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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_37/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_37.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 = 37 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1350
main_MD> Size of nv and nvoiz: 37 3700
main_MD> Size of nv and nvoiz: 37 3700
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 = 37
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> 0.16005742253045294 -3.7852959199840774E-002 -0.21511994593134445 initial drift of cluster / NP1 for coalescence
init> 0.38477300622646970 0.32375079717497263 0.24312377749125044 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.3917816319187881E-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) 1.05667 2.35134 2.27999
force_rgl> df(natom) 2.20048 -1.07668 1.48054
preparo> THERMALIZATION PROCESS AT 1002.4600743415805
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -79.851263858587956 4.5375156987777023 -84.388779557365652 5.8000295208797815E-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 27
FREEZING PROCESS: loop number 1 T-loop= 973.00000000000000
main_MD> interactions number 1 at Temperature= 973.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29020 1.40850 1.53398
force_rgl> df(natom) 0.13913 -1.35312 0.53568
5.0000 -86.53814 -81.13774 5.40040 2.61248 -80.14180 1073.38415
10.0000 -85.43183 -80.64063 4.79121 2.53733 -80.97629 1005.67909
15.0000 -86.51872 -80.91925 5.59947 2.55359 -80.79570 1072.36831
20.0000 -85.49561 -80.94018 4.55543 2.47887 -81.62542 935.75640
25.0000 -85.06891 -79.88494 5.18397 2.53256 -81.02920 954.10583
30.0000 -85.75516 -80.61646 5.13869 2.64016 -79.83447 1083.42283
35.0000 -86.53005 -81.27266 5.25739 2.54056 -80.94042 999.29693
40.0000 -86.88037 -82.66133 4.21904 2.47469 -81.67176 975.46283
45.0000 -86.10869 -80.34626 5.76243 2.55394 -80.79178 1054.61778
50.0000 -87.64413 -81.95181 5.69232 2.53190 -81.03656 1019.13787
55.0000 -87.67810 -82.94439 4.73371 2.42317 -82.24388 933.80316
60.0000 -86.12662 -82.09948 4.02714 2.45750 -81.86262 922.22044
65.0000 -87.69696 -83.32591 4.37104 2.36619 -82.87651 853.05713
70.0000 -86.27808 -81.78157 4.49652 2.41159 -82.37244 928.29261
75.0000 -86.15808 -82.34476 3.81333 2.47274 -81.69347 964.35144
80.0000 -86.87927 -82.00347 4.87580 2.41205 -82.36731 929.14455
85.0000 -87.17751 -82.40169 4.77581 2.42797 -82.19060 965.86944
90.0000 -85.63147 -81.29451 4.33696 2.46357 -81.79523 976.10018
95.0000 -86.29633 -82.25388 4.04245 2.45074 -81.93772 914.95050
100.0000 -87.87643 -83.28498 4.59145 2.37799 -82.74549 873.82294
105.0000 -86.25043 -80.95778 5.29265 2.46527 -81.77642 1007.09961
110.0000 -84.76519 -80.69871 4.06648 2.54013 -80.94519 1008.71707
115.0000 -85.00265 -79.48986 5.51279 2.64574 -79.77253 1065.73051
120.0000 -84.93579 -79.85127 5.08452 2.64906 -79.73560 1083.25945
125.0000 -87.10842 -82.61028 4.49815 2.49362 -81.46163 969.87346
130.0000 -86.58184 -82.35161 4.23023 2.37656 -82.76133 899.02143
135.0000 -85.36434 -81.26925 4.09509 2.42691 -82.20228 951.32685
140.0000 -85.83612 -81.57897 4.25715 2.49591 -81.43617 950.08988
145.0000 -85.71094 -82.76845 2.94249 2.49697 -81.42437 969.38378
150.0000 -86.78847 -80.98009 5.80838 2.50102 -81.37947 1007.83071
155.0000 -86.85334 -80.47092 6.38242 2.53589 -80.99218 1004.59799
160.0000 -84.47855 -80.26440 4.21415 2.55110 -80.82335 1067.05007
165.0000 -86.31160 -81.55834 4.75326 2.52159 -81.15102 998.37913
170.0000 -85.38953 -81.35376 4.03577 2.48332 -81.57597 999.40277
175.0000 -86.31774 -81.27587 5.04187 2.48048 -81.60745 954.82640
180.0000 -86.39240 -80.87449 5.51791 2.53671 -80.98317 1029.24107
185.0000 -84.10754 -80.35163 3.75592 2.56520 -80.66681 1084.99050
190.0000 -86.38573 -82.39575 3.98997 2.52695 -81.09145 982.77135
195.0000 -85.68542 -80.81499 4.87044 2.47709 -81.64510 955.82757
200.0000 -85.40463 -80.49704 4.90759 2.63209 -79.92401 1062.84355
205.0000 -86.81958 -81.73632 5.08327 2.55927 -80.73263 1033.68831
210.0000 -86.76217 -83.15235 3.60982 2.39813 -82.52185 902.99268
215.0000 -87.41845 -82.63983 4.77862 2.36607 -82.87785 892.83515
220.0000 -86.02952 -81.72753 4.30199 2.44944 -81.95211 946.50277
225.0000 -86.76167 -82.03012 4.73155 2.47302 -81.69036 958.36769
230.0000 -87.37761 -82.87241 4.50520 2.42166 -82.26063 926.35187
235.0000 -86.41378 -81.91016 4.50362 2.38518 -82.66562 946.40898
240.0000 -85.34514 -80.46417 4.88096 2.48671 -81.53831 921.79463
245.0000 -87.26917 -83.61732 3.65185 2.48804 -81.52358 949.07498
250.0000 -85.51316 -82.26196 3.25119 2.36470 -82.89305 852.34373
FREEZING PROCESS: loop number 2 T-loop= 948.00000000000000
main_MD> interactions number 2 at Temperature= 948.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15563 -0.60741 1.04404
force_rgl> df(natom) -3.10295 5.72822 2.63028
255.0000 -84.30331 -79.75946 4.54385 2.55798 -80.74697 1045.80506
260.0000 -85.37133 -80.09721 5.27412 2.65600 -79.65853 1072.46249
265.0000 -87.05341 -81.96365 5.08976 2.51488 -81.22552 1045.68072
270.0000 -85.47006 -80.81495 4.65511 2.51282 -81.24842 1012.86115
275.0000 -85.38198 -81.44943 3.93254 2.50662 -81.31725 990.17552
280.0000 -85.64924 -80.59790 5.05134 2.47104 -81.71229 948.94175
285.0000 -86.38334 -81.47006 4.91327 2.53506 -81.00142 1038.26410
290.0000 -85.70906 -81.22153 4.48753 2.54848 -80.85243 1068.01307
295.0000 -86.89660 -82.68389 4.21271 2.49035 -81.49787 930.67985
300.0000 -86.77466 -82.06102 4.71364 2.44246 -82.02961 919.49650
305.0000 -87.22385 -82.90136 4.32250 2.38621 -82.65428 878.71667
310.0000 -87.54544 -83.39895 4.14648 2.38738 -82.64128 884.74622
315.0000 -86.89762 -82.47610 4.42152 2.37501 -82.77861 892.92871
320.0000 -85.82663 -81.92816 3.89847 2.47797 -81.63536 986.07745
325.0000 -86.79772 -82.57515 4.22257 2.34677 -83.09214 860.72880
