 -119.04957 -114.15897 4.89060 2.39987 -114.92881 812.57884
1550.0000 -118.11757 -112.28752 5.83006 2.49415 -113.64914 874.00108
1555.0000 -119.96726 -115.17427 4.79300 2.43860 -114.40313 819.66706
1560.0000 -120.02895 -115.22753 4.80143 2.39673 -114.97142 827.40746
1565.0000 -121.56121 -116.27725 5.28396 2.36772 -115.36513 784.24885
1570.0000 -120.25368 -114.67671 5.57697 2.35599 -115.52424 781.08234
1575.0000 -119.40715 -114.12600 5.28115 2.45882 -114.12874 852.04611
1580.0000 -119.66764 -115.47271 4.19494 2.42061 -114.64721 842.58487
1585.0000 -118.77285 -112.95834 5.81451 2.46831 -113.99981 865.13432
1590.0000 -121.25504 -115.59624 5.65880 2.47111 -113.96193 864.87992
1595.0000 -120.01875 -114.78306 5.23568 2.38563 -115.12203 803.85180
1600.0000 -117.83329 -112.11988 5.71341 2.48957 -113.71128 881.79350
1605.0000 -120.08369 -114.87686 5.20683 2.53511 -113.09324 921.57576
1610.0000 -120.60556 -115.27892 5.32664 2.38029 -115.19446 806.22497
1615.0000 -120.62431 -115.44407 5.18024 2.41426 -114.73343 836.26800
1620.0000 -120.27226 -114.34574 5.92652 2.43102 -114.50592 849.37434
1625.0000 -119.33252 -112.92809 6.40442 2.49598 -113.62435 867.01723
1630.0000 -119.89928 -114.21532 5.68396 2.50326 -113.52556 878.36105
1635.0000 -119.88844 -114.96825 4.92019 2.43718 -114.42233 827.34401
1640.0000 -120.14216 -115.11776 5.02441 2.36885 -115.34973 754.41907
1645.0000 -119.57398 -114.13910 5.43488 2.47548 -113.90261 864.77094
1650.0000 -119.16825 -113.55629 5.61196 2.47692 -113.88297 846.34618
1655.0000 -120.30728 -113.96252 6.34476 2.48282 -113.80293 856.88656
1660.0000 -119.43339 -113.54326 5.89013 2.48340 -113.79510 898.75941
1665.0000 -120.57002 -115.18830 5.38171 2.42031 -114.65132 822.45432
1670.0000 -120.69728 -115.20831 5.48897 2.35554 -115.53035 761.49769
1675.0000 -120.19759 -113.87515 6.32244 2.44699 -114.28925 844.39650
1680.0000 -119.47409 -114.97530 4.49879 2.43464 -114.45681 844.25607
1685.0000 -118.96236 -113.78007 5.18229 2.43715 -114.42283 855.17868
1690.0000 -120.08589 -114.30490 5.78099 2.44352 -114.33629 831.53128
1695.0000 -118.35131 -112.71472 5.63660 2.53043 -113.15675 895.83743
1700.0000 -118.42852 -112.51917 5.90934 2.50922 -113.44467 884.88240
1705.0000 -118.73588 -113.25441 5.48147 2.52883 -113.17853 874.14006
1710.0000 -118.66365 -112.46524 6.19840 2.58037 -112.47900 945.98450
1715.0000 -119.41674 -113.51207 5.90468 2.53960 -113.03230 944.30340
1720.0000 -118.33565 -114.16799 4.16766 2.42482 -114.59013 803.94005
1725.0000 -118.93833 -113.27113 5.66720 2.53402 -113.10807 918.74798
1730.0000 -120.14837 -113.97455 6.17382 2.52400 -113.24405 890.96546
1735.0000 -119.96848 -115.16277 4.80572 2.45963 -114.11763 866.45447
1740.0000 -121.76742 -116.89076 4.87666 2.32162 -115.99076 747.40295
1745.0000 -120.51863 -115.67992 4.83871 2.29718 -116.32252 745.91409
1750.0000 -119.09666 -113.38084 5.71582 2.43914 -114.39575 845.31210
FREEZING PROCESS: loop number 8 T-loop= 823.00000000000000
main_MD> interactions number 8 at Temperature= 823.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75905 1.48826 0.44711
force_rgl> df(natom) 0.23425 -0.58388 -4.01804
1755.0000 -118.91935 -113.44596 5.47339 2.54910 -112.90337 933.06211
1760.0000 -119.47917 -113.64163 5.83754 2.53341 -113.11633 911.89598
1765.0000 -118.24188 -113.40067 4.84121 2.50519 -113.49930 844.26763
1770.0000 -121.20622 -115.88492 5.32130 2.42915 -114.53142 824.10845
1775.0000 -121.13801 -116.04328 5.09473 2.34606 -115.65908 799.29736
1780.0000 -121.26184 -116.59754 4.66430 2.28371 -116.50529 731.03418
1785.0000 -120.64271 -115.75759 4.88513 2.34336 -115.69571 760.90980
1790.0000 -120.36085 -114.58540 5.77545 2.41047 -114.78488 806.15809
1795.0000 -120.29665 -115.33736 4.95929 2.38194 -115.17210 801.68920
1800.0000 -120.14322 -114.61783 5.52538 2.40247 -114.89349 825.40663
1805.0000 -120.65790 -115.14708 5.51082 2.41912 -114.66754 873.75171
1810.0000 -120.55947 -115.85512 4.70435 2.35586 -115.52606 798.78053
1815.0000 -120.79690 -115.39841 5.39849 2.32245 -115.97955 759.05194
1820.0000 -120.06727 -114.82680 5.24047 2.40534 -114.85458 821.57394
1825.0000 -122.44727 -117.32998 5.11729 2.36266 -115.43383 786.98516
1830.0000 -120.11076 -115.37835 4.73241 2.28006 -116.55488 725.50713
1835.0000 -118.82932 -114.92224 3.90708 2.37561 -115.25806 787.78831
1840.0000 -119.96916 -115.98179 3.98737 2.38974 -115.06624 787.37085
1845.0000 -121.43920 -115.71051 5.72869 2.30211 -116.25553 719.71986
1850.0000 -120.24974 -114.05669 6.19306 2.41497 -114.72384 835.50785
1855.0000 -119.22712 -113.69751 5.52962 2.50017 -113.56750 911.83802
1860.0000 -119.24506 -113.89662 5.34844 2.44984 -114.25056 864.37881
1865.0000 -120.56842 -115.18918 5.37924 2.41734 -114.69171 788.87485
1870.0000 -120.57222 -115.41846 5.15376 2.39134 -115.04449 783.04082
1875.0000 -118.43853 -113.09702 5.34151 2.44977 -114.25144 864.03326
1880.0000 -118.52479 -113.62521 4.89958 2.50770 -113.46527 850.48101
1885.0000 -119.28849 -114.00320 5.28529 2.47306 -113.93543 862.72089
1890.0000 -121.21848 -115.58209 5.63639 2.39447 -115.00209 772.19880
1895.0000 -119.78886 -115.02494 4.76392 2.39787 -114.95586 777.54020
1900.0000 -120.93954 -114.99520 5.94434 2.38504 -115.12999 791.68240
1905.0000 -118.79408 -113.06144 5.73264 2.53880 -113.04319 912.23282
1910.0000 -120.29571 -115.00179 5.29392 2.43212 -114.49111 809.90716
1915.0000 -120.45585 -115.38266 5.07319 2.39906 -114.93980 803.51666
1920.0000 -120.78760 -115.61887 5.16873 2.33635 -115.79080 795.31678
1925.0000 -120.24163 -114.82545 5.41619 2.37479 -115.26914 807.77803
1930.0000 -120.88362 -116.04670 4.83693 2.35863 -115.48844 771.10923
1935.0000 -121.16753 -116.57028 4.59725 2.32221 -115.98279 732.90761
1940.0000 -121.36655 -116.13881 5.22774 2.27838 -116.57761 723.08889
1945.0000 -120.86343 -116.49327 4.37016 2.27669 -116.60055 708.92131
1950.0000 -120.09705 -114.25529 5.84177 2.33009 -115.87575 728.82959
1955.0000 -119.87673 -114.29463 5.58210 2.44929 -114.25808 845.80023
1960.0000 -120.16002 -115.10174 5.05828 2.44461 -114.32147 827.34421
1965.0000 -120.58619 -114.24933 6.33686 2.40499 -114.85931 800.72534
1970.0000 -120.28872 -115.63746 4.65125 2.35877 -115.48656 764.84584
1975.0000 -119.99749 -114.54949 5.44801 2.35984 -115.47210 761.62957
1980.0000 -119.85379 -114.78374 5.07005 2.45259 -114.21328 818.91032
1985.0000 -119.27106 -114.77647 4.49459 2.37586 -115.25468 764.53817
1990.0000 -119.61355 -114.47982 5.13372 2.39149 -115.04251 767.26606
1995.0000 -119.99676 -114.36142 5.63534 2.52619 -113.21430 939.85770
2000.0000 -120.26026 -114.99972 5.26054 2.42152 -114.63492 806.63844
FREEZING PROCESS: loop number 9 T-loop= 798.00000000000000
main_MD> interactions number 9 at Temperature= 798.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.83128 0.28603 1.86126
force_rgl> df(natom) -2.74776 -1.95739 -2.61275
2005.0000 -121.07793 -114.98393 6.09400 2.38620 -115.11434 800.61588
2010.0000 -120.94028 -115.35299 5.58729 2.39206 -115.03476 821.40955
2015.0000 -119.48486 -113.95914 5.52572 2.42555 -114.58023 821.20396
2020.0000 -118.78585 -112.15029 6.63555 2.50775 -113.46455 862.30488
2025.0000 -118.29968 -114.13909 4.16059 2.48771 -113.73662 826.90057
2030.0000 -119.47617 -114.46985 5.00632 2.46651 -114.02427 801.47688
2035.0000 -120.32481 -114.75444 5.57037 2.44521 -114.31336 839.92731
2040.0000 -118.38637 -112.77260 5.61377 2.49968 -113.57408 846.08537
2045.0000 -119.44153 -113.55204 5.88950 2.51604 -113.35208 873.76369
2050.0000 -121.08299 -116.04649 5.03650 2.40527 -114.85542 787.11889
2055.0000 -120.01642 -114.39378 5.62264 2.36536 -115.39716 793.82264
2060.0000 -118.41747 -112.97926 5.43821 2.50855 -113.45370 903.77882
2065.0000 -118.97420 -112.98152 5.99268 2.55395 -112.83754 945.66491
2070.0000 -120.13050 -114.12357 6.00693 2.47310 -113.93488 859.77295
2075.0000 -119.50335 -114.00222 5.50113 2.45266 -114.21224 864.88821
2080.0000 -119.09256 -112.81585 6.27671 2.51500 -113.36617 866.08395
2085.0000 -120.23199 -115.32018 4.91181 2.50042 -113.56410 884.12486
2090.0000 -120.02099 -115.11959 4.90140 2.39432 -115.00412 829.93240
2095.0000 -119.46493 -113.59232 5.87261 2.46727 -114.01406 880.34712
2100.0000 -119.23348 -114.78137 4.45211 2.48637 -113.75481 863.16195
2105.0000 -120.74779 -116.17922 4.56857 2.39576 -114.98453 791.43831
2110.0000 -122.19521 -115.92326 6.27195 2.30462 -116.22152 743.61549
2115.0000 -120.17445 -115.69678 4.47767 2.34664 -115.65115 787.46947
2120.0000 -120.48039 -115.83530 4.64509 2.38661 -115.10871 769.81292
2125.0000 -121.09156 -115.88522 5.20634 2.30144 -116.26465 725.83077
2130.0000 -122.08839 -117.92132 4.16707 2.25867 -116.84510 681.79867
2135.0000 -120.60444 -116.37113 4.23332 2.25835 -116.84949 729.67566
2140.0000 -120.06503 -114.68386 5.38117 2.36995 -115.33483 788.79253
2145.0000 -119.94127 -115.31505 4.62622 2.44396 -114.33039 836.12801
2150.0000 -119.88201 -114.64464 5.23737 2.36646 -115.38217 765.03649
2155.0000 -120.06377 -114.35436 5.70941 2.46751 -114.01076 847.17666
2160.0000 -120.85792 -115.55700 5.30092 2.38627 -115.11327 802.77225
2165.0000 -121.30706 -116.20715 5.09991 2.32161 -115.99096 735.94163
2170.0000 -121.53437 -117.08393 4.45045 2.31024 -116.14516 745.73843
2175.0000 -119.92839 -115.19737 4.73101 2.28402 -116.50103 725.64162
2180.0000 -119.85452 -115.14235 4.71217 2.37916 -115.20985 815.97321
2185.0000 -119.88472 -114.87350 5.01122 2.40602 -114.84530 807.60466
2190.0000 -121.57164 -116.31891 5.25272 2.35165 -115.58315 769.62137
2195.0000 -120.08158 -115.34518 4.73640 2.37183 -115.30930 791.22032
2200.0000 -121.80822 -115.84225 5.96597 2.35139 -115.58667 779.38929
2205.0000 -120.99479 -116.32139 4.67340 2.34082 -115.73012 775.82948
2210.0000 -121.37038 -117.07789 4.29249 2.27757 -116.58864 720.84267
2215.0000 -120.47529 -115.49151 4.98378 2.30452 -116.22283 746.16233
2220.0000 -119.22975 -113.68788 5.54187 2.41039 -114.78603 838.75891
2225.0000 -119.63590 -113.24329 6.39262 2.49342 -113.65907 848.69982
2230.0000 -119.44136 -114.58965 4.85171 2.46863 -113.99555 861.20218
2235.0000 -119.69078 -114.88184 4.80893 2.35850 -115.49026 748.72383