330.0000 -87.25549 -82.98277 4.27272 2.38374 -82.68165 905.11890
335.0000 -87.44330 -83.65862 3.78468 2.33957 -83.17214 877.88078
340.0000 -86.78614 -82.07602 4.71012 2.30636 -83.54085 878.77984
345.0000 -85.21356 -80.42596 4.78760 2.48231 -81.58717 961.36142
350.0000 -86.07933 -81.79071 4.28862 2.51557 -81.21790 1023.14851
355.0000 -86.66961 -82.46337 4.20624 2.36511 -82.88853 887.16829
360.0000 -86.54898 -82.00589 4.54308 2.41917 -82.28829 912.73677
365.0000 -86.21470 -80.69726 5.51744 2.51776 -81.19354 974.44804
370.0000 -84.78546 -80.42341 4.36205 2.56456 -80.67385 1060.46386
375.0000 -86.61300 -81.34466 5.26834 2.60466 -80.22858 1079.49106
380.0000 -84.70141 -79.84509 4.85632 2.55097 -80.82477 1007.06414
385.0000 -84.30272 -79.76190 4.54081 2.62822 -79.96699 1029.61000
390.0000 -85.87557 -81.23298 4.64259 2.59213 -80.36771 990.99822
395.0000 -86.37639 -81.64663 4.72976 2.51678 -81.20443 964.03383
400.0000 -86.18912 -80.81789 5.37124 2.48741 -81.53054 1006.57460
405.0000 -86.22930 -81.73960 4.48970 2.53409 -81.01217 985.00940
410.0000 -86.89336 -81.35311 5.54025 2.50826 -81.29907 981.20912
415.0000 -87.28801 -82.97742 4.31058 2.39201 -82.58986 915.75240
420.0000 -87.15114 -83.05402 4.09712 2.36613 -82.87722 909.28315
425.0000 -87.30816 -83.78019 3.52797 2.32592 -83.32370 810.47963
430.0000 -86.48748 -81.61180 4.87568 2.43974 -82.05983 920.78044
435.0000 -85.88256 -81.23511 4.64745 2.49922 -81.39942 950.02021
440.0000 -85.47189 -81.44814 4.02375 2.57775 -80.52745 1034.77192
445.0000 -85.51449 -80.00385 5.51064 2.55205 -80.81283 992.68649
450.0000 -85.57079 -80.98945 4.58134 2.58021 -80.50013 1014.33084
455.0000 -86.02826 -80.37904 5.64922 2.53416 -81.01139 1018.40895
460.0000 -85.95511 -81.93149 4.02362 2.45800 -81.85708 939.37645
465.0000 -87.15881 -81.68454 5.47427 2.59084 -80.38213 1071.05794
470.0000 -86.23196 -81.39514 4.83682 2.52946 -81.06368 963.88993
475.0000 -86.10835 -82.02972 4.07863 2.43880 -82.07029 954.88634
480.0000 -85.99331 -81.14094 4.85237 2.50461 -81.33955 939.09392
485.0000 -85.69601 -81.39720 4.29881 2.45865 -81.84985 948.23790
490.0000 -85.96902 -81.53108 4.43793 2.52334 -81.13158 991.72936
495.0000 -85.60770 -81.62869 3.97900 2.51282 -81.24834 989.12076
500.0000 -86.01597 -81.39167 4.62430 2.50471 -81.33850 986.98156
FREEZING PROCESS: loop number 3 T-loop= 923.00000000000000
main_MD> interactions number 3 at Temperature= 923.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91610 -1.85925 0.76729
force_rgl> df(natom) 0.76866 -0.98695 -1.71157
505.0000 -87.13964 -81.85846 5.28119 2.50394 -81.34702 959.03174
510.0000 -85.99948 -80.94236 5.05713 2.53304 -81.02387 1007.48511
515.0000 -87.61062 -83.45268 4.15794 2.37446 -82.78467 858.75066
520.0000 -86.27117 -82.06225 4.20892 2.35308 -83.02207 863.57561
525.0000 -87.97043 -84.41201 3.55842 2.33528 -83.21976 874.06471
530.0000 -87.41368 -82.58023 4.83344 2.29726 -83.64190 793.38816
535.0000 -87.56074 -82.90557 4.65517 2.36974 -82.83706 872.34811
540.0000 -86.83988 -81.81217 5.02770 2.43001 -82.16788 936.87805
545.0000 -85.38613 -80.23524 5.15089 2.59245 -80.36423 1084.15804
550.0000 -86.85616 -80.23644 6.61972 2.57611 -80.54568 1043.88653
555.0000 -84.59737 -78.82974 5.76763 2.68503 -79.33621 1137.70940
560.0000 -85.61135 -80.59238 5.01897 2.64009 -79.83527 1052.24858
565.0000 -87.04218 -82.18532 4.85686 2.50985 -81.28133 1034.66069
570.0000 -87.79729 -83.55916 4.23813 2.41715 -82.31069 899.71941
575.0000 -87.66334 -84.42542 3.23792 2.23419 -84.34217 742.18144
580.0000 -86.25161 -82.27822 3.97339 2.33071 -83.27047 792.70511
585.0000 -87.68061 -83.77291 3.90770 2.35969 -82.94873 855.62171
590.0000 -85.96712 -81.83973 4.12739 2.39997 -82.50146 914.46252
595.0000 -85.78043 -80.74958 5.03086 2.51357 -81.24002 1000.57873
600.0000 -85.74200 -82.51572 3.22628 2.47500 -81.66835 947.02335
605.0000 -86.88571 -81.40512 5.48058 2.42334 -82.24198 957.30627
610.0000 -87.01409 -82.47168 4.54241 2.47445 -81.67441 982.10613
615.0000 -87.41043 -82.83322 4.57721 2.36058 -82.93884 883.08685
620.0000 -86.26373 -82.81097 3.45275 2.33449 -83.22847 822.41663
625.0000 -87.18457 -82.71215 4.47242 2.39466 -82.56036 886.61336
630.0000 -86.71052 -82.50545 4.20508 2.40388 -82.45807 914.21038
635.0000 -86.17154 -82.50840 3.66313 2.38388 -82.68005 903.35604
640.0000 -86.19057 -81.09899 5.09158 2.49837 -81.40888 993.67569
645.0000 -86.77811 -81.82351 4.95460 2.54379 -80.90448 1097.89874
650.0000 -86.64254 -82.81118 3.83136 2.41491 -82.33560 925.95469
655.0000 -86.87547 -82.45224 4.42323 2.39969 -82.50460 895.68190
660.0000 -86.01419 -82.12202 3.89217 2.40443 -82.45193 908.53421
665.0000 -87.09655 -84.04741 3.04914 2.38464 -82.67162 887.40255
670.0000 -86.42871 -82.77348 3.65523 2.30948 -83.50617 807.76154
675.0000 -86.37923 -82.19669 4.18254 2.42575 -82.21521 923.51130
680.0000 -87.61404 -81.23523 6.37881 2.45801 -81.85698 953.03662
685.0000 -86.28425 -82.70732 3.57692 2.42979 -82.17033 915.03474
690.0000 -87.41828 -83.31735 4.10093 2.40000 -82.50112 868.81076
695.0000 -86.53302 -81.15340 5.37962 2.41892 -82.29103 910.61319
700.0000 -87.40494 -83.74604 3.65890 2.37016 -82.83249 918.50551
705.0000 -86.46938 -83.03799 3.43139 2.32743 -83.30695 856.96569
710.0000 -86.37387 -81.23408 5.13979 2.49183 -81.48141 1003.38350
715.0000 -86.68428 -82.00332 4.68096 2.47078 -81.71522 943.69520
720.0000 -86.78877 -82.07499 4.71378 2.38551 -82.66205 884.53592
725.0000 -85.27855 -81.53273 3.74582 2.42237 -82.25269 915.20644
730.0000 -84.78012 -80.99021 3.78991 2.54876 -80.84933 1033.83700
735.0000 -86.05291 -81.15394 4.89896 2.53126 -81.04367 1044.77118
740.0000 -86.28152 -82.06078 4.22074 2.42520 -82.22127 903.53638
745.0000 -86.71511 -82.62730 4.08781 2.40272 -82.47094 903.47560
750.0000 -86.30087 -81.83735 4.46352 2.44865 -81.96087 949.53930
FREEZING PROCESS: loop number 4 T-loop= 898.00000000000000
main_MD> interactions number 4 at Temperature= 898.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38042 0.36982 -1.40080
force_rgl> df(natom) 2.80258 -5.41259 -0.94053
755.0000 -87.16451 -82.02582 5.13869 2.47971 -81.61606 993.24053
760.0000 -86.96243 -82.75234 4.21009 2.41111 -82.37770 923.78575
765.0000 -86.74836 -82.23342 4.51495 2.37694 -82.75712 883.31600
770.0000 -86.84971 -82.15288 4.69683 2.49033 -81.49806 965.41316
775.0000 -86.27159 -81.66359 4.60800 2.47507 -81.66760 943.67444
780.0000 -86.28476 -82.17700 4.10775 2.48684 -81.53691 961.29734
785.0000 -86.71989 -82.60377 4.11612 2.41426 -82.34283 881.67369
790.0000 -87.57726 -83.62946 3.94780 2.32728 -83.30857 860.28417
795.0000 -86.15182 -82.02179 4.13003 2.31875 -83.40326 854.76866
800.0000 -85.67156 -80.82473 4.84683 2.46088 -81.82511 949.13093
805.0000 -86.11499 -81.04769 5.06730 2.53192 -81.03628 985.92213
810.0000 -85.56555 -81.22897 4.33658 2.47138 -81.70851 928.77446
815.0000 -86.83413 -82.04981 4.78433 2.52015 -81.16698 992.82055
820.0000 -87.49410 -83.81053 3.68357 2.34840 -83.07402 840.99332
825.0000 -86.81022 -82.35641 4.45381 2.37805 -82.74479 863.54918
830.0000 -86.55241 -82.82167 3.73074 2.42862 -82.18336 925.12952
835.0000 -87.25597 -84.11464 3.14134 2.32505 -83.33335 892.01598
840.0000 -88.19130 -84.15951 4.03179 2.26287 -84.02372 845.81358
845.0000 -87.18249 -82.90577 4.27672 2.29568 -83.65944 856.91757
850.0000 -86.60853 -81.95595 4.65258 2.35966 -82.94904 871.38010
855.0000 -87.64185 -83.55248 4.08937 2.38441 -82.67423 903.54010
860.0000 -87.28667 -83.58250 3.70417 2.32366 -83.34875 848.78031
865.0000 -87.23761 -82.60336 4.63425 2.37003 -82.83386 899.62855
870.0000 -87.09318 -83.15591 3.93727 2.31923 -83.39798 827.33803
875.0000 -87.56421 -83.45909 4.10512 2.37538 -82.77447 898.49190
880.0000 -86.66218 -82.89214 3.77004 2.35679 -82.98095 874.57497
885.0000 -85.89785 -82.36578 3.53206 2.36992 -82.83506 912.61076
890.0000 -85.55424 -81.78188 3.77236 2.43350 -82.12912 938.04414
895.0000 -87.12423 -82.88870 4.23552 2.42701 -82.20124 922.52241
900.0000 -85.71068 -82.21620 3.49448 2.38795 -82.63491 911.75800
905.0000 -87.04773 -82.95190 4.09583 2.39713 -82.53297 859.64848
910.0000 -85.49637 -82.05077 3.44560 2.36131 -82.93075 871.64329
915.0000 -86.41586 -82.84073 3.57513 2.38751 -82.63984 902.89367
920.0000 -86.46645 -81.62594 4.84051 2.42794 -82.19086 881.02404
925.0000 -86.65587 -82.66763 3.98824 2.44007 -82.05614 960.00061
930.0000 -87.09535 -84.05285 3.04250 2.34390 -83.12403 827.64356
935.0000 -88.15832 -83.74422 4.41411 2.29068 -83.71495 821.26704
940.0000 -85.75759 -81.44162 4.31597 2.35485 -83.00245 833.75695
945.0000 -85.92151 -81.65645 4.26506 2.49386 -81.45894 984.14328
950.0000 -86.74776 -82.45973 4.28804 2.42878 -82.18158 954.20887
955.0000 -86.89562 -82.05693 4.83869 2.49367 -81.46100 980.66092
960.0000 -86.35962 -82.28151 4.07811 2.41924 -82.28745 935.65250
965.0000 -87.15585 -83.04007 4.11578 2.41350 -82.35125 909.95988
970.0000 -86.81376 -83.00641 3.80735 2.31542 -83.44027 838.78746
975.0000 -87.23496 -82.45042 4.78454 2.37819 -82.74330 871.54061
980.0000 -86.56848 -82.37868 4.18980 2.36858 -82.84998 875.70295
985.0000 -86.72814 -81.82066 4.90748 2.42671 -82.20448 925.09948
990.0000 -86.40438 -82.83666 3.56772 2.43844 -82.07427 880.05377
995.0000 -86.07592 -81.38596 4.68997 2.48521 -81.55502 922.22333
1000.0000 -86.22985 -81.47542 4.75442 2.45751 -81.86257 927.73833
FREEZING PROCESS: loop number 5 T-loop= 873.00000000000000
main_MD> interactions number 5 at Temperature= 873.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.24948 -0.34722 0.88662
force_rgl> df(natom) 1.43199 3.51892 2.58069
1005.0000 -86.51361 -82.03598 4.47763 2.44557 -81.99511 916.37779
1010.0000 -87.22322 -83.41612 3.80710 2.38525 -82.66486 900.76345
1015.0000 -87.40520 -83.22019 4.18500 2.29791 -83.63465 819.47115
1020.0000 -86.82000 -83.80109 3.01892 2.28634 -83.76311 844.66732
1025.0000 -88.32417 -83.49691 4.82726 2.30071 -83.60365 857.80993
1030.0000 -86.91062 -81.66830 5.24232 2.37491 -82.77970 908.28392
1035.0000 -86.82037 -82.45296 4.36740 2.44215 -82.03310 935.46631
1040.0000 -87.19161 -82.25627 4.93534 2.38423 -82.67623 890.72842
1045.0000 -87.59096 -83.48204 4.10891 2.41786 -82.30279 935.41961
1050.0000 -87.53778 -84.04885 3.48892 2.29718 -83.64276 777.05304
1055.0000 -87.92817 -83.28366 4.64451 2.31664 -83.42668 790.75405
1060.0000 -86.46000 -82.56951 3.89050 2.37253 -82.80611 903.81213
1065.0000 -86.70325 -82.42332 4.27993 2.41007 -82.38929 923.13660
1070.0000 -86.79463 -82.41183 4.38280 2.36513 -82.88834 903.38293
1075.0000 -87.25889 -82.81079 4.44810 2.32717 -83.30981 895.89166
1080.0000 -87.58643 -83.23282 4.35361 2.39547 -82.55141 914.99357
1085.0000 -86.81145 -81.26509 5.54636 2.41205 -82.36730 934.73062
1090.0000 -85.23532 -80.94536 4.28997 2.51209 -81.25650 1003.50664
1095.0000 -87.25074 -81.94873 5.30201 2.49372 -81.46044 983.76183
1100.0000 -87.20572 -83.23310 3.97262 2.36552 -82.88402 873.27373
1105.0000 -85.62508 -82.22084 3.40423 2.43841 -82.07462 901.18626
1110.0000 -85.83359 -80.74396 5.08963 2.50447 -81.34107 987.55440
1115.0000 -87.31680 -82.68976 4.62704 2.41153 -82.37314 932.04988
1120.0000 -86.70373 -82.46060 4.24313 2.41065 -82.38290 914.39665
1125.0000 -86.35311 -82.24715 4.10597 2.40546 -82.44054 905.44842
1130.0000 -86.31273 -81.53080 4.78193 2.42297 -82.24612 923.11764
1135.0000 -88.40237 -84.32142 4.08095 2.34246 -83.14002 870.51301
1140.0000 -87.41522 -83.57906 3.83616 2.27438 -83.89593 776.23615
1145.0000 -87.88139 -83.97935 3.90203 2.28003 -83.83323 785.72928
1150.0000 -88.20067 -84.39508 3.80559 2.24278 -84.24683 756.26153
1155.0000 -87.88435 -84.30714 3.57721 2.26512 -83.99882 804.97502
1160.0000 -87.76640 -83.11404 4.65236 2.23643 -84.31730 767.16406
1165.0000 -87.36159 -82.82841 4.53318 2.34558 -83.10540 887.83760