2240.0000 -119.96636 -116.16994 3.79642 2.33357 -115.82855 742.49624
2245.0000 -120.62341 -115.91425 4.70916 2.38620 -115.11433 809.91459
2250.0000 -119.99457 -114.27579 5.71878 2.37941 -115.20641 782.88436
FREEZING PROCESS: loop number 10 T-loop= 773.00000000000000
main_MD> interactions number 10 at Temperature= 773.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79089 0.41494 -1.60746
force_rgl> df(natom) -1.25631 2.28470 0.84668
2255.0000 -118.90306 -114.24280 4.66026 2.42869 -114.53767 819.61990
2260.0000 -120.58173 -115.44373 5.13800 2.37564 -115.25758 791.50223
2265.0000 -120.41314 -115.59273 4.82041 2.37757 -115.23147 791.03391
2270.0000 -119.90012 -114.61504 5.28509 2.37251 -115.30011 791.37900
2275.0000 -119.05685 -112.89434 6.16251 2.48646 -113.75350 887.82135
2280.0000 -119.69190 -115.19459 4.49731 2.49635 -113.61928 897.92686
2285.0000 -121.76298 -116.54085 5.22213 2.34690 -115.64772 759.81998
2290.0000 -121.40564 -117.91108 3.49456 2.23510 -117.16499 698.84813
2295.0000 -120.69782 -116.83575 3.86207 2.20822 -117.52989 656.33940
2300.0000 -121.41921 -116.48371 4.93549 2.24320 -117.05503 649.98750
2305.0000 -120.88522 -115.71304 5.17218 2.32852 -115.89711 719.07064
2310.0000 -120.54489 -115.99270 4.55218 2.34938 -115.61396 774.36798
2315.0000 -121.25883 -117.02447 4.23435 2.27170 -116.66828 709.18653
2320.0000 -121.24835 -115.16870 6.07965 2.34855 -115.62531 765.34448
2325.0000 -121.16600 -115.74564 5.42036 2.37656 -115.24507 787.06786
2330.0000 -120.77471 -116.10841 4.66630 2.28303 -116.51457 732.92472
2335.0000 -120.91333 -115.53270 5.38063 2.34182 -115.71664 735.20140
2340.0000 -121.03400 -116.31745 4.71655 2.35673 -115.51429 770.41167
2345.0000 -120.59635 -115.96650 4.62984 2.34563 -115.66492 774.46363
2350.0000 -120.20397 -115.20122 5.00274 2.40191 -114.90108 802.49120
2355.0000 -120.20839 -115.36995 4.83843 2.37994 -115.19923 765.01176
2360.0000 -120.68785 -116.16328 4.52457 2.38011 -115.19695 765.84569
2365.0000 -120.29552 -115.77945 4.51607 2.34977 -115.60874 766.83753
2370.0000 -120.06011 -115.34466 4.71545 2.36536 -115.39708 766.93597
2375.0000 -119.95781 -115.21574 4.74207 2.33423 -115.81964 734.47807
2380.0000 -119.63585 -114.64869 4.98716 2.38393 -115.14512 775.44449
2385.0000 -120.86418 -116.66869 4.19548 2.40264 -114.89118 776.53079
2390.0000 -120.54290 -114.93309 5.60981 2.35100 -115.59200 783.96916
2395.0000 -121.13701 -116.62224 4.51477 2.30843 -116.16976 709.63543
2400.0000 -121.21382 -115.81711 5.39671 2.33643 -115.78982 738.24079
2405.0000 -120.71840 -116.20033 4.51807 2.30707 -116.18820 733.11443
2410.0000 -119.44384 -115.14443 4.29941 2.34153 -115.72050 762.54659
2415.0000 -120.14884 -115.67892 4.46993 2.34816 -115.63058 777.56941
2420.0000 -122.01245 -116.86276 5.14970 2.27900 -116.56918 753.78683
2425.0000 -120.99751 -115.51704 5.48047 2.30890 -116.16335 767.91797
2430.0000 -120.88569 -116.05214 4.83354 2.33188 -115.85155 775.02392
2435.0000 -120.60564 -115.53386 5.07178 2.31191 -116.12262 748.16849
2440.0000 -119.85415 -114.83975 5.01440 2.40788 -114.82003 819.64786
2445.0000 -120.57854 -114.94749 5.63105 2.38108 -115.18376 791.15651
2450.0000 -120.30576 -116.38554 3.92022 2.38348 -115.15126 788.04574
2455.0000 -121.20879 -117.24743 3.96135 2.30286 -116.24532 711.89916
2460.0000 -120.20536 -115.26208 4.94328 2.33791 -115.76970 798.30334
2465.0000 -119.91022 -114.61521 5.29501 2.42166 -114.63296 857.82780
2470.0000 -121.65218 -116.74356 4.90861 2.30470 -116.22040 729.36429
2475.0000 -120.27172 -115.16186 5.10986 2.37799 -115.22570 791.26255
2480.0000 -119.77691 -115.04265 4.73426 2.37295 -115.29406 808.25446
2485.0000 -119.88316 -114.82445 5.05871 2.41704 -114.69568 850.74943
2490.0000 -120.85181 -115.13953 5.71228 2.40460 -114.86454 831.72877
2495.0000 -120.39009 -115.20057 5.18952 2.31654 -116.05972 745.12784
2500.0000 -120.39793 -115.45750 4.94043 2.36598 -115.38869 770.35176
FREEZING PROCESS: loop number 11 T-loop= 748.00000000000000
main_MD> interactions number 11 at Temperature= 748.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88407 1.22709 -0.28209
force_rgl> df(natom) -1.19981 -0.52017 3.90733
2505.0000 -120.87704 -115.48108 5.39596 2.39607 -114.98032 796.88424
2510.0000 -121.09226 -115.99409 5.09816 2.33692 -115.78310 759.80622
2515.0000 -121.23190 -116.47807 4.75384 2.30785 -116.17768 725.56601
2520.0000 -120.24303 -115.23812 5.00491 2.32585 -115.93339 768.62125
2525.0000 -120.13722 -115.35544 4.78177 2.36218 -115.44033 770.72790
2530.0000 -119.83708 -115.10196 4.73512 2.34197 -115.71451 785.61530
2535.0000 -121.86304 -116.90259 4.96045 2.34061 -115.73309 781.60009
2540.0000 -122.54842 -118.19453 4.35389 2.22986 -117.23618 707.02436
2545.0000 -120.68336 -116.13354 4.54982 2.23367 -117.18438 661.97588
2550.0000 -120.74611 -116.15372 4.59239 2.28810 -116.44567 725.97203
2555.0000 -121.29071 -116.66943 4.62128 2.28176 -116.53180 723.11643
2560.0000 -121.87389 -117.09616 4.77773 2.24316 -117.05560 678.39170
2565.0000 -121.29297 -116.16431 5.12866 2.29784 -116.31349 702.19205
2570.0000 -121.14250 -116.22944 4.91306 2.31670 -116.05759 748.38019
2575.0000 -120.73912 -116.30360 4.43552 2.28306 -116.51414 717.49526
2580.0000 -121.11734 -115.88852 5.22882 2.28277 -116.51803 728.09824
2585.0000 -120.93712 -116.53060 4.40652 2.30823 -116.17247 763.87758
2590.0000 -120.45089 -116.36249 4.08840 2.29262 -116.38434 749.73647
2595.0000 -121.92282 -117.67510 4.24772 2.25736 -116.86296 718.46833
2600.0000 -121.56659 -116.00734 5.55925 2.28310 -116.51350 747.39904
2605.0000 -120.57241 -115.83839 4.73402 2.33311 -115.83486 737.69070
2610.0000 -120.88114 -116.34131 4.53983 2.26529 -116.75523 722.17080
2615.0000 -119.95590 -115.03165 4.92425 2.33556 -115.80161 791.72983
2620.0000 -120.03072 -115.53835 4.49237 2.36341 -115.42364 754.23587
2625.0000 -119.81025 -114.59061 5.21964 2.40158 -114.90555 828.40271
2630.0000 -121.22178 -116.33535 4.88644 2.35039 -115.60031 780.96114
2635.0000 -120.97203 -115.84572 5.12631 2.29958 -116.28988 725.94695
2640.0000 -120.72647 -116.85466 3.87180 2.28897 -116.43390 722.46186
2645.0000 -121.40141 -116.84335 4.55806 2.25407 -116.90758 639.33535
2650.0000 -122.03557 -116.83728 5.19829 2.21121 -117.48927 667.80135
2655.0000 -121.00709 -115.96794 5.03915 2.32022 -116.00978 751.84282
2660.0000 -120.86168 -116.45971 4.40197 2.28031 -116.55142 734.37302
2665.0000 -120.56566 -115.51381 5.05184 2.33219 -115.84728 765.94862
2670.0000 -120.85538 -115.84385 5.01153 2.37086 -115.32246 775.27352
2675.0000 -120.77797 -116.79808 3.97989 2.31862 -116.03150 729.45841
2680.0000 -121.17692 -116.34899 4.82793 2.28532 -116.48341 713.20114
2685.0000 -121.09929 -115.41887 5.68042 2.34833 -115.62831 754.83916
2690.0000 -120.79720 -116.38463 4.41257 2.33843 -115.76259 749.46349
2695.0000 -121.11643 -116.06479 5.05164 2.30507 -116.21541 730.46428
2700.0000 -120.21900 -115.67339 4.54561 2.27743 -116.59046 715.57652
2705.0000 -120.28205 -116.06454 4.21751 2.30678 -116.19224 754.36657
2710.0000 -121.42480 -116.95887 4.46593 2.30287 -116.24522 735.39091
2715.0000 -120.77148 -115.60711 5.16438 2.27380 -116.63979 694.45834
2720.0000 -120.68623 -115.97203 4.71421 2.32382 -115.96098 752.13960
2725.0000 -123.22170 -118.98843 4.23326 2.19928 -117.65120 668.84549
2730.0000 -121.52073 -117.41287 4.10786 2.17926 -117.92290 669.88176
2735.0000 -121.57718 -117.47714 4.10004 2.21858 -117.38928 704.39027
2740.0000 -121.76983 -117.28260 4.48722 2.21442 -117.44575 661.96403
2745.0000 -122.26551 -117.25404 5.01147 2.22283 -117.33162 706.63920
2750.0000 -121.21849 -116.23289 4.98560 2.27825 -116.57945 712.24869
FREEZING PROCESS: loop number 12 T-loop= 723.00000000000000
main_MD> interactions number 12 at Temperature= 723.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15501 -1.10445 0.98425
force_rgl> df(natom) -0.47407 -1.81091 0.71627
2755.0000 -120.96537 -115.83028 5.13509 2.34043 -115.73551 762.13637
2760.0000 -119.65179 -113.69341 5.95837 2.42232 -114.62411 842.70831
2765.0000 -120.24536 -114.96406 5.28130 2.41712 -114.69461 808.78947
2770.0000 -118.57807 -114.60121 3.97685 2.38776 -115.09313 780.98267
2775.0000 -120.13452 -114.29778 5.83674 2.44078 -114.37358 824.24602
2780.0000 -120.44794 -116.17772 4.27022 2.36571 -115.39237 781.25208
2785.0000 -120.83823 -115.94837 4.88985 2.33062 -115.86867 731.06245
2790.0000 -120.84443 -116.49084 4.35359 2.30044 -116.27819 701.68051
2795.0000 -120.60908 -115.80845 4.80063 2.32242 -115.97985 734.99204
2800.0000 -121.23310 -116.85431 4.37879 2.27898 -116.56942 702.45251
2805.0000 -120.28665 -116.14102 4.14563 2.35061 -115.59727 768.18059
2810.0000 -120.17399 -115.64872 4.52527 2.32870 -115.89472 714.03792
2815.0000 -121.43871 -117.19606 4.24264 2.26794 -116.71926 676.23195
2820.0000 -121.08878 -116.03513 5.05365 2.28323 -116.51183 722.63688
2825.0000 -122.25845 -118.15216 4.10630 2.24754 -116.99614 669.86260
2830.0000 -121.20835 -116.79686 4.41148 2.23923 -117.10895 705.31694
2835.0000 -121.75124 -117.58915 4.16210 2.24708 -117.00238 707.59189
2840.0000 -121.54971 -117.77534 3.77436 2.22022 -117.36700 657.82794
2845.0000 -121.38796 -117.45612 3.93184 2.23965 -117.10327 671.79996
2850.0000 -121.65724 -116.84647 4.81077 2.25195 -116.93631 684.12944
2855.0000 -121.12116 -117.53186 3.58930 2.24376 -117.04752 688.09739
2860.0000 -121.00974 -116.79768 4.21206 2.22145 -117.35035 673.36884
2865.0000 -121.38311 -117.53529 3.84782 2.21853 -117.38991 676.44157
2870.0000 -121.07398 -116.83277 4.24122 2.23343 -117.18766 669.32968
2875.0000 -120.74673 -116.80273 3.94400 2.25935 -116.83586 720.24429
2880.0000 -120.61663 -116.12172 4.49492 2.27321 -116.64786 704.40900
2885.0000 -121.79568 -116.60186 5.19382 2.30341 -116.23786 739.50102
2890.0000 -122.09635 -117.02499 5.07136 2.30005 -116.28356 757.77569
2895.0000 -121.82744 -117.52446 4.30299 2.19367 -117.72733 654.03987
2900.0000 -122.02801 -117.50336 4.52465 2.19586 -117.69756 681.03393
2905.0000 -120.86428 -115.33996 5.52432 2.29517 -116.34969 758.30860
2910.0000 -121.04725 -115.86230 5.18495 2.33058 -115.86918 782.71306
2915.0000 -121.76367 -118.10821 3.65546 2.24960 -116.96822 696.69622