1170.0000 -87.82194 -83.86062 3.96132 2.36251 -82.91737 905.11229
1175.0000 -87.52867 -83.73733 3.79134 2.28501 -83.77793 783.45575
1180.0000 -87.15232 -83.08007 4.07225 2.32019 -83.38729 825.62190
1185.0000 -87.65773 -83.92795 3.72978 2.36390 -82.90195 836.50678
1190.0000 -86.93090 -82.50526 4.42564 2.35701 -82.97845 871.15057
1195.0000 -87.28147 -83.52125 3.76022 2.31668 -83.42625 828.72715
1200.0000 -88.89716 -84.63655 4.26061 2.24828 -84.18581 796.22216
1205.0000 -88.37492 -83.74511 4.62981 2.24192 -84.25640 780.64898
1210.0000 -87.08086 -83.70688 3.37398 2.28316 -83.79852 807.44216
1215.0000 -86.51847 -82.51072 4.00776 2.32887 -83.29094 868.15669
1220.0000 -87.64800 -83.22206 4.42594 2.33723 -83.19814 848.26374
1225.0000 -87.55973 -83.66053 3.89919 2.33909 -83.17744 861.12631
1230.0000 -88.16626 -84.22341 3.94285 2.25479 -84.11353 792.84587
1235.0000 -87.31629 -83.39346 3.92283 2.27630 -83.87459 794.83725
1240.0000 -86.42654 -82.22988 4.19666 2.36275 -82.91476 879.89869
1245.0000 -86.43363 -82.17731 4.25631 2.42417 -82.23277 912.68857
1250.0000 -86.38135 -81.31264 5.06871 2.47314 -81.68904 955.88561
FREEZING PROCESS: loop number 6 T-loop= 848.00000000000000
main_MD> interactions number 6 at Temperature= 848.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28283 1.30474 -0.06953
force_rgl> df(natom) 0.51397 -2.88303 -0.25111
1255.0000 -86.74750 -82.26464 4.48286 2.45161 -81.92808 958.30461
1260.0000 -87.44094 -83.30853 4.13241 2.37174 -82.81490 905.53022
1265.0000 -86.86489 -83.79915 3.06574 2.33532 -83.21936 882.91774
1270.0000 -86.89304 -83.20600 3.68704 2.29826 -83.63084 868.82128
1275.0000 -86.76587 -82.72403 4.04183 2.31494 -83.44557 889.53621
1280.0000 -86.28571 -82.58060 3.70511 2.33503 -83.22257 882.72493
1285.0000 -86.58770 -83.09781 3.48990 2.37305 -82.80035 892.85734
1290.0000 -87.23281 -83.67525 3.55756 2.28321 -83.79791 809.42265
1295.0000 -86.85337 -82.50031 4.35306 2.36135 -82.93027 900.62911
1300.0000 -86.93599 -81.96874 4.96724 2.42195 -82.25736 918.21912
1305.0000 -86.94953 -83.12554 3.82399 2.40689 -82.42459 913.67561
1310.0000 -87.88976 -84.13725 3.75252 2.33311 -83.24388 843.68493
1315.0000 -88.29806 -84.20904 4.08902 2.25867 -84.07044 797.71534
1320.0000 -88.12616 -83.78596 4.34019 2.26164 -84.03742 806.60704
1325.0000 -88.26546 -84.51752 3.74794 2.26314 -84.02080 816.31358
1330.0000 -89.04946 -85.38194 3.66752 2.19683 -84.75702 775.99625
1335.0000 -88.13289 -83.91977 4.21313 2.21086 -84.60127 770.14855
1340.0000 -87.13565 -82.73034 4.40531 2.33584 -83.21350 878.18568
1345.0000 -85.96111 -81.42008 4.54103 2.43062 -82.16111 915.14769
1350.0000 -87.38824 -82.61814 4.77011 2.44762 -81.97236 923.97706
1355.0000 -86.72606 -82.23939 4.48667 2.39436 -82.56379 887.13709
1360.0000 -86.62982 -82.18606 4.44376 2.39792 -82.52426 889.11107
1365.0000 -85.50484 -82.35670 3.14814 2.44705 -81.97866 946.44145
1370.0000 -86.86748 -83.42429 3.44320 2.39523 -82.55403 868.16946
1375.0000 -87.08030 -82.38976 4.69054 2.36125 -82.93133 847.83608
1380.0000 -88.64396 -84.62036 4.02360 2.29025 -83.71975 802.86501
1385.0000 -88.09493 -84.13210 3.96283 2.27581 -83.88008 793.27924
1390.0000 -87.46298 -83.42931 4.03367 2.32971 -83.28164 862.40847
1395.0000 -87.35885 -83.39335 3.96550 2.32817 -83.29864 858.18655
1400.0000 -86.42858 -82.41798 4.01061 2.33437 -83.22990 856.67561
1405.0000 -86.94762 -82.72951 4.21811 2.41054 -82.38411 897.62493
1410.0000 -86.35172 -82.05979 4.29193 2.35028 -83.05315 893.44722
1415.0000 -86.94687 -82.39851 4.54836 2.42980 -82.17023 968.38938
1420.0000 -87.08761 -82.93455 4.15306 2.35116 -83.04344 882.10860
1425.0000 -86.39437 -81.70346 4.69092 2.38229 -82.69772 865.13341
1430.0000 -85.73285 -81.98515 3.74770 2.49461 -81.45063 982.62950
1435.0000 -86.74099 -82.28529 4.45570 2.41563 -82.32758 934.52937
1440.0000 -87.19940 -82.62631 4.57309 2.48095 -81.60231 938.17330
1445.0000 -87.74814 -83.54102 4.20712 2.30191 -83.59023 796.51531
1450.0000 -88.24901 -83.74982 4.49919 2.29592 -83.65675 849.63299
1455.0000 -87.66092 -83.70629 3.95463 2.32251 -83.36151 838.48108
1460.0000 -87.79251 -83.48592 4.30659 2.30021 -83.60912 784.24219
1465.0000 -86.87123 -83.17854 3.69269 2.33579 -83.21404 853.53429
1470.0000 -87.70730 -83.47762 4.22968 2.31437 -83.45193 838.26462
1475.0000 -88.24115 -83.75338 4.48776 2.32213 -83.36578 846.18015
1480.0000 -88.34013 -83.86671 4.47342 2.25616 -84.09831 802.22447
1485.0000 -87.11084 -83.16193 3.94891 2.30507 -83.55524 816.84255
1490.0000 -87.76456 -83.58968 4.17488 2.31829 -83.40842 835.99513
1495.0000 -87.08169 -82.91971 4.16198 2.29773 -83.63672 819.22446
1500.0000 -85.38046 -80.84908 4.53138 2.38706 -82.64481 854.38183
FREEZING PROCESS: loop number 7 T-loop= 823.00000000000000
main_MD> interactions number 7 at Temperature= 823.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.14639 2.77715 -0.78587
force_rgl> df(natom) 2.93161 3.60685 -0.21607
1505.0000 -86.30158 -82.42744 3.87414 2.53351 -81.01868 1017.42725
1510.0000 -88.20597 -84.23768 3.96830 2.33586 -83.21330 875.56751
1515.0000 -87.26041 -82.83754 4.42286 2.29396 -83.67856 776.17346
1520.0000 -85.30449 -82.26923 3.03526 2.41164 -82.37192 878.60610
1525.0000 -87.52634 -82.75675 4.76959 2.34471 -83.11499 851.50003
1530.0000 -86.57219 -82.74421 3.82798 2.39778 -82.52581 862.93032
1535.0000 -86.81094 -82.93280 3.87814 2.40341 -82.46322 886.17609
1540.0000 -86.96328 -83.57158 3.39169 2.37306 -82.80020 890.42343
1545.0000 -87.43650 -84.60353 2.83297 2.25198 -84.14467 745.67275
1550.0000 -87.55115 -84.23728 3.31388 2.24733 -84.19637 746.87111
1555.0000 -88.36063 -84.24426 4.11637 2.25285 -84.13497 767.66309
1560.0000 -87.53730 -84.07702 3.46028 2.30400 -83.56712 844.26253
1565.0000 -88.71947 -85.33934 3.38013 2.22241 -84.47301 763.74604
1570.0000 -88.77959 -84.62169 4.15789 2.17892 -84.95588 702.97424
1575.0000 -87.29029 -82.56813 4.72216 2.30568 -83.54837 821.40265
1580.0000 -87.53010 -83.14657 4.38353 2.37365 -82.79367 882.99778
1585.0000 -87.98758 -83.91770 4.06988 2.31409 -83.45508 819.84489
1590.0000 -88.05294 -84.29517 3.75777 2.28675 -83.75866 805.08893
1595.0000 -87.69890 -84.66413 3.03477 2.16633 -85.09568 692.78309
1600.0000 -87.22080 -84.16850 3.05230 2.21949 -84.50544 757.47456
1605.0000 -87.87712 -83.49162 4.38550 2.24088 -84.26791 744.89840
1610.0000 -86.68507 -82.54817 4.13690 2.35810 -82.96632 881.88143
1615.0000 -87.56435 -82.49613 5.06822 2.39350 -82.57328 898.11751
1620.0000 -87.20294 -82.07266 5.13027 2.47276 -81.69326 987.16294
1625.0000 -87.89196 -84.01695 3.87500 2.31265 -83.47107 853.09318
1630.0000 -86.34938 -82.46062 3.88876 2.32600 -83.32282 855.73822
1635.0000 -89.87413 -85.78782 4.08631 2.22671 -84.42530 786.50425
1640.0000 -88.02579 -84.31842 3.70737 2.20794 -84.63374 771.60420
1645.0000 -87.76110 -83.68129 4.07981 2.29901 -83.62253 815.24655
1650.0000 -86.08167 -82.40333 3.67835 2.34873 -83.07040 828.18829
1655.0000 -87.86490 -83.55252 4.31238 2.35935 -82.95246 850.76110
1660.0000 -87.29126 -83.23136 4.05990 2.30359 -83.57166 843.11112
1665.0000 -87.52559 -83.26150 4.26409 2.40160 -82.48330 891.84294
1670.0000 -86.79095 -83.04165 3.74930 2.32777 -83.30310 831.82226
1675.0000 -87.38407 -83.78191 3.60216 2.26228 -84.03034 783.44096
1680.0000 -87.60680 -83.90076 3.70604 2.27255 -83.91628 774.25108
1685.0000 -87.30194 -83.41405 3.88789 2.32530 -83.33061 831.71530
1690.0000 -87.86293 -83.55625 4.30668 2.31213 -83.47684 831.90572
1695.0000 -87.52962 -83.11616 4.41346 2.32580 -83.32496 859.47749
1700.0000 -87.22604 -83.34776 3.87829 2.35584 -82.99150 854.22858
1705.0000 -86.72813 -82.78227 3.94587 2.37219 -82.80991 864.37775
1710.0000 -87.78404 -84.33906 3.44498 2.29583 -83.65779 819.58492
1715.0000 -88.54077 -85.02020 3.52058 2.27423 -83.89763 809.99599
1720.0000 -87.79823 -84.23002 3.56821 2.23305 -84.35484 780.83167
1725.0000 -87.59535 -84.18307 3.41228 2.26087 -84.04597 784.97244
1730.0000 -87.30280 -83.39136 3.91145 2.29429 -83.67483 818.62331
1735.0000 -87.67519 -83.46656 4.20862 2.32338 -83.35183 784.59589
1740.0000 -86.83561 -82.67249 4.16312 2.34469 -83.11531 899.20463
1745.0000 -87.63343 -83.52104 4.11239 2.34935 -83.06350 860.63625
1750.0000 -86.66347 -83.20324 3.46023 2.32206 -83.36649 837.49316
FREEZING PROCESS: loop number 8 T-loop= 798.00000000000000
main_MD> interactions number 8 at Temperature= 798.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.51524 3.90330 -4.11161
force_rgl> df(natom) 0.39584 0.63477 -1.93945
1755.0000 -85.34400 -81.18004 4.16396 2.44458 -82.00614 921.43203
1760.0000 -87.13623 -82.75466 4.38158 2.39957 -82.50586 902.53462
1765.0000 -87.27100 -83.21616 4.05484 2.38060 -82.71657 891.73229
1770.0000 -88.08821 -83.75096 4.33724 2.27736 -83.86285 772.14749
1775.0000 -87.66488 -83.54288 4.12199 2.32943 -83.28473 840.64321
1780.0000 -88.07763 -84.18457 3.89306 2.26795 -83.96738 787.00437
1785.0000 -88.50250 -84.30929 4.19321 2.26865 -83.95964 820.05172
1790.0000 -87.38979 -83.66116 3.72862 2.29644 -83.65101 821.34559
1795.0000 -87.60107 -84.29718 3.30389 2.27256 -83.91618 811.75585
1800.0000 -87.67221 -83.02703 4.64518 2.31905 -83.39997 792.34156
1805.0000 -88.69303 -85.46223 3.23079 2.27943 -83.83985 782.55187
1810.0000 -87.39942 -84.38756 3.01187 2.19550 -84.77185 709.52363
1815.0000 -88.04245 -84.17849 3.86396 2.22636 -84.42917 746.58789
1820.0000 -87.52819 -82.75993 4.76826 2.30261 -83.58249 801.65727
1825.0000 -87.90201 -83.76061 4.14140 2.35950 -82.95082 860.12143
1830.0000 -88.53997 -84.34205 4.19792 2.31775 -83.41440 836.36492
1835.0000 -86.84770 -83.42313 3.42457 2.28626 -83.76407 805.85726
1840.0000 -87.80953 -84.38808 3.42145 2.26298 -84.02249 813.06171
1845.0000 -87.66439 -84.02759 3.63681 2.22586 -84.43471 779.70849
1850.0000 -87.07063 -83.48618 3.58445 2.32415 -83.34333 866.88331
1855.0000 -87.24033 -82.63142 4.60890 2.36398 -82.90104 867.04566
1860.0000 -87.60789 -84.09471 3.51319 2.30472 -83.55912 824.67258
1865.0000 -86.90853 -83.26815 3.64038 2.28013 -83.83208 783.23101
1870.0000 -87.57470 -83.52866 4.04604 2.38282 -82.69188 933.20549
1875.0000 -87.06570 -83.01435 4.05135 2.34896 -83.06787 911.58371
1880.0000 -86.23379 -82.74329 3.49050 2.37753 -82.75065 924.69587
1885.0000 -86.67645 -82.90292 3.77354 2.36427 -82.89782 871.98828
1890.0000 -87.45001 -83.63606 3.81394 2.31519 -83.44281 818.47183
1895.0000 -87.73621 -84.19674 3.53947 2.32442 -83.34032 812.38628
1900.0000 -87.49907 -83.59640 3.90268 2.24418 -84.23125 789.20602
1905.0000 -87.86481 -83.63078 4.23403 2.33324 -83.24243 885.61560
1910.0000 -88.28478 -84.77364 3.51114 2.25813 -84.07644 793.13726
1915.0000 -87.54764 -83.69664 3.85101 2.21247 -84.58342 753.79388
1920.0000 -86.44456 -82.83828 3.60628 2.35025 -83.05350 883.87143
1925.0000 -87.85514 -83.15225 4.70289 2.36396 -82.90132 842.08943
1930.0000 -86.98284 -82.12933 4.85351 2.39237 -82.58580 901.08328
1935.0000 -86.56252 -81.38788 5.17464 2.43612 -82.10004 944.50874
1940.0000 -87.30426 -83.82118 3.48308 2.44380 -82.01473 983.63852
1945.0000 -88.71381 -85.66248 3.05133 2.19005 -84.83238 740.18516
1950.0000 -88.26426 -84.97393 3.29034 2.15835 -85.18432 693.99576
1955.0000 -88.73610 -84.41444 4.32165 2.14112 -85.37561 721.08861
1960.0000 -87.64617 -83.17057 4.47560 2.27131 -83.93001 800.51830
1965.0000 -86.77771 -83.29598 3.48173 2.35595 -82.99025 848.07500
1970.0000 -88.42385 -84.26522 4.15863 2.24365 -84.23713 753.13185
1975.0000 -85.46243 -81.28082 4.18161 2.46337 -81.79748 931.27776
1980.0000 -87.41286 -83.13436 4.27850 2.44560 -81.99473 912.60153
1985.0000 -88.10014 -83.71125 4.38890 2.31294 -83.46775 866.91328
1990.0000 -87.62586 -83.92682 3.69904 2.27241 -83.91788 749.45835