2920.0000 -122.49057 -117.85759 4.63298 2.20493 -117.57448 679.11955
2925.0000 -121.35536 -116.45548 4.89988 2.22320 -117.32655 684.31024
2930.0000 -121.32922 -115.98672 5.34250 2.33453 -115.81552 770.99653
2935.0000 -120.23288 -116.55420 3.67867 2.28162 -116.53363 715.32170
2940.0000 -122.20922 -117.44780 4.76142 2.22845 -117.25534 630.55072
2945.0000 -122.05216 -116.01792 6.03424 2.21994 -117.37084 681.64883
2950.0000 -120.98133 -116.09605 4.88528 2.34907 -115.61827 776.57479
2955.0000 -120.60878 -116.00073 4.60805 2.30016 -116.28205 721.90725
2960.0000 -121.11863 -117.55892 3.55972 2.27645 -116.60387 706.53136
2965.0000 -120.92122 -116.46832 4.45290 2.26175 -116.80332 705.03253
2970.0000 -120.04716 -116.26744 3.77972 2.28592 -116.47529 706.25200
2975.0000 -121.43504 -116.76240 4.67264 2.27262 -116.65575 727.34464
2980.0000 -121.69065 -117.21871 4.47194 2.25298 -116.92238 695.83729
2985.0000 -121.62661 -117.59143 4.03518 2.21063 -117.49713 676.21171
2990.0000 -121.11027 -116.37710 4.73317 2.21147 -117.48577 670.40922
2995.0000 -121.35611 -116.54549 4.81062 2.30663 -116.19427 731.66876
3000.0000 -120.13798 -115.85178 4.28620 2.31206 -116.12056 724.55039
FREEZING PROCESS: loop number 13 T-loop= 698.00000000000000
main_MD> interactions number 13 at Temperature= 698.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.15501 -2.26527 1.67576
force_rgl> df(natom) 1.14869 0.87447 -1.05344
3005.0000 -121.23211 -116.10251 5.12960 2.28135 -116.53728 729.49054
3010.0000 -120.58992 -115.88309 4.70683 2.33275 -115.83969 764.76813
3015.0000 -121.18861 -115.83925 5.34936 2.34006 -115.74043 727.24968
3020.0000 -121.23628 -116.50759 4.72869 2.30321 -116.24060 743.40142
3025.0000 -121.06774 -116.16729 4.90045 2.31791 -116.04107 739.94799
3030.0000 -120.97389 -115.95907 5.01482 2.33949 -115.74828 771.57664
3035.0000 -120.52706 -115.85214 4.67492 2.25981 -116.82960 671.50770
3040.0000 -122.19920 -117.85945 4.33975 2.29370 -116.36970 754.19821
3045.0000 -122.15893 -117.79628 4.36264 2.22958 -117.23991 703.60774
3050.0000 -121.29353 -117.23933 4.05420 2.18925 -117.78731 650.29416
3055.0000 -121.28833 -117.18719 4.10114 2.20259 -117.60629 656.25439
3060.0000 -120.81680 -116.78003 4.03677 2.26500 -116.75918 705.05747
3065.0000 -120.79750 -116.37238 4.42512 2.26743 -116.72625 684.67627
3070.0000 -121.51321 -116.77147 4.74174 2.28875 -116.43693 715.91297
3075.0000 -121.90426 -116.98454 4.91972 2.23892 -117.11316 697.89424
3080.0000 -120.78785 -116.54810 4.23974 2.29832 -116.30697 750.15289
3085.0000 -121.91634 -117.27217 4.64417 2.25915 -116.83868 699.42079
3090.0000 -122.27499 -117.50242 4.77257 2.29508 -116.35092 729.02387
3095.0000 -121.53966 -118.02101 3.51865 2.17935 -117.92162 597.66872
3100.0000 -121.02335 -116.82574 4.19761 2.23401 -117.17981 655.85023
3105.0000 -120.93694 -116.42535 4.51159 2.30783 -116.17798 724.76232
3110.0000 -121.77923 -117.13678 4.64246 2.21319 -117.46237 685.63383
3115.0000 -121.68933 -117.46840 4.22092 2.23376 -117.18325 667.30025
3120.0000 -121.91051 -116.71036 5.20016 2.24051 -117.09154 716.40594
3125.0000 -122.00067 -117.57243 4.42823 2.24303 -117.05743 707.01956
3130.0000 -122.81534 -118.88591 3.92943 2.16011 -118.18278 618.58648
3135.0000 -122.17920 -117.78679 4.39241 2.11019 -118.86034 592.14529
3140.0000 -122.72778 -117.93737 4.79041 2.18413 -117.85674 658.39664
3145.0000 -121.49195 -117.00956 4.48239 2.19915 -117.65289 669.93308
3150.0000 -122.46703 -118.56737 3.89967 2.17469 -117.98487 654.34303
3155.0000 -123.31277 -118.56017 4.75260 2.13340 -118.54537 606.82821
3160.0000 -122.28036 -118.59241 3.68795 2.13068 -118.58220 638.87805
3165.0000 -122.19030 -117.92306 4.26724 2.17945 -117.92033 646.37689
3170.0000 -121.01954 -116.32757 4.69197 2.19134 -117.75892 645.76870
3175.0000 -121.49838 -117.34649 4.15189 2.26079 -116.81630 728.40899
3180.0000 -121.36955 -117.46393 3.90562 2.22396 -117.31620 696.20116
3185.0000 -121.51174 -117.65240 3.85934 2.21968 -117.37434 672.33259
3190.0000 -120.85629 -116.48473 4.37157 2.23134 -117.21610 664.00330
3195.0000 -122.01890 -118.12360 3.89529 2.21911 -117.38207 625.23015
3200.0000 -121.84759 -117.63429 4.21331 2.21694 -117.41151 654.99191
3205.0000 -120.46331 -115.94373 4.51958 2.24290 -117.05914 685.65722
3210.0000 -122.01478 -117.09935 4.91543 2.25720 -116.86515 681.02004
3215.0000 -121.38277 -117.51794 3.86483 2.19179 -117.75278 643.94725
3220.0000 -122.71150 -117.99152 4.71998 2.19260 -117.74187 653.13111
3225.0000 -121.45235 -116.58209 4.87026 2.25616 -116.87927 718.42728
3230.0000 -121.41246 -117.44029 3.97217 2.25031 -116.95862 694.11911
3235.0000 -120.99464 -116.14403 4.85061 2.18987 -117.77891 653.85871
3240.0000 -121.54356 -117.65751 3.88604 2.27796 -116.58326 720.67239
3245.0000 -121.93586 -117.32402 4.61184 2.23583 -117.15508 710.27551
3250.0000 -121.20158 -116.07775 5.12383 2.26306 -116.78551 739.99930
FREEZING PROCESS: loop number 14 T-loop= 673.00000000000000
main_MD> interactions number 14 at Temperature= 673.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32877 0.47778 -0.17311
force_rgl> df(natom) 0.97733 1.18390 0.22011
3255.0000 -121.94888 -118.05937 3.88951 2.24538 -117.02545 724.72210
3260.0000 -123.42151 -118.80929 4.61222 2.17735 -117.94885 660.00333
3265.0000 -122.86475 -119.54743 3.31732 2.09249 -119.10054 571.71376
3270.0000 -122.63088 -118.40971 4.22117 2.10431 -118.94007 568.85463
3275.0000 -121.22602 -117.70502 3.52100 2.18707 -117.81691 628.00251
3280.0000 -122.40873 -118.49090 3.91784 2.21171 -117.48248 679.62628
3285.0000 -121.93649 -118.49144 3.44505 2.17099 -118.03515 647.50679
3290.0000 -122.05703 -117.70796 4.34907 2.17990 -117.91423 656.33320
3295.0000 -121.54361 -116.84568 4.69792 2.17680 -117.95621 647.50942
3300.0000 -120.45958 -116.16514 4.29444 2.28693 -116.46162 686.86010
3305.0000 -122.50112 -117.38608 5.11504 2.22902 -117.24748 688.72592
3310.0000 -121.93445 -117.74364 4.19081 2.20831 -117.52863 641.13715
3315.0000 -121.87484 -118.40658 3.46826 2.16007 -118.18339 644.18822
3320.0000 -121.92216 -117.70054 4.22162 2.16790 -118.07703 646.37559
3325.0000 -120.69614 -115.91464 4.78151 2.25483 -116.89720 678.70785
3330.0000 -120.87892 -115.86936 5.00956 2.31308 -116.10673 726.17643
3335.0000 -121.52446 -116.34240 5.18205 2.32761 -115.90942 752.33462
3340.0000 -121.91630 -117.38517 4.53112 2.24393 -117.04520 687.63431
3345.0000 -122.57555 -118.08913 4.48642 2.17424 -117.99097 651.14059
3350.0000 -122.59716 -118.82734 3.76982 2.12970 -118.59546 613.36702
3355.0000 -121.62543 -117.13149 4.49395 2.15741 -118.21939 631.78824
3360.0000 -121.46677 -115.81248 5.65429 2.26693 -116.73301 715.76845
3365.0000 -122.54453 -118.34790 4.19663 2.24288 -117.05947 707.37983
3370.0000 -121.97718 -117.75876 4.21842 2.18586 -117.83325 659.45350
3375.0000 -122.23241 -118.22507 4.00734 2.19703 -117.68165 662.30910
3380.0000 -121.56613 -118.34346 3.22267 2.15571 -118.24256 624.21156
3385.0000 -122.50719 -117.56736 4.93982 2.19165 -117.75471 655.78835
3390.0000 -122.26033 -117.71499 4.54534 2.18347 -117.86582 647.50494
3395.0000 -121.17244 -117.54600 3.62643 2.19532 -117.70487 682.62789
3400.0000 -122.70786 -119.04001 3.66786 2.15738 -118.21985 631.54562
3405.0000 -123.22662 -119.33797 3.88864 2.09617 -119.05061 620.31566
3410.0000 -121.50757 -117.98222 3.52535 2.10418 -118.94192 588.80229
3415.0000 -121.72575 -117.68506 4.04069 2.16236 -118.15227 636.50933
3420.0000 -121.12190 -116.33189 4.79002 2.25467 -116.89939 696.93976
3425.0000 -120.93167 -116.80930 4.12238 2.30734 -116.18455 722.36226
3430.0000 -121.41280 -116.72989 4.68291 2.25705 -116.86710 694.38659
3435.0000 -121.24440 -117.31817 3.92622 2.24193 -117.07226 697.38695
3440.0000 -122.08793 -118.22791 3.86002 2.17889 -117.92786 619.99589
3445.0000 -120.97143 -117.13234 3.83909 2.21060 -117.49749 654.55793
3450.0000 -122.52223 -118.56440 3.95783 2.23064 -117.22556 695.98546
3455.0000 -123.09516 -118.22827 4.86689 2.12513 -118.65751 608.36341
3460.0000 -122.20723 -117.59265 4.61458 2.18891 -117.79197 654.11150
3465.0000 -120.38938 -116.18182 4.20756 2.25083 -116.95153 708.12974
3470.0000 -121.22631 -116.77191 4.45440 2.26121 -116.81061 710.60735
3475.0000 -121.08937 -116.13330 4.95608 2.26352 -116.77929 673.39187
3480.0000 -120.22315 -115.98978 4.23336 2.31369 -116.09834 716.69566
3485.0000 -120.25637 -115.24847 5.00790 2.33156 -115.85586 733.28716
3490.0000 -121.17571 -116.68098 4.49473 2.27559 -116.61544 679.18919
3495.0000 -120.43075 -115.85471 4.57604 2.29127 -116.40264 741.11044
3500.0000 -120.70538 -115.50952 5.19586 2.33847 -115.76203 758.23242
FREEZING PROCESS: loop number 15 T-loop= 648.00000000000000
main_MD> interactions number 15 at Temperature= 648.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52051 -1.16344 1.28255
force_rgl> df(natom) 0.44483 1.40132 -0.78708
3505.0000 -122.35229 -117.88240 4.46989 2.27587 -116.61164 707.05599
3510.0000 -120.50169 -115.86425 4.63744 2.22217 -117.34045 681.71821
3515.0000 -120.93266 -116.14822 4.78443 2.27906 -116.56835 703.07269
3520.0000 -121.95291 -117.55447 4.39844 2.26281 -116.78894 709.84864
3525.0000 -122.57019 -119.20771 3.36248 2.15884 -118.20006 637.83051
3530.0000 -122.95419 -119.55608 3.39811 2.11823 -118.75125 600.23121
3535.0000 -122.97085 -119.31425 3.65660 2.06832 -119.42852 579.68569
3540.0000 -121.83537 -117.13311 4.70226 2.17290 -118.00927 666.96728
3545.0000 -122.32558 -118.19032 4.13527 2.18036 -117.90794 649.13577
3550.0000 -122.72408 -118.23861 4.48548 2.15054 -118.31265 597.85634
3555.0000 -122.00560 -118.08090 3.92470 2.19407 -117.72193 667.10152
3560.0000 -121.74347 -117.27716 4.46631 2.19463 -117.71434 661.90223
3565.0000 -122.38207 -118.58389 3.79818 2.15682 -118.22749 623.74240
3570.0000 -122.81236 -117.85002 4.96233 2.12212 -118.69838 575.85841
3575.0000 -121.86081 -117.74289 4.11792 2.20288 -117.60225 658.85885
3580.0000 -121.77520 -117.24820 4.52700 2.20503 -117.57307 650.16833
3585.0000 -121.81272 -117.11014 4.70259 2.24389 -117.04570 698.57417
3590.0000 -121.98147 -117.68706 4.29442 2.24699 -117.00363 709.65799