1995.0000 -87.71503 -84.16996 3.54507 2.28589 -83.76817 790.96956
2000.0000 -87.57515 -83.59292 3.98223 2.25549 -84.10572 747.79701
FREEZING PROCESS: loop number 9 T-loop= 773.00000000000000
main_MD> interactions number 9 at Temperature= 773.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81761 -1.34594 6.48193
force_rgl> df(natom) 0.82141 1.20462 -0.25324
2005.0000 -88.30439 -84.97868 3.32572 2.25103 -84.15521 740.40140
2010.0000 -87.88869 -84.57062 3.31807 2.18305 -84.91009 693.81745
2015.0000 -87.31090 -83.62486 3.68604 2.25704 -84.08848 779.07586
2020.0000 -88.58691 -84.90813 3.67877 2.27677 -83.86946 849.07558
2025.0000 -88.00024 -84.42528 3.57495 2.24528 -84.21911 824.88820
2030.0000 -88.52821 -84.38279 4.14542 2.20542 -84.66167 769.96099
2035.0000 -88.14146 -84.00602 4.13545 2.26096 -84.04498 833.29490
2040.0000 -87.71028 -84.64243 3.06785 2.23599 -84.32218 783.33518
2045.0000 -87.45144 -84.46000 2.99144 2.21881 -84.51303 720.22145
2050.0000 -87.15014 -83.83722 3.31292 2.28394 -83.78980 798.97273
2055.0000 -88.78905 -84.87666 3.91239 2.22444 -84.45045 749.20657
2060.0000 -88.00925 -83.93448 4.07478 2.17250 -85.02724 738.95417
2065.0000 -87.33192 -83.69502 3.63690 2.28438 -83.78490 824.67117
2070.0000 -87.24659 -83.59583 3.65076 2.29239 -83.69599 819.48925
2075.0000 -86.71106 -83.34938 3.36168 2.28370 -83.79242 816.76430
2080.0000 -87.40931 -83.07581 4.33350 2.34847 -83.07324 824.85172
2085.0000 -87.16493 -81.96229 5.20264 2.33258 -83.24973 830.41737
2090.0000 -86.37947 -82.23788 4.14159 2.43992 -82.05786 924.07637
2095.0000 -88.22048 -84.12776 4.09272 2.34881 -83.06948 868.63096
2100.0000 -87.67436 -83.79342 3.88095 2.30431 -83.56363 851.24262
2105.0000 -88.22584 -85.25234 2.97350 2.18262 -84.91486 731.48303
2110.0000 -87.30430 -83.23471 4.06960 2.18775 -84.85792 722.46489
2115.0000 -87.61131 -83.51378 4.09754 2.30756 -83.52759 808.19498
2120.0000 -88.19602 -84.66243 3.53359 2.21316 -84.57568 748.12049
2125.0000 -88.77638 -85.42997 3.34641 2.18984 -84.83468 707.27906
2130.0000 -88.70636 -85.59238 3.11398 2.12681 -85.53450 642.70212
2135.0000 -87.42368 -83.76504 3.65865 2.22618 -84.43116 770.39020
2140.0000 -88.13842 -84.66847 3.46995 2.26587 -83.99043 813.04311
2145.0000 -87.75574 -84.64968 3.10606 2.19482 -84.77932 735.76598
2150.0000 -87.89344 -84.24494 3.64850 2.22395 -84.45598 759.70648
2155.0000 -89.09596 -85.26291 3.83305 2.21849 -84.51651 771.95162
2160.0000 -89.35256 -86.63114 2.72142 2.07243 -86.13839 652.08440
2165.0000 -88.21273 -84.93569 3.27704 2.12735 -85.52856 679.39653
2170.0000 -87.66539 -84.48489 3.18050 2.17988 -84.94524 723.77297
2175.0000 -87.15759 -83.39067 3.76691 2.24238 -84.25133 766.75272
2180.0000 -86.35874 -82.78803 3.57071 2.32270 -83.35941 806.15369
2185.0000 -88.11645 -83.88875 4.22770 2.31614 -83.43230 825.64621
2190.0000 -87.23123 -83.95355 3.27768 2.32995 -83.27889 802.53584
2195.0000 -88.05102 -84.84078 3.21024 2.18376 -84.90223 757.24871
2200.0000 -88.17354 -84.86647 3.30707 2.18607 -84.87649 731.98009
2205.0000 -87.04083 -84.57418 2.46665 2.19108 -84.82092 721.76892
2210.0000 -86.81299 -83.51608 3.29692 2.27147 -83.92822 787.73101
2215.0000 -87.83147 -83.64566 4.18581 2.32822 -83.29810 794.46656
2220.0000 -88.23923 -84.52791 3.71132 2.31027 -83.49747 834.17775
2225.0000 -87.36022 -84.13935 3.22087 2.24377 -84.23588 761.60902
2230.0000 -87.89229 -84.01078 3.88151 2.25969 -84.05906 773.32057
2235.0000 -86.79036 -83.82891 2.96145 2.26126 -84.04162 803.76467
2240.0000 -87.15454 -83.22839 3.92615 2.32911 -83.28822 837.41555
2245.0000 -87.43726 -84.20021 3.23704 2.32332 -83.35253 799.01917
2250.0000 -88.25251 -84.22454 4.02797 2.22009 -84.49873 737.98148
FREEZING PROCESS: loop number 10 T-loop= 748.00000000000000
main_MD> interactions number 10 at Temperature= 748.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.40024 2.73891 -0.07747
force_rgl> df(natom) -0.37158 2.15800 -0.42357
2255.0000 -87.92976 -84.75880 3.17096 2.20968 -84.61439 774.41122
2260.0000 -88.50233 -85.15329 3.34904 2.17933 -84.95141 739.74010
2265.0000 -88.08038 -84.52482 3.55556 2.21470 -84.55861 723.77854
2270.0000 -87.94627 -84.50161 3.44466 2.21204 -84.58815 719.94613
2275.0000 -87.64116 -84.00155 3.63961 2.24188 -84.25681 761.77316
2280.0000 -87.26756 -84.39086 2.87670 2.21926 -84.50803 683.97191
2285.0000 -87.63166 -83.90694 3.72472 2.26298 -84.02254 770.11783
2290.0000 -87.33121 -83.53773 3.79348 2.29802 -83.63349 776.19192
2295.0000 -88.79402 -84.48161 4.31240 2.21838 -84.51779 815.03178
2300.0000 -88.66434 -85.48220 3.18214 2.16427 -85.11855 663.54766
2305.0000 -87.75563 -84.60780 3.14783 2.18991 -84.83388 718.01029
2310.0000 -87.78387 -84.15320 3.63067 2.26715 -83.97629 773.76678
2315.0000 -87.60404 -83.93615 3.66789 2.24397 -84.23361 759.80982
2320.0000 -87.78132 -84.02606 3.75527 2.28188 -83.81269 807.29192
2325.0000 -87.85942 -84.17786 3.68156 2.27775 -83.85858 826.19159
2330.0000 -87.50591 -83.96305 3.54286 2.24365 -84.23715 791.17370
2335.0000 -87.76437 -84.14010 3.62427 2.27897 -83.84503 816.66250
2340.0000 -89.06372 -85.85954 3.20419 2.20290 -84.68961 709.86397
2345.0000 -88.25728 -84.55367 3.70361 2.20942 -84.61727 748.79920
2350.0000 -87.26690 -84.56125 2.70566 2.20914 -84.62040 740.80508
2355.0000 -86.75126 -83.20997 3.54129 2.31261 -83.47141 773.53635
2360.0000 -87.29806 -83.19432 4.10375 2.26960 -83.94899 799.03542
2365.0000 -88.22619 -84.65403 3.57216 2.24173 -84.25850 740.24761
2370.0000 -87.25737 -83.79861 3.45876 2.23608 -84.32124 736.88080
2375.0000 -87.37542 -83.73232 3.64311 2.31455 -83.44992 783.23900
2380.0000 -88.77797 -84.72294 4.05502 2.23426 -84.34148 782.13881
2385.0000 -87.76140 -83.60989 4.15150 2.23003 -84.38843 797.07964
2390.0000 -89.30197 -85.88079 3.42119 2.15604 -85.20996 687.10622
2395.0000 -88.48368 -86.03418 2.44950 2.06642 -86.20503 653.72511