3595.0000 -121.25332 -116.82733 4.42598 2.15412 -118.26403 612.26561
3600.0000 -122.12635 -117.88421 4.24214 2.24330 -117.05374 683.93731
3605.0000 -122.80452 -119.37904 3.42548 2.16628 -118.09901 611.80847
3610.0000 -121.27207 -117.98606 3.28601 2.10926 -118.87299 578.76810
3615.0000 -122.91339 -118.15638 4.75701 2.14340 -118.40957 622.74836
3620.0000 -124.11909 -119.69583 4.42326 2.10859 -118.88196 642.08411
3625.0000 -122.91393 -119.48054 3.43339 2.06421 -119.48430 619.08381
3630.0000 -122.96515 -118.73255 4.23260 2.08560 -119.19408 632.49619
3635.0000 -122.81403 -118.49126 4.32278 2.11006 -118.86208 637.96880
3640.0000 -122.18197 -118.77594 3.40602 2.13968 -118.46009 613.06567
3645.0000 -121.61625 -118.10491 3.51135 2.12557 -118.65160 612.45637
3650.0000 -121.66708 -117.60038 4.06670 2.18113 -117.89751 646.83509
3655.0000 -122.55444 -118.15098 4.40346 2.20997 -117.50608 699.21203
3660.0000 -122.28843 -117.68581 4.60262 2.17307 -118.00688 663.24581
3665.0000 -121.94587 -117.61363 4.33225 2.18672 -117.82167 669.59842
3670.0000 -122.61151 -118.89242 3.71909 2.20611 -117.55846 642.55525
3675.0000 -122.14172 -118.17514 3.96657 2.16353 -118.13643 635.00121
3680.0000 -121.21259 -117.39102 3.82157 2.19602 -117.69544 670.02455
3685.0000 -122.03276 -118.20739 3.82536 2.19520 -117.70657 644.13521
3690.0000 -122.15360 -118.23648 3.91712 2.15286 -118.28120 638.52322
3695.0000 -124.02023 -120.74988 3.27035 2.02667 -119.99379 538.40569
3700.0000 -122.53563 -118.80110 3.73453 2.02800 -119.97577 531.66232
3705.0000 -122.36244 -117.32741 5.03503 2.13699 -118.49662 613.50673
3710.0000 -121.84868 -117.07826 4.77042 2.24118 -117.08248 697.03786
3715.0000 -121.27869 -116.97573 4.30296 2.25037 -116.95781 711.50967
3720.0000 -120.45999 -115.55904 4.90095 2.28588 -116.47589 713.18871
3725.0000 -119.84060 -115.19822 4.64238 2.33669 -115.78630 724.34402
3730.0000 -121.36967 -116.98056 4.38911 2.29320 -116.37645 700.59020
3735.0000 -121.98597 -117.10750 4.87848 2.26428 -116.76903 705.72859
3740.0000 -122.17458 -117.50825 4.66633 2.21050 -117.49886 651.84794
3745.0000 -122.41047 -118.52863 3.88183 2.14223 -118.42546 594.13807
3750.0000 -121.31944 -118.05594 3.26350 2.09581 -119.05546 584.25009
FREEZING PROCESS: loop number 16 T-loop= 623.00000000000000
main_MD> interactions number 16 at Temperature= 623.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.98483 1.94023 -7.11363
force_rgl> df(natom) -0.41412 0.07937 -0.60643
3755.0000 -121.60320 -117.68318 3.92001 2.21687 -117.41244 682.15530
3760.0000 -122.07144 -118.27205 3.79939 2.15049 -118.31330 598.89295
3765.0000 -121.87216 -118.14001 3.73215 2.17784 -117.94222 623.05984
3770.0000 -122.14410 -118.51207 3.63203 2.15120 -118.30377 603.54129
3775.0000 -123.50796 -119.28149 4.22646 2.12679 -118.63506 611.83875
3780.0000 -122.94970 -118.82386 4.12584 2.11425 -118.80515 587.92834
3785.0000 -122.67519 -118.76599 3.90920 2.12042 -118.72154 608.44214
3790.0000 -122.84873 -119.87835 2.97038 2.08245 -119.23681 584.96331
3795.0000 -122.49903 -118.52722 3.97180 2.10178 -118.97449 598.62474
3800.0000 -122.18307 -118.52726 3.65581 2.15261 -118.28459 609.16547
3805.0000 -122.79338 -119.25846 3.53491 2.15370 -118.26983 625.97703
3810.0000 -122.11711 -118.13391 3.98319 2.09091 -119.12196 591.16018
3815.0000 -123.07233 -119.53196 3.54038 2.09006 -119.13355 552.17685
3820.0000 -122.73052 -119.01092 3.71960 2.09587 -119.05472 583.54764
3825.0000 -121.89793 -117.10925 4.78869 2.20249 -117.60762 671.99285
3830.0000 -122.42923 -118.81353 3.61569 2.17751 -117.94666 634.54567
3835.0000 -121.98835 -118.26541 3.72294 2.14674 -118.36421 607.20797
3840.0000 -122.51846 -118.24472 4.27374 2.12514 -118.65745 611.77458
3845.0000 -121.89467 -117.25488 4.63979 2.20511 -117.57207 656.83064
3850.0000 -122.27673 -118.29195 3.98477 2.14281 -118.41761 615.09267
3855.0000 -121.70420 -118.30372 3.40048 2.12935 -118.60032 606.52484
3860.0000 -123.35672 -119.43775 3.91897 2.06811 -119.43141 569.57003
3865.0000 -121.85732 -118.60639 3.25093 2.08717 -119.17276 550.01841
3870.0000 -122.23382 -118.93027 3.30355 2.09970 -119.00274 564.06292
3875.0000 -122.55226 -119.20285 3.34942 2.08624 -119.18532 561.32822
3880.0000 -121.92734 -118.70449 3.22285 2.12620 -118.64303 592.12601
3885.0000 -123.10545 -119.03975 4.06569 2.14212 -118.42694 615.69792
3890.0000 -123.12592 -119.23895 3.88697 2.05290 -119.63792 553.27971
3895.0000 -122.32588 -118.60201 3.72387 2.12861 -118.61031 608.81295
3900.0000 -122.70200 -118.62642 4.07558 2.11385 -118.81068 594.22281
3905.0000 -121.68985 -117.61523 4.07462 2.17186 -118.02339 629.08704
3910.0000 -121.31191 -117.12267 4.18924 2.19470 -117.71337 641.00464
3915.0000 -122.26917 -118.98771 3.28147 2.17881 -117.92902 642.75826
3920.0000 -121.46966 -117.87296 3.59671 2.14707 -118.35979 622.51150
3925.0000 -121.95306 -118.10658 3.84648 2.14195 -118.42926 604.18597
3930.0000 -122.79592 -118.02008 4.77584 2.16985 -118.05055 638.19015
3935.0000 -121.54030 -117.71836 3.82194 2.18906 -117.78995 654.20927
3940.0000 -123.11932 -119.02159 4.09774 2.15432 -118.26135 632.12534
3945.0000 -122.54577 -118.54815 3.99763 2.09915 -119.01010 602.70386
3950.0000 -121.84708 -117.82248 4.02461 2.15319 -118.27675 618.76985
3955.0000 -121.54505 -117.35712 4.18794 2.19429 -117.71896 674.06444
3960.0000 -122.60360 -118.65134 3.95226 2.15279 -118.28210 596.05608
3965.0000 -122.15089 -117.21739 4.93350 2.22162 -117.34799 654.70190
3970.0000 -121.58652 -117.48268 4.10384 2.20689 -117.54793 652.27608
3975.0000 -122.51429 -118.35334 4.16095 2.17919 -117.92390 623.84423
3980.0000 -122.38315 -117.77716 4.60599 2.13036 -118.58663 593.49735
3985.0000 -122.87604 -118.26147 4.61457 2.15039 -118.31466 635.25961
3990.0000 -123.14925 -118.85081 4.29843 2.14630 -118.37026 627.94286
3995.0000 -122.24762 -118.36268 3.88494 2.13713 -118.49469 576.54182
4000.0000 -121.88534 -118.42807 3.45727 2.13792 -118.48391 606.48970
FREEZING PROCESS: loop number 17 T-loop= 598.00000000000000
main_MD> interactions number 17 at Temperature= 598.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75367 1.03466 -0.54070
force_rgl> df(natom) 0.64325 -2.05804 1.83798
4005.0000 -122.79765 -119.10911 3.68854 2.11648 -118.77497 595.65805
4010.0000 -122.42714 -118.22773 4.19941 2.14552 -118.38081 630.04675
4015.0000 -122.95646 -118.85639 4.10007 2.15440 -118.26024 607.74730
4020.0000 -122.04415 -118.43815 3.60601 2.10078 -118.98798 544.81244
4025.0000 -122.47266 -118.30923 4.16343 2.19149 -117.75686 636.42739
4030.0000 -121.18377 -117.79155 3.39222 2.16664 -118.09419 626.16523
4035.0000 -122.48792 -118.45144 4.03648 2.14525 -118.38446 632.90918
4040.0000 -122.62272 -119.09371 3.52901 2.11729 -118.76389 584.59547
4045.0000 -123.14660 -118.89437 4.25223 2.13568 -118.51432 598.86830
4050.0000 -122.42789 -118.73261 3.69528 2.10515 -118.92874 593.94579
4055.0000 -122.59951 -118.45458 4.14493 2.15151 -118.29955 623.09038
4060.0000 -121.69638 -118.32308 3.37331 2.11016 -118.86067 599.06140
4065.0000 -122.34055 -118.52150 3.81906 2.15549 -118.24547 633.12303
4070.0000 -123.54987 -120.07107 3.47879 2.06291 -119.50204 548.54769
4075.0000 -122.39030 -118.63710 3.75320 2.04215 -119.78370 555.24654
4080.0000 -122.73203 -118.92767 3.80437 2.10720 -118.90093 605.58630
4085.0000 -122.94449 -119.59168 3.35281 2.09580 -119.05556 584.73931
4090.0000 -123.41455 -119.42117 3.99337 2.06551 -119.46668 563.30453
4095.0000 -123.35431 -119.42894 3.92537 2.05402 -119.62261 555.38454
4100.0000 -122.97701 -118.97104 4.00597 2.12507 -118.65834 624.55145
4105.0000 -122.86402 -118.98416 3.87985 2.11774 -118.75786 601.63595
4110.0000 -121.89134 -118.25048 3.64085 2.15176 -118.29614 639.80865
4115.0000 -122.19591 -118.32149 3.87442 2.13318 -118.54826 634.65331
4120.0000 -122.35126 -118.16828 4.18297 2.15168 -118.29715 614.92635
4125.0000 -123.48834 -119.70702 3.78133 2.13762 -118.48808 614.10938
4130.0000 -123.75039 -120.26396 3.48643 2.02976 -119.95186 554.28965
4135.0000 -122.77803 -118.84401 3.93402 2.04648 -119.72502 566.10218
4140.0000 -122.48351 -119.06964 3.41387 2.10056 -118.99101 565.31755
4145.0000 -122.66371 -118.56936 4.09435 2.16479 -118.11922 659.59931
4150.0000 -123.15630 -120.21312 2.94318 2.08953 -119.14070 589.88088
4155.0000 -122.06031 -119.09826 2.96205 2.06653 -119.45281 587.29687
4160.0000 -122.92127 -118.33427 4.58700 2.13376 -118.54044 583.63043
4165.0000 -123.05298 -119.69698 3.35600 2.11891 -118.74197 586.16384
4170.0000 -122.53325 -118.37307 4.16019 2.07473 -119.34154 563.11781
4175.0000 -122.09889 -118.15222 3.94666 2.15823 -118.20833 645.39679
4180.0000 -123.01991 -118.39461 4.62530 2.16008 -118.18320 641.10731
4185.0000 -122.29576 -117.72241 4.57335 2.18543 -117.83916 644.48112
4190.0000 -121.71187 -118.00446 3.70740 2.19440 -117.71746 651.17628
4195.0000 -122.48096 -118.37940 4.10156 2.15651 -118.23172 598.41432
4200.0000 -121.18181 -117.86223 3.31958 2.18748 -117.81131 640.54338
4205.0000 -122.70066 -119.45898 3.24168 2.15095 -118.30711 617.25542
4210.0000 -122.64586 -119.08799 3.55788 2.12384 -118.67511 609.43060
4215.0000 -121.92440 -118.07174 3.85266 2.13092 -118.57890 614.33891
4220.0000 -121.58044 -117.33728 4.24316 2.19306 -117.73557 656.76768
4225.0000 -122.74362 -118.79445 3.94917 2.18683 -117.82021 648.06483
4230.0000 -122.64744 -118.40309 4.24435 2.10898 -118.87667 568.43365
4235.0000 -123.16735 -118.98910 4.17825 2.08934 -119.14332 550.93649
4240.0000 -121.82486 -117.11813 4.70673 2.11692 -118.76892 593.94556
4245.0000 -121.83348 -117.12028 4.71320 2.25971 -116.83096 705.30109
4250.0000 -121.73900 -118.08238 3.65662 2.21921 -117.38065 665.66530
FREEZING PROCESS: loop number 18 T-loop= 573.00000000000000
main_MD> interactions number 18 at Temperature= 573.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88766 1.85220 -0.18222
force_rgl> df(natom) -1.76663 -1.16487 -0.76741
4255.0000 -122.18020 -118.28961 3.89059 2.18566 -117.83610 616.08659
4260.0000 -122.96565 -118.53181 4.43384 2.12978 -118.59439 593.63032
4265.0000 -122.87409 -118.92197 3.95212 2.11685 -118.76996 603.91489
4270.0000 -123.31409 -119.70767 3.60642 2.04081 -119.80188 542.47894
4275.0000 -122.60349 -119.54626 3.05723 2.05274 -119.64001 563.58256
4280.0000 -122.45611 -119.06554 3.39057 2.05813 -119.56685 537.47825
4285.0000 -123.61809 -120.38064 3.23744 2.01772 -120.11536 520.62019
4290.0000 -122.89414 -118.90650 3.98764 2.08262 -119.23457 542.33127
4295.0000 -123.24444 -120.24438 3.00005 2.05760 -119.57403 559.84213
4300.0000 -123.68528 -119.67488 4.01040 2.05251 -119.64311 550.82014
4305.0000 -123.57669 -120.07155 3.50515 2.05886 -119.55704 540.67315
4310.0000 -122.61330 -118.86585 3.74745 2.05867 -119.55956 539.49821
4315.0000 -122.58374 -118.76712 3.81662 2.13671 -118.50044 599.72221
4320.0000 -122.61952 -118.36531 4.25422 2.09776 -119.02904 576.28277
4325.0000 -123.12072 -119.81848 3.30224 2.05751 -119.57527 567.59667
4330.0000 -123.31188 -119.98552 3.32637 2.06113 -119.52613 570.11833
4335.0000 -122.16471 -118.65891 3.50581 2.08621 -119.18581 581.20272
4340.0000 -122.89757 -118.87321 4.02436 2.10948 -118.87001 573.52146
4345.0000 -123.31831 -119.51660 3.80171 2.07212 -119.37696 584.65884
4350.0000 -123.38485 -119.37817 4.00668 2.05414 -119.62103 574.73673
4355.0000 -123.51197 -120.23184 3.28012 2.02526 -120.01298 556.69230
4360.0000 -123.03292 -120.01218 3.02075 1.99905 -120.36877 508.89768
4365.0000 -123.18123 -119.43242 3.74881 2.03553 -119.87359 540.84768
4370.0000 -123.59429 -120.10681 3.48748 2.05008 -119.67620 553.23401
4375.0000 -123.02519 -119.01089 4.01430 2.03801 -119.83992 527.97845
4380.0000 -123.02750 -119.42664 3.60086 2.09022 -119.13133 574.07623
4385.0000 -122.86115 -119.26219 3.59895 2.06312 -119.49913 552.42575
4390.0000 -122.60034 -118.14909 4.45125 2.13110 -118.57655 609.07821
4395.0000 -121.57675 -118.50817 3.06858 2.13457 -118.52940 611.00949
4400.0000 -122.21724 -118.56255 3.65469 2.14424 -118.39821 589.34769
4405.0000 -122.62436 -119.17308 3.45128 2.11093 -118.85029 580.06585
4410.0000 -122.44852 -119.28016 3.16836 2.06147 -119.52158 549.61559
4415.0000 -122.80105 -119.69522 3.10583 2.07959 -119.27567 554.07490
4420.0000 -123.42088 -119.69695 3.72393 2.03784 -119.84226 494.66384
4425.0000 -124.06658 -120.56330 3.50328 2.04643 -119.72566 544.64755
4430.0000 -123.65460 -120.55194 3.10266 2.00074 -120.34577 494.12798
4435.0000 -123.59589 -119.80678 3.78911 2.02668 -119.99372 526.92622
4440.0000 -122.71152 -119.32542 3.38611 2.07999 -119.27019 548.00659
4445.0000 -123.39147 -119.76098 3.63049 2.06482 -119.47613 543.00928
4450.0000 -122.18198 -119.18991 2.99207 2.09715 -119.03735 565.98863
4455.0000 -121.55594 -118.14322 3.41271 2.12901 -118.60490 579.17006
4460.0000 -123.38492 -118.74319 4.64174 2.13569 -118.51424 595.04012
4465.0000 -122.54144 -119.18849 3.35295 2.11109 -118.84812 586.23815
4470.0000 -123.17377 -118.86910 4.30468 2.06898 -119.41960 549.55596
4475.0000 -122.51243 -118.92921 3.58322 2.11588 -118.78312 584.15521
4480.0000 -122.82278 -119.79948 3.02329 2.09621 -119.05012 557.61446
4485.0000 -122.39549 -117.76975 4.62574 2.08863 -119.15292 575.65054
4490.0000 -122.97637 -118.59012 4.38625 2.16399 -118.13008 645.78548
4495.0000 -122.30805 -118.44179 3.86626 2.12734 -118.62751 590.46899
4500.0000 -121.28865 -117.41108 3.87757 2.15660 -118.23038 613.61457
FREEZING PROCESS: loop number 19 T-loop= 548.00000000000000
main_MD> interactions number 19 at Temperature= 548.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50988 -4.02307 0.21422
force_rgl> df(natom) 0.75745 -3.66232 -6.78251
4505.0000 -122.79570 -118.77044 4.02525 2.15516 -118.24994 609.83558
4510.0000 -122.80081 -119.66757 3.13323 2.08448 -119.20929 554.97315
4515.0000 -123.86251 -120.75577 3.10674 2.01355 -120.17191 499.31541
4520.0000 -122.89335 -120.25021 2.64313 1.95376 -120.98336 462.27412
4525.0000 -123.51147 -120.15871 3.35276 2.03223 -119.91837 522.03236
4530.0000 -123.45607 -120.76992 2.68615 2.03692 -119.85474 526.44883
4535.0000 -124.31579 -121.37528 2.94051 1.96493 -120.83179 485.70051
4540.0000 -123.33038 -119.71306 3.61733 1.97431 -120.70451 519.77903
4545.0000 -124.20568 -120.76589 3.43978 1.99765 -120.38774 524.43712
4550.0000 -124.12213 -120.43711 3.68502 1.98979 -120.49443 531.77984
4555.0000 -124.30272 -120.64574 3.65698 2.00902 -120.23344 540.35210
4560.0000 -123.80229 -120.43184 3.37045 1.98367 -120.57747 527.03246
4565.0000 -124.73048 -121.17807 3.55241 1.95351 -120.98685 511.20794
4570.0000 -124.55503 -120.80581 3.74922 1.95193 -121.00825 527.50055
4575.0000 -123.60590 -120.51632 3.08958 1.92392 -121.38841 499.44533
4580.0000 -124.27895 -120.06536 4.21359 2.02108 -120.06971 566.07164
4585.0000 -123.32254 -120.38355 2.93898 2.00743 -120.25496 566.92286
4590.0000 -124.03043 -120.95979 3.07064 1.96435 -120.83964 522.51642
4595.0000 -124.00869 -120.68901 3.31969 2.01288 -120.18099 548.49985
4600.0000 -123.59162 -120.80955 2.78206 1.94540 -121.09680 475.77328
4605.0000 -123.52857 -119.72091 3.80766 2.01010 -120.21876 534.47601
4610.0000 -123.71797 -120.04413 3.67384 2.03551 -119.87388 537.40059
4615.0000 -122.89021 -119.51845 3.37176 2.02173 -120.06086 531.94594
4620.0000 -123.24844 -120.18299 3.06545 2.05794 -119.56950 565.77891
4625.0000 -123.12421 -118.96172 4.16249 2.05735 -119.57752 560.26835
4630.0000 -123.60065 -120.29648 3.30418 2.05363 -119.62792 549.95367
4635.0000 -123.67589 -120.58827 3.08762 1.99990 -120.35715 508.02780
4640.0000 -124.10091 -120.80829 3.29262 1.97659 -120.67355 495.19853
4645.0000 -123.87396 -120.82763 3.04633 1.96773 -120.79386 484.91591
4650.0000 -124.11348 -120.63061 3.48287 1.95689 -120.94098 495.19975
4655.0000 -124.48027 -121.10641 3.37386 1.95386 -120.98201 498.61996
4660.0000 -124.20743 -121.35944 2.84800 1.94051 -121.16329 482.18294
4665.0000 -124.53437 -121.01425 3.52011 1.92029 -121.43771 477.68348
4670.0000 -124.96995 -121.49774 3.47220 1.94703 -121.07469 505.75144
4675.0000 -124.60355 -121.38439 3.21915 1.92233 -121.40993 499.92114
4680.0000 -124.52572 -121.41924 3.10648 1.92791 -121.33417 484.76038
4685.0000 -124.13206 -120.07577 4.05629 1.97428 -120.70489 531.29809
4690.0000 -124.64153 -121.00707 3.63446 2.00382 -120.30401 546.20743
4695.0000 -124.66096 -120.90983 3.75113 1.96819 -120.78750 523.25821
4700.0000 -123.93372 -119.84338 4.09034 1.96052 -120.89164 512.93763
4705.0000 -124.14087 -120.24883 3.89204 2.04414 -119.75674 587.28447
4710.0000 -123.70173 -120.72574 2.97599 1.98821 -120.51583 537.59732
4715.0000 -123.91704 -121.04745 2.86959 1.96204 -120.87095 494.60648
4720.0000 -123.71464 -120.24220 3.47244 1.97429 -120.70482 489.72467
4725.0000 -123.36557 -119.70974 3.65583 2.04106 -119.79857 553.13623
4730.0000 -123.41191 -119.61228 3.79962 2.06020 -119.53883 569.94436
4735.0000 -123.95990 -120.29948 3.66043 2.03785 -119.84207 545.99841
4740.0000 -123.04891 -119.39333 3.65558 2.02271 -120.04763 564.43748
4745.0000 -123.37808 -120.04755 3.33053 2.04354 -119.76492 551.52061
4750.0000 -123.72983 -120.13039 3.59944 2.03333 -119.90348 535.62865
FREEZING PROCESS: loop number 20 T-loop= 523.00000000000000
main_MD> interactions number 20 at Temperature= 523.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63515 -1.08782 1.56008
force_rgl> df(natom) -1.03334 0.32210 0.46746
4755.0000 -123.49732 -120.30692 3.19040 2.00973 -120.22375 501.40876
4760.0000 -124.59718 -120.80598 3.79120 1.99321 -120.44801 495.19230
4765.0000 -123.49843 -120.10353 3.39490 1.99090 -120.47936 488.37750
4770.0000 -123.41630 -119.92177 3.49453 2.05056 -119.66962 521.98649
4775.0000 -122.88320 -119.62905 3.25415 2.06899 -119.41955 558.85692
4780.0000 -123.49881 -120.57473 2.92409 2.00687 -120.26260 515.16185
4785.0000 -123.74625 -120.35353 3.39272 1.98248 -120.59367 496.68312
4790.0000 -123.56158 -119.74195 3.81963 2.03372 -119.89822 550.49438
4795.0000 -124.32922 -121.19310 3.13612 1.96442 -120.83875 501.99087
4800.0000 -123.43740 -120.01225 3.42515 1.98189 -120.60165 514.06639
4805.0000 -123.31258 -120.15857 3.15401 2.04538 -119.73997 554.10505
4810.0000 -123.69135 -119.91243 3.77893 2.03715 -119.85159 564.03968
4815.0000 -123.70194 -121.11086 2.59108 2.00356 -120.30747 541.25862
4820.0000 -123.91693 -120.72068 3.19625 1.98114 -120.61186 505.43202
4825.0000 -122.17116 -118.99198 3.17918 1.99360 -120.44271 512.96881
4830.0000 -123.14950 -119.38915 3.76035 2.06664 -119.45134 571.47319
4835.0000 -123.30677 -119.90502 3.40175 2.08281 -119.23189 594.53216
4840.0000 -122.62495 -119.33118 3.29377 2.03130 -119.93096 548.89286
4845.0000 -123.01231 -119.39724 3.61508 2.06977 -119.40884 592.08627
4850.0000 -124.03185 -121.14377 2.88809 1.99071 -120.48187 511.34070
4855.0000 -124.25535 -120.91789 3.33746 1.95199 -121.00748 475.01116
4860.0000 -122.70265 -119.51003 3.19262 2.00729 -120.25694 512.67959
4865.0000 -123.87968 -120.95631 2.92337 1.99240 -120.45898 500.11370
4870.0000 -123.83218 -120.54443 3.28775 1.96410 -120.84312 487.91145
4875.0000 -124.20389 -120.70820 3.49569 1.95934 -120.90771 504.63146
4880.0000 -124.10360 -120.08310 4.02050 2.01131 -120.20238 526.83848
4885.0000 -124.60044 -120.37389 4.22655 1.99583 -120.41236 507.13989
4890.0000 -124.40504 -121.13163 3.27340 1.97079 -120.75222 505.97619
4895.0000 -123.96199 -121.07646 2.88553 1.90427 -121.65504 428.42296
4900.0000 -123.75244 -120.74254 3.00991 1.97089 -120.75096 479.99088
4905.0000 -122.90035 -119.66979 3.23057 1.96700 -120.80365 471.43279
4910.0000 -123.46701 -120.51760 2.94941 2.02631 -119.99878 503.56259
4915.0000 -123.27429 -120.09324 3.18104 2.01346 -120.17310 507.85262
4920.0000 -124.36385 -121.40694 2.95691 1.99015 -120.48957 499.21502
4925.0000 -123.18491 -119.50850 3.67640 1.97280 -120.72505 480.10185
4930.0000 -123.75639 -119.89890 3.85749 2.05896 -119.55560 558.88802
4935.0000 -123.90953 -120.53731 3.37223 2.01445 -120.15969 514.02551
4940.0000 -123.55382 -120.98657 2.56725 1.96257 -120.86381 492.00001
4945.0000 -124.26651 -120.89421 3.37229 1.94302 -121.12916 470.72342
4950.0000 -123.33194 -119.64058 3.69135 2.01695 -120.12581 544.73635
4955.0000 -123.20480 -119.44141 3.76339 2.06428 -119.48346 585.29853
4960.0000 -123.84906 -120.39403 3.45504 2.00424 -120.29824 534.69631