2400.0000 -89.00510 -85.81341 3.19170 2.07171 -86.14634 640.51820
2405.0000 -88.50096 -84.83432 3.66664 2.13252 -85.47114 714.87653
2410.0000 -88.65413 -84.20950 4.44464 2.16379 -85.12387 750.72375
2415.0000 -88.32053 -84.81152 3.50901 2.20237 -84.69558 727.79757
2420.0000 -88.12568 -84.56322 3.56246 2.21184 -84.59039 757.64543
2425.0000 -88.40350 -85.05306 3.35044 2.18977 -84.83547 693.07116
2430.0000 -88.40429 -84.67210 3.73219 2.18741 -84.86165 709.74387
2435.0000 -88.29511 -85.12076 3.17436 2.20311 -84.68728 714.31282
2440.0000 -88.81668 -85.94466 2.87202 2.11201 -85.69882 684.25528
2445.0000 -88.81908 -85.44265 3.37643 2.10405 -85.78720 695.37715
2450.0000 -88.45096 -85.19025 3.26071 2.16980 -85.05724 733.43380
2455.0000 -87.95500 -84.43564 3.51936 2.24281 -84.24655 751.93001
2460.0000 -87.77511 -83.64693 4.12818 2.26331 -84.01893 750.37823
2465.0000 -87.37832 -84.06670 3.31161 2.28492 -83.77892 810.30930
2470.0000 -87.92201 -84.19790 3.72411 2.28926 -83.73069 789.56468
2475.0000 -87.77115 -83.69586 4.07529 2.31416 -83.45424 784.42531
2480.0000 -87.55067 -84.19976 3.35091 2.29355 -83.68316 790.83279
2485.0000 -87.54367 -83.39956 4.14412 2.27541 -83.88449 821.06061
2490.0000 -87.39593 -83.22018 4.17575 2.29095 -83.71192 809.32403
2495.0000 -87.92514 -83.73900 4.18614 2.26527 -83.99714 798.14553
2500.0000 -86.69311 -83.41874 3.27437 2.33235 -83.25225 832.24935
FREEZING PROCESS: loop number 11 T-loop= 723.00000000000000
main_MD> interactions number 11 at Temperature= 723.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11241 -1.10879 -0.27767
force_rgl> df(natom) 0.01903 0.55470 -0.45600
2505.0000 -88.93226 -83.89388 5.03838 2.33516 -83.22110 853.29891
2510.0000 -87.35866 -84.38676 2.97191 2.23294 -84.35609 749.18173
2515.0000 -88.20760 -84.68996 3.51763 2.20635 -84.65130 766.35403
2520.0000 -89.04152 -85.31306 3.72846 2.19925 -84.73016 771.46197
2525.0000 -88.05882 -84.56314 3.49568 2.23291 -84.35649 770.30866
2530.0000 -87.91072 -84.03769 3.87303 2.21160 -84.59308 774.95187
2535.0000 -88.13484 -85.19080 2.94404 2.17690 -84.97839 680.66884
2540.0000 -87.05266 -83.48097 3.57169 2.22366 -84.45916 725.89097
2545.0000 -88.83304 -84.89345 3.93959 2.27903 -83.84430 801.42971
2550.0000 -88.20033 -84.55947 3.64085 2.19231 -84.80722 746.09361
2555.0000 -88.82628 -85.04256 3.78372 2.19274 -84.80247 700.86717
2560.0000 -88.49294 -85.15414 3.33880 2.18492 -84.88927 747.68546
2565.0000 -88.57982 -85.79586 2.78396 2.15507 -85.22075 709.59642
2570.0000 -89.17439 -85.76478 3.40962 2.12972 -85.50223 680.44812
2575.0000 -87.38940 -84.34110 3.04830 2.16618 -85.09733 726.72020
2580.0000 -87.59909 -84.82585 2.77324 2.21443 -84.56158 772.42521
2585.0000 -88.78426 -85.89054 2.89372 2.09523 -85.88515 669.62552
2590.0000 -88.56678 -86.34824 2.21854 2.06232 -86.25059 613.21799
2595.0000 -88.06069 -85.47880 2.58188 2.10477 -85.77928 658.96241
2600.0000 -87.04013 -84.15922 2.88090 2.15468 -85.22505 690.85407
2605.0000 -88.45610 -85.75836 2.69774 2.16317 -85.13080 658.84841
2610.0000 -89.32606 -85.84588 3.48018 2.08054 -86.04828 622.12651
2615.0000 -87.12856 -83.69705 3.43151 2.19753 -84.74929 747.31936
2620.0000 -88.79157 -84.53077 4.26080 2.28233 -83.80765 776.81899
2625.0000 -87.95864 -85.34162 2.61702 2.14659 -85.31486 692.89962
2630.0000 -89.01277 -85.66231 3.35046 2.12813 -85.51992 689.12012
2635.0000 -88.23207 -85.58232 2.64974 2.07423 -86.11838 632.55196
2640.0000 -88.58754 -84.65420 3.93334 2.14921 -85.28585 712.78617
2645.0000 -88.32136 -85.29378 3.02758 2.17237 -85.02863 657.30322
2650.0000 -88.04928 -84.41483 3.63445 2.19636 -84.76226 729.01917
2655.0000 -87.84496 -84.69339 3.15156 2.21132 -84.59614 723.32867
2660.0000 -89.19585 -85.54455 3.65130 2.13306 -85.46516 686.58916
2665.0000 -89.31798 -85.41493 3.90305 2.08823 -85.96292 632.81263
2670.0000 -88.72123 -85.32518 3.39605 2.19085 -84.82348 741.73705
2675.0000 -88.70031 -85.08952 3.61078 2.13101 -85.48790 656.64492
2680.0000 -87.53985 -84.23930 3.30056 2.18830 -84.85177 697.78235
2685.0000 -88.34532 -84.52849 3.81684 2.23033 -84.38509 739.55116
2690.0000 -87.90883 -83.99857 3.91026 2.20468 -84.66988 754.34629
2695.0000 -87.25299 -84.14735 3.10564 2.26154 -84.03851 765.92318
2700.0000 -86.61336 -82.85770 3.75566 2.29513 -83.66554 738.34765
2705.0000 -87.44846 -84.02308 3.42538 2.31306 -83.46645 786.46666
2710.0000 -87.70723 -84.29541 3.41183 2.27372 -83.90326 777.73300
2715.0000 -88.37529 -84.50986 3.86543 2.23254 -84.36054 749.00818
2720.0000 -87.77141 -84.61612 3.15529 2.21325 -84.57470 742.12643
2725.0000 -88.57658 -84.70687 3.86971 2.20228 -84.69658 742.43304
2730.0000 -88.19444 -85.19764 2.99680 2.21750 -84.52748 717.57276
2735.0000 -87.57304 -84.36454 3.20850 2.18567 -84.88097 768.36852
2740.0000 -87.48790 -84.72435 2.76355 2.19879 -84.73527 767.93531
2745.0000 -88.16499 -84.90711 3.25788 2.16918 -85.06412 698.91870
2750.0000 -88.39220 -85.05631 3.33589 2.14662 -85.31456 644.94558
FREEZING PROCESS: loop number 12 T-loop= 698.00000000000000
main_MD> interactions number 12 at Temperature= 698.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.81256 -1.96018 2.06062
force_rgl> df(natom) 1.11750 -0.21979 1.11110
2755.0000 -88.26406 -84.84128 3.42278 2.21321 -84.57521 725.78424
2760.0000 -88.19579 -84.66218 3.53361 2.21793 -84.52275 738.23943
2765.0000 -87.98270 -84.09917 3.88353 2.20293 -84.68932 709.32518
2770.0000 -87.47806 -83.32191 4.15615 2.24290 -84.24556 786.86388
2775.0000 -87.89937 -85.15142 2.74795 2.26521 -83.99774 796.12376
2780.0000 -88.90426 -85.25652 3.64774 2.15033 -85.27338 689.26022
2785.0000 -89.63886 -86.52671 3.11215 2.08595 -85.98821 633.16225
2790.0000 -89.73220 -86.56475 3.16745 2.02610 -86.65276 620.40394
2795.0000 -88.55644 -84.96151 3.59493 2.11709 -85.64251 699.80442
2800.0000 -88.34886 -84.94556 3.40331 2.14692 -85.31126 695.30530