4965.0000 -124.03952 -120.42656 3.61295 2.00117 -120.33994 512.78302
4970.0000 -123.80822 -120.58626 3.22196 2.00269 -120.31930 518.37764
4975.0000 -123.82841 -120.73003 3.09838 1.97579 -120.68444 493.53175
4980.0000 -123.98592 -119.97835 4.00757 2.00364 -120.30643 524.59041
4985.0000 -124.00254 -121.02539 2.97715 1.98938 -120.50001 514.38348
4990.0000 -124.47160 -120.83810 3.63350 1.97245 -120.72973 512.19758
4995.0000 -123.73244 -119.98127 3.75117 2.00304 -120.31452 538.54983
5000.0000 -122.96616 -119.56631 3.39986 2.05036 -119.67234 547.55087
FREEZING PROCESS: loop number 21 T-loop= 498.00000000000000
main_MD> interactions number 21 at Temperature= 498.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38398 0.35664 -0.79682
force_rgl> df(natom) -0.60662 3.45570 1.28050
5005.0000 -123.76525 -120.47273 3.29252 1.99528 -120.41989 503.41502
5010.0000 -123.89003 -120.27063 3.61940 1.98599 -120.54602 514.12253
5015.0000 -123.55149 -120.64034 2.91115 1.98226 -120.59658 501.55885
5020.0000 -124.24427 -121.47205 2.77221 1.94562 -121.09384 450.33267
5025.0000 -124.45364 -121.72964 2.72400 1.90596 -121.63217 413.53377
5030.0000 -125.20534 -122.18079 3.02455 1.89738 -121.74866 449.73166
5035.0000 -124.67004 -121.04380 3.62625 1.89425 -121.79102 475.57668
5040.0000 -124.35155 -121.36985 2.98169 1.95172 -121.01106 499.69598
5045.0000 -124.44166 -121.08113 3.36053 1.92848 -121.32651 460.65780
5050.0000 -123.31510 -120.57938 2.73572 1.98263 -120.59162 498.47487
5055.0000 -123.39926 -120.06444 3.33482 2.02359 -120.03563 524.59318
5060.0000 -123.61970 -121.18717 2.43253 2.01116 -120.20442 499.02103
5065.0000 -124.04715 -121.03681 3.01034 1.94667 -121.07961 451.23184
5070.0000 -123.78368 -120.70988 3.07379 1.96325 -120.85462 466.50607
5075.0000 -123.58063 -119.67648 3.90414 1.99045 -120.48544 491.18863
5080.0000 -124.36879 -121.30648 3.06231 2.00626 -120.27089 509.79919
5085.0000 -124.80885 -121.52834 3.28051 1.94216 -121.14082 463.34824
5090.0000 -123.72972 -120.65232 3.07739 1.93900 -121.18375 454.80546
5095.0000 -124.36546 -121.33061 3.03485 1.94554 -121.09494 452.50642
5100.0000 -123.85669 -121.01715 2.83953 1.93077 -121.29539 432.31200
5105.0000 -123.73481 -120.81016 2.92465 1.96234 -120.86690 471.02799
5110.0000 -123.38915 -119.90391 3.48524 1.98961 -120.49686 495.04360
5115.0000 -124.41073 -121.06689 3.34384 1.96321 -120.85517 480.37725
5120.0000 -124.50501 -121.28696 3.21806 1.95457 -120.97243 467.91511
5125.0000 -125.02910 -121.93411 3.09499 1.90274 -121.67582 456.54258
5130.0000 -124.13040 -121.04148 3.08893 1.92889 -121.32088 480.51878
5135.0000 -123.40362 -120.43101 2.97261 2.00177 -120.33182 541.63721
5140.0000 -123.95428 -121.05702 2.89726 1.97491 -120.69641 487.07842
5145.0000 -124.65184 -121.26007 3.39177 1.96843 -120.78431 498.55298
5150.0000 -124.82688 -121.72781 3.09907 1.91719 -121.47974 474.39661
5155.0000 -124.62319 -121.30228 3.32092 1.92660 -121.35200 463.04346
5160.0000 -124.31783 -121.30908 3.00876 1.91416 -121.52080 451.65840
5165.0000 -124.41950 -121.56077 2.85873 1.90899 -121.59108 452.61874
5170.0000 -124.32238 -121.31791 3.00447 1.91698 -121.48251 463.82484
5175.0000 -123.13068 -120.26880 2.86188 1.96913 -120.77482 504.13321
5180.0000 -122.60567 -118.93498 3.67069 2.04750 -119.71120 551.22698
5185.0000 -124.33240 -120.63148 3.70092 2.00791 -120.24844 516.41378
5190.0000 -123.31226 -120.27526 3.03700 1.97306 -120.72139 501.60541
5195.0000 -123.10540 -119.89502 3.21038 2.01177 -120.19608 528.30543
5200.0000 -123.53998 -119.10116 4.43882 2.05297 -119.63694 564.24189
5205.0000 -123.24692 -120.30724 2.93968 2.07490 -119.33923 564.57093
5210.0000 -123.81167 -120.26572 3.54595 2.01575 -120.14203 521.41424
5215.0000 -123.18118 -120.29551 2.88567 2.02459 -120.02213 518.50453
5220.0000 -124.48102 -121.26111 3.21992 1.96810 -120.78878 492.62927
5225.0000 -124.00308 -121.27939 2.72369 1.94900 -121.04806 477.36522
5230.0000 -124.28302 -121.07878 3.20424 1.94300 -121.12937 467.39856
5235.0000 -123.61857 -120.17857 3.44000 1.97664 -120.67287 494.37070
5240.0000 -123.93873 -120.16670 3.77203 2.02694 -119.99025 530.87068
5245.0000 -123.31582 -119.77801 3.53781 2.04625 -119.72806 539.84136
5250.0000 -122.46619 -119.76877 2.69742 2.03487 -119.88255 530.62467
FREEZING PROCESS: loop number 22 T-loop= 473.00000000000000
main_MD> interactions number 22 at Temperature= 473.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54464 1.59900 -4.34361
force_rgl> df(natom) -3.06737 -0.71296 -0.34736
5255.0000 -123.46763 -119.81329 3.65434 2.01945 -120.09186 503.60289
5260.0000 -124.09590 -121.43420 2.66170 1.95478 -120.96958 478.28530
5265.0000 -123.99631 -120.89369 3.10262 1.94806 -121.06077 476.88632
5270.0000 -123.74832 -120.42101 3.32731 1.98101 -120.61358 500.77944
5275.0000 -124.01115 -120.03615 3.97500 2.01333 -120.17493 530.20870
5280.0000 -124.36213 -121.03073 3.33140 2.00586 -120.27627 516.69358
5285.0000 -123.94336 -120.86788 3.07548 1.95286 -120.99563 477.13678
5290.0000 -123.69204 -119.92585 3.76618 1.99475 -120.42703 510.46915
5295.0000 -121.98981 -118.66973 3.32007 2.06443 -119.48143 549.09776
5300.0000 -123.68129 -120.14869 3.53260 2.04823 -119.70120 553.71330
5305.0000 -123.79027 -121.12775 2.66252 2.00550 -120.28119 521.20763
5310.0000 -124.70263 -121.51476 3.18787 1.95161 -121.01260 507.79875
5315.0000 -124.69954 -121.54421 3.15533 1.91005 -121.57667 453.22842
5320.0000 -124.05138 -121.23609 2.81529 1.95274 -120.99728 487.80908
5325.0000 -123.89162 -120.52071 3.37091 1.97059 -120.75500 503.07861
5330.0000 -123.18414 -119.99527 3.18887 2.01154 -120.19914 555.46310
5335.0000 -123.38412 -120.58464 2.79947 2.00361 -120.30689 519.97117
5340.0000 -123.76836 -120.64598 3.12237 1.95556 -120.95898 484.79232
5345.0000 -123.28746 -120.14199 3.14547 2.01991 -120.08560 538.87889
5350.0000 -123.96841 -121.76019 2.20823 1.95874 -120.91581 472.88045
5355.0000 -124.35641 -121.14542 3.21099 1.91363 -121.52800 415.90255
5360.0000 -124.26745 -121.14931 3.11814 1.97238 -120.73065 520.57007
5365.0000 -123.51843 -120.08801 3.43042 1.92496 -121.37424 471.43095
5370.0000 -122.65235 -119.60977 3.04257 2.07028 -119.40201 588.48207
5375.0000 -122.66584 -119.54909 3.11675 2.05175 -119.65353 540.73325
5380.0000 -122.84068 -119.36974 3.47094 2.05332 -119.63214 536.61243
5385.0000 -123.44457 -120.90174 2.54282 2.01830 -120.10744 518.65923
5390.0000 -123.41072 -120.97254 2.43818 1.95612 -120.95130 468.19107
5395.0000 -124.08644 -121.02120 3.06523 1.94906 -121.04717 453.32726
5400.0000 -123.84209 -120.98741 2.85468 1.92670 -121.35064 431.04386
5405.0000 -123.64487 -121.00881 2.63606 1.96111 -120.88368 487.59452
5410.0000 -124.65842 -121.10498 3.55344 1.96624 -120.81403 509.40723
5415.0000 -123.76163 -120.43169 3.32994 2.00465 -120.29271 523.27915
5420.0000 -123.41811 -120.84114 2.57697 1.98878 -120.50815 490.71500
5425.0000 -124.15240 -121.24384 2.90856 1.96302 -120.85777 465.57502
5430.0000 -123.62252 -120.99435 2.62817 1.91408 -121.52194 426.21116
5435.0000 -124.66784 -121.35095 3.31689 1.94117 -121.15431 494.92202
5440.0000 -124.05048 -121.07734 2.97315 1.93052 -121.29880 470.45704
5445.0000 -124.56946 -121.15469 3.41477 1.96546 -120.82458 511.28796
5450.0000 -125.14718 -121.65675 3.49043 1.91961 -121.44692 496.90837
5455.0000 -124.29848 -121.05077 3.24770 1.92414 -121.38539 496.80814
5460.0000 -124.48336 -121.13402 3.34934 1.91677 -121.48543 470.34181
5465.0000 -125.11464 -121.15217 3.96247 1.92463 -121.37872 490.99153
5470.0000 -125.08030 -122.13918 2.94112 1.90061 -121.70473 477.63488
5475.0000 -124.81019 -122.03552 2.77468 1.85662 -122.30174 442.11745
5480.0000 -125.53903 -122.06417 3.47486 1.88165 -121.96205 475.27854
5485.0000 -124.85647 -121.76728 3.08919 1.86864 -122.13863 450.25703
5490.0000 -124.52871 -121.42585 3.10286 1.91864 -121.46001 498.42372
5495.0000 -124.39827 -121.08240 3.31588 1.93628 -121.22057 501.42131
5500.0000 -124.61262 -121.46258 3.15004 1.94860 -121.05339 520.57072
FREEZING PROCESS: loop number 23 T-loop= 448.00000000000000
main_MD> interactions number 23 at Temperature= 448.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05630 1.55610 -0.53389
force_rgl> df(natom) -1.49088 0.39313 -0.45665
5505.0000 -124.95991 -122.42491 2.53500 1.87921 -121.99521 468.15783
5510.0000 -124.74298 -121.34492 3.39805 1.86556 -122.18045 443.65494
5515.0000 -124.34987 -121.17980 3.17007 1.94059 -121.16211 504.94355
5520.0000 -124.92618 -121.70702 3.21916 1.90162 -121.69098 478.27767
5525.0000 -124.90019 -122.12989 2.77030 1.89716 -121.75152 470.90726
5530.0000 -124.97725 -122.33330 2.64395 1.84459 -122.46506 418.75860
5535.0000 -124.77840 -122.09453 2.68387 1.85185 -122.36657 439.27457
5540.0000 -125.31153 -122.32420 2.98733 1.84154 -122.50645 424.72967
5545.0000 -124.90637 -121.97274 2.93363 1.85629 -122.30628 448.34444
5550.0000 -125.32853 -122.28265 3.04589 1.83878 -122.54397 424.31737
5555.0000 -124.62572 -121.97670 2.64902 1.84248 -122.49376 431.70147
5560.0000 -124.74100 -122.05191 2.68909 1.87942 -121.99233 449.02545
5565.0000 -124.46616 -121.59923 2.86693 1.90831 -121.60025 473.43121
5570.0000 -124.65920 -121.14915 3.51004 1.90110 -121.69809 453.45837
5575.0000 -125.03073 -121.75300 3.27773 1.94463 -121.10731 501.44327
5580.0000 -125.30629 -122.07363 3.23266 1.88295 -121.94443 457.43638
5585.0000 -125.05828 -122.15523 2.90306 1.86871 -122.13776 439.44375
5590.0000 -125.94932 -123.47050 2.47882 1.82706 -122.70299 407.79503
5595.0000 -124.66468 -121.45430 3.21039 1.84233 -122.49567 430.29983
5600.0000 -125.09868 -122.23310 2.86559 1.89353 -121.80078 460.79606
5605.0000 -124.78414 -122.03129 2.75284 1.87760 -122.01710 453.49045
5610.0000 -124.61841 -122.18176 2.43666 1.87061 -122.11187 448.31452
5615.0000 -125.41668 -122.79181 2.62488 1.84006 -122.52661 422.16524
5620.0000 -125.64085 -122.65570 2.98515 1.83017 -122.66083 419.60139
5625.0000 -125.13954 -122.10578 3.03376 1.83149 -122.64279 410.85535
5630.0000 -124.91472 -122.19762 2.71710 1.86849 -122.14066 454.19450
5635.0000 -125.27678 -122.05974 3.21704 1.86343 -122.20934 443.82319
5640.0000 -124.17643 -121.38488 2.79156 1.88243 -121.95145 459.30539
5645.0000 -124.83035 -121.45408 3.37626 1.91923 -121.45202 480.49383
5650.0000 -124.72307 -121.33644 3.38663 1.91370 -121.52707 496.38219
5655.0000 -125.19250 -122.11268 3.07982 1.89166 -121.82626 471.91538
5660.0000 -124.89349 -121.98585 2.90763 1.86863 -122.13878 439.09979
5665.0000 -124.25046 -121.21089 3.03956 1.89673 -121.75746 448.17620
5670.0000 -124.32462 -121.45052 2.87410 1.92455 -121.37980 468.79626
5675.0000 -125.07618 -122.18282 2.89336 1.90968 -121.58166 492.96990
5680.0000 -125.57674 -122.47920 3.09754 1.85017 -122.38939 441.15600
5685.0000 -125.71958 -122.85772 2.86186 1.83546 -122.58899 425.39771
5690.0000 -124.66195 -122.34954 2.31242 1.83022 -122.66011 410.21403
5695.0000 -125.12191 -122.01552 3.10638 1.87488 -122.05401 459.13072
5700.0000 -125.04072 -122.83378 2.20694 1.83535 -122.59046 417.18313
5705.0000 -125.39401 -122.75284 2.64116 1.81780 -122.82869 396.22036
5710.0000 -125.65369 -123.38122 2.27247 1.79708 -123.10982 386.84505
5715.0000 -125.38283 -122.50374 2.87909 1.78896 -123.22013 382.40841
5720.0000 -125.01314 -121.62100 3.39213 1.86567 -122.17890 455.28577
5725.0000 -123.99846 -121.06770 2.93076 1.92799 -121.33319 477.67283
5730.0000 -125.36713 -122.03104 3.33609 1.91467 -121.51387 469.30659
5735.0000 -124.76250 -121.40956 3.35293 1.89729 -121.74980 475.14550
5740.0000 -125.59068 -122.03658 3.55410 1.88230 -121.95332 466.63681
5745.0000 -125.05436 -122.68598 2.36838 1.85721 -122.29384 434.39050
5750.0000 -125.56676 -122.33992 3.22684 1.85056 -122.38399 420.79423
FREEZING PROCESS: loop number 24 T-loop= 423.00000000000000
main_MD> interactions number 24 at Temperature= 423.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49984 -0.57604 0.97153
force_rgl> df(natom) -2.78200 1.13755 2.94487
5755.0000 -125.61359 -122.84208 2.77151 1.82051 -122.79182 409.37880
5760.0000 -125.01186 -122.19210 2.81976 1.81787 -122.82767 403.24536
5765.0000 -124.73015 -122.18832 2.54183 1.87632 -122.03438 451.76159
5770.0000 -125.35896 -122.64549 2.71347 1.83152 -122.64251 417.70850
5775.0000 -125.58856 -122.96147 2.62709 1.81646 -122.84682 396.70673
5780.0000 -125.02044 -122.93458 2.08586 1.82328 -122.75422 405.27672
5785.0000 -125.81256 -122.76785 3.04470 1.83285 -122.62433 412.19838
5790.0000 -125.29260 -122.36394 2.92865 1.82040 -122.79332 405.25291
5795.0000 -126.05277 -122.63367 3.41910 1.83561 -122.58696 421.77934
5800.0000 -125.25292 -122.52223 2.73069 1.83511 -122.59376 415.11209
5805.0000 -124.85285 -121.79259 3.06026 1.87441 -122.06029 455.70201
5810.0000 -124.73934 -122.06536 2.67398 1.88879 -121.86515 457.40378
5815.0000 -124.88000 -121.79953 3.08047 1.87941 -121.99247 460.65907
5820.0000 -125.06142 -122.04000 3.02142 1.85223 -122.36140 435.25989
5825.0000 -124.47066 -121.45527 3.01539 1.89900 -121.72663 445.99200
5830.0000 -125.33827 -122.13835 3.19992 1.89503 -121.78051 459.97883
5835.0000 -125.43088 -122.68647 2.74441 1.85358 -122.34301 430.25636
5840.0000 -125.98609 -123.03232 2.95377 1.81759 -122.83157 400.40387
5845.0000 -125.23043 -121.92000 3.31044 1.85111 -122.37660 422.86635
5850.0000 -125.19432 -122.12765 3.06667 1.87843 -122.00575 463.46882
5855.0000 -125.04013 -122.37877 2.66136 1.82670 -122.70788 422.00599
5860.0000 -125.62630 -122.86575 2.76055 1.83993 -122.52837 427.00856
5865.0000 -125.43940 -122.88815 2.55125 1.81894 -122.81320 409.44677
5870.0000 -124.94892 -122.26181 2.68711 1.83685 -122.57014 424.98982
5875.0000 -125.62423 -122.81474 2.80949 1.84503 -122.45911 413.30556
5880.0000 -124.80164 -121.99804 2.80360 1.86460 -122.19352 425.30516
5885.0000 -124.48633 -121.54949 2.93683 1.88801 -121.87571 447.94861
5890.0000 -124.73654 -122.19249 2.54405 1.90532 -121.64077 464.26258
5895.0000 -125.14972 -122.48243 2.66729 1.87094 -122.10744 434.33623
5900.0000 -124.96362 -122.74646 2.21716 1.86105 -122.24161 428.01764
5905.0000 -124.94337 -122.24597 2.69740 1.84383 -122.47540 414.26485
5910.0000 -125.43163 -122.49939 2.93224 1.87108 -122.10550 436.40605
5915.0000 -124.83207 -122.40304 2.42903 1.84506 -122.45867 413.58004
5920.0000 -125.31760 -122.33782 2.97978 1.86776 -122.15055 435.19165
5925.0000 -125.54785 -122.68061 2.86724 1.81001 -122.93432 384.08849
5930.0000 -125.43786 -122.60741 2.83045 1.85454 -122.33001 430.46940
5935.0000 -124.70374 -122.12188 2.58187 1.85806 -122.28228 446.37863
5940.0000 -124.78828 -122.18790 2.60039 1.86041 -122.25038 436.09612
5945.0000 -125.35239 -122.88548 2.46691 1.83557 -122.58742 405.69209
5950.0000 -125.19464 -122.67885 2.51579 1.82639 -122.71204 389.78745
5955.0000 -125.84431 -122.92858 2.91573 1.79948 -123.07735 366.00752
5960.0000 -124.94535 -122.39043 2.55492 1.82524 -122.72768 392.89460
5965.0000 -124.71006 -121.63966 3.07040 1.86289 -122.21663 434.92529
5970.0000 -124.32542 -121.77987 2.54555 1.88697 -121.88982 459.89163
5975.0000 -125.16147 -122.63433 2.52714 1.87754 -122.01792 441.20100
5980.0000 -125.12388 -122.45123 2.67266 1.84689 -122.43382 439.01642
5985.0000 -125.22550 -122.69715 2.52835 1.82751 -122.69691 406.86698
5990.0000 -125.24019 -122.29342 2.94677 1.85798 -122.28329 435.03365
5995.0000 -124.89077 -122.70735 2.18341 1.83128 -122.64565 405.70737
6000.0000 -125.29767 -122.63461 2.66307 1.83207 -122.63503 414.42611
FREEZING PROCESS: loop number 25 T-loop= 398.00000000000000
main_MD> interactions number 25 at Temperature= 398.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.55762 -1.08252 0.38949
force_rgl> df(natom) -1.49156 1.44737 -0.73991
6005.0000 -125.35824 -122.47383 2.88441 1.81414 -122.87836 402.23723
6010.0000 -125.31515 -123.05594 2.25921 1.82796 -122.69075 415.12549
6015.0000 -125.85767 -122.75057 3.10710 1.81329 -122.88980 396.00146
6020.0000 -125.32928 -122.63966 2.68962 1.82972 -122.66688 409.23162
6025.0000 -125.39168 -122.58519 2.80649 1.82488 -122.73260 408.48504
6030.0000 -125.76352 -123.34844 2.41508 1.80998 -122.93485 397.69401
6035.0000 -125.73369 -123.43342 2.30027 1.77790 -123.37014 368.03778
6040.0000 -125.58717 -123.02224 2.56492 1.80639 -122.98354 392.43596
6045.0000 -125.03390 -122.11240 2.92150 1.84004 -122.52678 424.95105
6050.0000 -125.17628 -122.33104 2.84524 1.83872 -122.54479 427.25767
6055.0000 -125.38854 -122.62128 2.76726 1.85100 -122.37812 433.42872
6060.0000 -125.10883 -122.52935 2.57949 1.83395 -122.60945 401.00735
6065.0000 -125.98045 -123.26948 2.71097 1.82276 -122.76130 394.87378
6070.0000 -125.57545 -123.54285 2.03259 1.78400 -123.28735 367.47530
6075.0000 -125.25234 -122.67603 2.57631 1.81376 -122.88346 405.19103
6080.0000 -125.53590 -123.19129 2.34460 1.83036 -122.65826 420.77291
6085.0000 -125.06776 -122.60830 2.45945 1.81138 -122.91574 396.08467
6090.0000 -125.16903 -122.83313 2.33591 1.82874 -122.68017 411.83908
6095.0000 -125.93466 -123.86775 2.06691 1.76059 -123.60513 348.43027
6100.0000 -125.47796 -123.22297 2.25499 1.76253 -123.57874 350.47922
6105.0000 -125.98484 -124.19957 1.78527 1.75177 -123.72477 336.45417
6110.0000 -125.74571 -123.19236 2.55336 1.76924 -123.48779 358.71695
6115.0000 -125.97392 -123.43755 2.53636 1.78234 -123.30989 367.32145
6120.0000 -125.83746 -122.65572 3.18174 1.80651 -122.98186 397.98831
6125.0000 -125.15307 -122.43749 2.71558 1.82966 -122.66774 407.67599
6130.0000 -124.78439 -122.15095 2.63344 1.86906 -122.13301 434.02323
6135.0000 -124.83598 -121.80015 3.03583 1.89721 -121.75092 470.13734
6140.0000 -125.26340 -122.15821 3.10519 1.86707 -122.15991 433.30364
6145.0000 -124.98876 -122.27157 2.71720 1.85309 -122.34964 421.70673
6150.0000 -125.68234 -122.74139 2.94095 1.85910 -122.26807 421.37743
6155.0000 -125.65612 -123.52425 2.13186 1.79529 -123.13414 368.28148
6160.0000 -125.53303 -123.25876 2.27427 1.77737 -123.37740 345.82998
6165.0000 -125.39630 -123.26563 2.13067 1.77666 -123.38705 351.94194
6170.0000 -125.39509 -122.97172 2.42337 1.79087 -123.19415 363.37208
6175.0000 -125.34568 -122.51914 2.82655 1.83271 -122.62632 403.27387
6180.0000 -125.02172 -122.21779 2.80393 1.86046 -122.24972 422.76082
6185.0000 -124.62665 -122.18199 2.44466 1.86444 -122.19571 419.90525
6190.0000 -125.47771 -123.15088 2.32683 1.82228 -122.76781 373.15638
6195.0000 -125.83755 -123.30534 2.53220 1.80053 -123.06306 360.77732
6200.0000 -125.41363 -122.87560 2.53804 1.80461 -123.00761 373.82922
6205.0000 -124.92618 -122.41396 2.51222 1.84716 -122.43020 405.39537
6210.0000 -125.24077 -122.48679 2.75398 1.84127 -122.51013 399.86068
6215.0000 -125.26052 -123.06222 2.19829 1.83844 -122.54856 386.35629
6220.0000 -125.25488 -122.47396 2.78091 1.81275 -122.89720 366.22412
6225.0000 -124.93329 -122.27297 2.66033 1.85633 -122.30568 408.81643
6230.0000 -125.38037 -122.54167 2.83870 1.84488 -122.46109 395.56545
6235.0000 -124.95997 -122.43216 2.52781 1.86186 -122.23072 430.79997
6240.0000 -125.29606 -122.74072 2.55534 1.81884 -122.81451 387.50374
6245.0000 -125.22514 -122.70848 2.51666 1.82044 -122.79276 388.30182
6250.0000 -124.82479 -122.46507 2.35972 1.83773 -122.55814 402.80456
FREEZING PROCESS: loop number 26 T-loop= 373.00000000000000
main_MD> interactions number 26 at Temperature= 373.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55440 -2.57235 -4.70673
force_rgl> df(natom) 1.47193 -0.20588 -2.14134
6255.0000 -125.09916 -122.59236 2.50680 1.85295 -122.35159 423.55680
6260.0000 -125.54222 -122.94339 2.59883 1.83707 -122.56716 401.57328
6265.0000 -125.08974 -122.88152 2.20822 1.80769 -122.96594 378.31386
6270.0000 -125.10855 -122.84926 2.25930 1.81988 -122.80044 395.16494
6275.0000 -125.13823 -122.30655 2.83168 1.84373 -122.47676 420.06128
6280.0000 -125.11337 -122.96254 2.15083 1.82376 -122.74779 391.84283
6285.0000 -125.48357 -122.95893 2.52465 1.77138 -123.45867 345.37073
6290.0000 -125.62096 -123.57261 2.04835 1.79048 -123.19949 365.88018
6295.0000 -125.50566 -123.22123 2.28443 1.78214 -123.31259 365.13667
6300.0000 -125.62861 -123.28163 2.34698 1.78338 -123.29574 357.84570
6305.0000 -125.10516 -122.84554 2.25963 1.79335 -123.16046 365.82137
6310.0000 -124.81739 -122.52306 2.29433 1.82466 -122.73551 394.69212
6315.0000 -125.42944 -122.85680 2.57263 1.82469 -122.73520 388.77909
6320.0000 -125.23981 -122.44073 2.79908 1.82854 -122.68283 377.18863
6325.0000 -125.71775 -123.13953 2.57822 1.81673 -122.84324 384.95338
6330.0000 -125.77046 -123.31898 2.45148 1.79089 -123.19394 359.90122
6335.0000 -125.90959 -123.56241 2.34718 1.78343 -123.29516 353.88049
6340.0000 -125.69638 -123.30293 2.39345 1.76793 -123.50546 342.24535
6345.0000 -125.54624 -122.75320 2.79305 1.80453 -123.00876 375.27961
6350.0000 -125.21419 -122.73285 2.48133 1.82379 -122.74730 392.92085
6355.0000 -125.24979 -122.93775 2.31204 1.80425 -123.01252 378.37216
6360.0000 -125.23552 -122.43857 2.79695 1.81307 -122.89279 374.27701
6365.0000 -125.15949 -122.70918 2.45031 1.82499 -122.73112 396.50993
6370.0000 -125.22255 -123.07025 2.15230 1.82160 -122.77714 385.57984
6375.0000 -125.52988 -123.20427 2.32561 1.79291 -123.16640 362.82219
6380.0000 -125.47308 -123.20275 2.27033 1.78318 -123.29849 355.80563
6385.0000 -125.25531 -122.78467 2.47064 1.80858 -122.95380 385.10660
6390.0000 -125.38561 -123.11011 2.27550 1.79050 -123.19922 359.93116
6395.0000 -125.57348 -122.85752 2.71596 1.81010 -122.93310 379.36654
6400.0000 -126.14344 -123.58719 2.55625 1.78835 -123.22838 362.73331
6405.0000 -125.10040 -122.68349 2.41691 1.78798 -123.23335 355.61446
6410.0000 -125.66573 -123.16346 2.50227 1.82025 -122.79542 377.13919
6415.0000 -125.04115 -122.57104 2.47012 1.78697 -123.24707 350.90545
6420.0000 -125.12706 -122.58800 2.53906 1.81424 -122.87704 381.69405
6425.0000 -125.40570 -123.74043 1.66527 1.79697 -123.11133 373.00633
6430.0000 -125.67332 -123.38562 2.28770 1.76258 -123.57813 337.25939
6435.0000 -125.48698 -122.91364 2.57333 1.81204 -122.90680 385.94303
6440.0000 -125.43683 -122.50076 2.93607 1.83084 -122.65166 397.57371
6445.0000 -125.10590 -122.52346 2.58244 1.87572 -122.04261 437.08176
6450.0000 -124.82749 -122.34812 2.47937 1.83533 -122.59070 393.79548
6455.0000 -125.30654 -122.93292 2.37362 1.82005 -122.79818 387.23555
6460.0000 -125.51651 -122.74905 2.76746 1.81277 -122.89691 378.82310
6465.0000 -125.23552 -122.81768 2.41784 1.82300 -122.75806 391.55738
6470.0000 -124.79539 -121.88135 2.91404 1.85290 -122.35221 412.43891
6475.0000 -125.44692 -122.92196 2.52496 1.85544 -122.31782 421.54217
6480.0000 -124.92380 -122.25231 2.67149 1.80657 -122.98102 374.23887
6485.0000 -125.20537 -122.56507 2.64030 1.85130 -122.37394 418.57716
6490.0000 -125.40762 -123.04321 2.36440 1.81143 -122.91505 385.20717
6495.0000 -124.89430 -122.95336 1.94095 1.79311 -123.16370 366.46929
6500.0000 -125.97651 -123.39429 2.58222 1.81148 -122.91446 382.63778
FREEZING PROCESS: loop number 27 T-loop= 348.00000000000000
main_MD> interactions number 27 at Temperature= 348.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60234 -0.14655 -0.53644
force_rgl> df(natom) -0.74877 1.92941 2.70772
6505.0000 -126.26235 -124.37623 1.88612 1.73313 -123.97778 307.35097
6510.0000 -125.60260 -124.01982 1.58278 1.71108 -124.27705 287.28009
6515.0000 -125.66097 -123.58976 2.07121 1.73900 -123.89816 309.46702
6520.0000 -125.70572 -123.61026 2.09546 1.77450 -123.41632 345.56649
6525.0000 -125.64017 -123.64089 1.99928 1.75243 -123.71581 321.06367
6530.0000 -125.48609 -123.28041 2.20568 1.75373 -123.69828 326.67569
6535.0000 -125.39545 -122.68091 2.71454 1.81031 -122.93031 382.14117
6540.0000 -126.03473 -123.44642 2.58831 1.80872 -122.95191 381.48194
6545.0000 -125.78915 -123.30281 2.48634 1.78388 -123.28901 359.40473
6550.0000 -125.79686 -123.43244 2.36442 1.77004 -123.47680 341.71302
6555.0000 -126.09621 -123.34962 2.74659 1.76653 -123.52456 341.33377
6560.0000 -125.62675 -123.48081 2.14594 1.76504 -123.54471 337.33498
6565.0000 -125.51100 -123.02889 2.48211 1.77702 -123.38216 340.82133
6570.0000 -125.67777 -123.76849 1.90928 1.76949 -123.48428 342.90634
6575.0000 -125.79369 -123.89964 1.89405 1.75327 -123.70447 324.75123
6580.0000 -125.91139 -123.65305 2.25833 1.74372 -123.83409 317.05556
6585.0000 -125.65308 -123.55078 2.10230 1.76667 -123.52260 336.55518
6590.0000 -125.51212 -123.72794 1.78417 1.74944 -123.75646 323.12178
6595.0000 -125.95460 -124.02679 1.92781 1.76160 -123.59141 335.67688
6600.0000 -125.44885 -123.26892 2.17994 1.76282 -123.57485 336.30129
6605.0000 -125.87060 -123.38479 2.48581 1.77237 -123.44522 342.55675
6610.0000 -125.26435 -123.10246 2.16190 1.79041 -123.20035 360.86556
6615.0000 -125.52480 -123.40924 2.11557 1.77400 -123.42307 346.94045
6620.0000 -125.67689 -123.36684 2.31006 1.77740 -123.37697 355.24770
6625.0000 -125.24043 -123.14906 2.09137 1.80385 -123.01798 372.67622
6630.0000 -125.81830 -123.34912 2.46918 1.76989 -123.47884 332.93824
6635.0000 -125.59606 -123.41406 2.18199 1.80305 -123.02887 377.43431
6640.0000 -125.90750 -123.95356 1.95394 1.75144 -123.72937 320.04086
6645.0000 -125.54098 -123.45735 2.08364 1.74912 -123.76084 325.51787
6650.0000 -125.58302 -123.29148 2.29154 1.77242 -123.44455 347.34839
6655.0000 -125.90901 -123.60537 2.30364 1.80799 -122.96178 376.46610
6660.0000 -125.81703 -123.60773 2.20930 1.77971 -123.34562 361.21586
6665.0000 -125.61640 -123.17577 2.44063 1.77752 -123.37539 353.05028
6670.0000 -125.92066 -123.43034 2.49032 1.79384 -123.15386 361.93299
6675.0000 -125.26211 -123.15708 2.10503 1.78143 -123.32224 356.78043
6680.0000 -125.67219 -123.39885 2.27334 1.77866 -123.35981 346.61840
6685.0000 -126.25922 -123.97602 2.28319 1.74470 -123.82083 321.18533
6690.0000 -125.93019 -123.53730 2.39288 1.74434 -123.82573 317.30586
6695.0000 -125.93423 -124.06098 1.87324 1.75389 -123.69601 329.55774
6700.0000 -125.60705 -123.27967 2.32739 1.74107 -123.87003 312.48761
6705.0000 -125.79397 -123.28422 2.50974 1.77401 -123.42301 346.15275
6710.0000 -125.50977 -122.93354 2.57623 1.79701 -123.11083 369.08399
6715.0000 -125.92611 -123.44211 2.48400 1.79655 -123.11709 375.72450
6720.0000 -125.57390 -123.50392 2.06999 1.75894 -123.62749 327.92129
6725.0000 -125.32277 -122.78397 2.53880 1.77426 -123.41956 347.43021
6730.0000 -125.17108 -123.11779 2.05329 1.81178 -122.91035 377.83539
6735.0000 -125.60265 -122.85126 2.75139 1.79898 -123.08413 356.51547
6740.0000 -125.29303 -122.37933 2.91370 1.82629 -122.71343 392.07678
6745.0000 -125.51877 -122.79493 2.72385 1.81313 -122.89201 386.76747
6750.0000 -125.61157 -123.21877 2.39280 1.80964 -122.93947 375.17373
FREEZING PROCESS: loop number 28 T-loop= 323.00000000000000
main_MD> interactions number 28 at Temperature= 323.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72238 0.60716 -0.24323
force_rgl> df(natom) 0.22859 1.33677 -1.85292
6755.0000 -125.79724 -123.68875 2.10850 1.76375 -123.56220 336.32074
6760.0000 -125.61677 -123.63432 1.98244 1.75166 -123.72631 320.65325
6765.0000 -126.22078 -124.72911 1.49167 1.72346 -124.10902 295.67611
6770.0000 -125.61006 -123.99357 1.61648 1.71389 -124.23898 285.63049
6775.0000 -126.15510 -124.41773 1.73736 1.69825 -124.45118 273.43523
6780.0000 -125.64796 -123.65015 1.99781 1.71611 -124.20878 292.06123
6785.0000 -126.07524 -123.50850 2.56674 1.74892 -123.76355 319.90385
6790.0000 -126.00857 -124.12250 1.88607 1.73089 -124.00817 304.17255
6795.0000 -126.08490 -124.11794 1.96696 1.73356 -123.97194 305.12015
6800.0000 -125.99861 -124.20964 1.78897 1.72481 -124.09067 303.76859
6805.0000 -126.05703 -124.11985 1.93719 1.71360 -124.24290 285.63493
6810.0000 -126.40139 -124.49141 1.90998 1.71550 -124.21707 289.10634
6815.0000 -125.66995 -123.64528 2.02467 1.72461 -124.09341 298.85214
6820.0000 -125.92603 -124.08450 1.84153 1.74552 -123.80966 320.17744
6825.0000 -126.32567 -124.49577 1.82990 1.71034 -124.28711 281.88864
6830.0000 -126.31469 -124.57515 1.73953 1.70816 -124.31676 279.05813
6835.0000 -126.14151 -124.11532 2.02618 1.73511 -123.95091 305.11459
6840.0000 -125.89252 -123.79562 2.09690 1.73367 -123.97054 305.36246
6845.0000 -125.99952 -124.37411 1.62542 1.71202 -124.26438 283.05726
6850.0000 -126.49351 -124.61591 1.87759 1.69199 -124.53619 266.80196
6855.0000 -126.09487 -124.03583 2.05904 1.71532 -124.21958 287.33993
6860.0000 -126.19160 -123.88461 2.30698 1.76424 -123.55564 342.32437
6865.0000 -125.84631 -123.72716 2.11915 1.75353 -123.70097 326.34531
6870.0000 -125.75001 -123.88205 1.86797 1.74422 -123.82731 316.75427
6875.0000 -126.07170 -123.92220 2.14950 1.74551 -123.80983 314.13704
6880.0000 -125.90670 -123.77355 2.13314 1.76497 -123.54574 337.74654
6885.0000 -125.90774 -123.54651 2.36122 1.75639 -123.66210 330.74873
6890.0000 -125.95355 -123.80421 2.14934 1.74158 -123.86311 314.58244
6895.0000 -126.08971 -124.01881 2.07090 1.73519 -123.94982 304.68924
6900.0000 -126.16669 -124.09388 2.07280 1.72689 -124.06245 299.51990
6905.0000 -125.78400 -123.76525 2.01875 1.72822 -124.04439 298.07589
6910.0000 -126.04321 -124.07235 1.97086 1.74010 -123.88319 311.15836
6915.0000 -125.35891 -123.69767 1.66124 1.72106 -124.14160 294.17083
6920.0000 -126.03493 -123.98282 2.05211 1.73208 -123.99202 306.02680
6925.0000 -125.67302 -123.45413 2.21889 1.75715 -123.65181 331.56534
6930.0000 -125.68413 -123.50231 2.18181 1.77113 -123.46202 340.28877
6935.0000 -125.70123 -123.70148 1.99974 1.76098 -123.59982 335.76709
6940.0000 -125.96774 -123.99596 1.97178 1.74801 -123.77583 323.60179
6945.0000 -125.46980 -123.47969 1.99011 1.75149 -123.72860 327.75440
6950.0000 -125.45136 -123.52732 1.92404 1.77648 -123.38941 349.87026
6955.0000 -125.88595 -123.48547 2.40047 1.74851 -123.76901 318.18377
6960.0000 -125.86196 -123.70719 2.15478 1.77537 -123.40452 346.09163
6965.0000 -125.69227 -124.12423 1.56804 1.74106 -123.87014 314.07111
6970.0000 -125.86006 -123.81726 2.04279 1.72954 -124.02649 302.30452
6975.0000 -125.84636 -123.92141 1.92495 1.73109 -124.00551 307.49966
6980.0000 -125.55879 -123.26267 2.29612 1.77933 -123.35075 348.81649
6985.0000 -125.31653 -123.19619 2.12034 1.77399 -123.42327 341.01816
6990.0000 -125.59383 -123.85050 1.74333 1.77550 -123.40280 342.48808
6995.0000 -126.02832 -124.32846 1.69986 1.72208 -124.12781 292.23498
7000.0000 -125.71183 -124.19276 1.51908 1.70547 -124.35315 276.66512
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 43.3763972 [s].
main_MD> Deallocating global variables
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