2805.0000 -88.17427 -84.72841 3.44586 2.17937 -84.95092 717.89549
2810.0000 -87.99587 -85.58606 2.40980 2.18120 -84.93062 728.38174
2815.0000 -89.32174 -86.40350 2.91824 2.07338 -86.12783 641.23580
2820.0000 -89.12578 -86.03040 3.09538 2.05684 -86.31142 603.85494
2825.0000 -88.30265 -85.10082 3.20183 2.15504 -85.22110 668.94638
2830.0000 -87.37049 -84.77493 2.59555 2.18156 -84.92663 662.09138
2835.0000 -86.78684 -83.52094 3.26590 2.26486 -84.00168 750.19118
2840.0000 -89.01197 -85.63113 3.38084 2.19105 -84.82125 715.94264
2845.0000 -88.96137 -86.15328 2.80809 2.12222 -85.58545 642.22260
2850.0000 -87.87780 -85.04661 2.83118 2.13722 -85.41893 689.98976
2855.0000 -88.31255 -83.84218 4.47037 2.21893 -84.51170 744.72864
2860.0000 -88.74833 -85.09729 3.65103 2.25508 -84.11029 751.45753
2865.0000 -89.34563 -85.99193 3.35370 2.13162 -85.48110 657.16599
2870.0000 -89.28667 -85.98215 3.30452 2.04855 -86.40348 603.87757
2875.0000 -87.96501 -84.69084 3.27417 2.19564 -84.77030 722.32878
2880.0000 -88.84424 -85.70271 3.14153 2.17685 -84.97890 739.26130
2885.0000 -88.78262 -84.95275 3.82987 2.16669 -85.09171 722.71546
2890.0000 -88.66457 -85.50547 3.15910 2.13064 -85.49200 683.18767
2895.0000 -88.92701 -85.12673 3.80028 2.13128 -85.48487 704.19986
2900.0000 -88.15853 -85.04985 3.10868 2.16295 -85.13330 698.55495
2905.0000 -89.02746 -84.96480 4.06266 2.18307 -84.90989 750.63659
2910.0000 -88.79372 -85.65224 3.14147 2.16053 -85.16016 652.26071
2915.0000 -87.54127 -83.49462 4.04665 2.20216 -84.69790 705.67001
2920.0000 -89.01105 -85.07061 3.94044 2.19684 -84.75693 700.23534
2925.0000 -89.83772 -86.19973 3.63799 2.06710 -86.19757 604.34153
2930.0000 -88.67068 -85.72385 2.94683 2.11910 -85.62010 675.54764
2935.0000 -88.39367 -85.65409 2.73958 2.15001 -85.27689 692.69246
2940.0000 -88.58026 -85.29317 3.28709 2.13909 -85.39823 696.67880
2945.0000 -89.18330 -85.55498 3.62832 2.12573 -85.54657 682.65810
2950.0000 -89.08543 -85.46947 3.61596 2.13848 -85.40497 674.42760
2955.0000 -88.45250 -84.65983 3.79268 2.19599 -84.76636 727.22213
2960.0000 -88.43662 -85.03535 3.40127 2.19934 -84.72920 704.72962
2965.0000 -88.26736 -84.55729 3.71007 2.18930 -84.84067 717.90407
2970.0000 -88.82783 -85.46972 3.35811 2.18246 -84.91665 692.24125
2975.0000 -88.91439 -85.19257 3.72182 2.17510 -84.99829 710.48833
2980.0000 -88.72534 -85.79747 2.92787 2.12386 -85.56732 671.08543
2985.0000 -88.70887 -85.26883 3.44004 2.14342 -85.35007 665.41780
2990.0000 -88.02161 -84.51100 3.51062 2.20984 -84.61257 764.80474
2995.0000 -88.33873 -85.39956 2.93917 2.24552 -84.21641 752.40409
3000.0000 -88.48473 -85.33862 3.14611 2.16431 -85.11812 694.72178
FREEZING PROCESS: loop number 13 T-loop= 673.00000000000000
main_MD> interactions number 13 at Temperature= 673.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44760 4.58059 1.51503
force_rgl> df(natom) 2.95456 -1.77358 -3.17774
3005.0000 -88.94700 -85.43875 3.50824 2.11609 -85.65359 676.03700
3010.0000 -88.94602 -85.25713 3.68889 2.18472 -84.89156 739.42002
3015.0000 -88.20652 -85.52687 2.67965 2.12041 -85.60559 636.80812
3020.0000 -89.50224 -85.44622 4.05602 2.12437 -85.56167 676.81941
3025.0000 -88.85706 -86.16397 2.69309 2.09928 -85.84022 654.39303
3030.0000 -88.99161 -86.30539 2.68622 2.06184 -86.25591 629.06346
3035.0000 -89.66792 -86.44879 3.21912 2.05989 -86.27758 591.35049
3040.0000 -89.23665 -85.72567 3.51097 2.13500 -85.44361 696.56294
3045.0000 -87.72794 -83.77002 3.95792 2.20907 -84.62116 720.34677
3050.0000 -88.31506 -83.90428 4.41078 2.28363 -83.79320 814.41414
3055.0000 -88.25335 -85.45606 2.79729 2.16366 -85.12531 692.96358
3060.0000 -88.51493 -85.49290 3.02204 2.17744 -84.97239 701.18218
3065.0000 -88.07825 -84.73027 3.34798 2.17892 -84.95588 718.46582
3070.0000 -88.69982 -85.56393 3.13589 2.14489 -85.33375 695.63721
3075.0000 -88.74630 -85.50179 3.24451 2.14890 -85.28929 690.23907
3080.0000 -89.10428 -85.84258 3.26170 2.07960 -86.05872 633.26826
3085.0000 -88.90488 -85.24519 3.65969 2.13964 -85.39213 703.24842
3090.0000 -88.72137 -84.86136 3.86001 2.22225 -84.47484 725.54753
3095.0000 -88.66572 -85.63392 3.03180 2.15815 -85.18655 698.15158
3100.0000 -89.03909 -85.84695 3.19214 2.10598 -85.76587 656.91257
3105.0000 -88.81300 -85.69739 3.11562 2.07468 -86.11334 630.46404
3110.0000 -89.03322 -85.32638 3.70683 2.12963 -85.50327 698.53912
3115.0000 -87.21446 -84.16347 3.05099 2.19489 -84.77862 747.24887
3120.0000 -87.86328 -84.18942 3.67386 2.21610 -84.54309 700.06774
3125.0000 -88.40148 -85.40137 3.00012 2.17569 -84.99177 667.18001
3130.0000 -88.51200 -85.79329 2.71871 2.12828 -85.51826 634.03523
3135.0000 -89.08316 -86.86563 2.21753 2.06773 -86.19059 604.04418
3140.0000 -89.53996 -86.26939 3.27057 2.06558 -86.21438 621.95253
3145.0000 -89.29255 -86.25072 3.04183 2.02666 -86.64654 583.57980
3150.0000 -89.19313 -85.69144 3.50169 2.12226 -85.58500 682.63562
3155.0000 -88.15033 -84.63743 3.51290 2.16046 -85.16085 689.73998
3160.0000 -88.56628 -85.20121 3.36508 2.17012 -85.05365 687.75011
3165.0000 -88.96540 -85.41941 3.54599 2.17862 -84.95929 704.37014
3170.0000 -87.82934 -84.56580 3.26354 2.18778 -84.85756 709.20544
3175.0000 -89.86366 -86.38382 3.47984 2.11515 -85.66396 702.96574
3180.0000 -88.83488 -85.99118 2.84370 2.07743 -86.08287 629.60172
3185.0000 -89.38386 -86.71925 2.66461 2.11252 -85.69320 652.58077
3190.0000 -89.44627 -86.54054 2.90573 2.03832 -86.51715 610.01210
3195.0000 -87.48011 -84.75800 2.72212 2.13914 -85.39767 694.36044
3200.0000 -88.78806 -84.94487 3.84319 2.17000 -85.05493 727.21673
3205.0000 -89.27601 -85.61517 3.66084 2.13560 -85.43695 659.58902
3210.0000 -89.90924 -86.24618 3.66306 2.09214 -85.91948 623.42786
3215.0000 -88.36471 -85.37617 2.98853 2.04792 -86.41047 595.79267
3220.0000 -88.51894 -86.66949 1.84945 2.07780 -86.07877 597.90378
3225.0000 -89.53545 -85.90709 3.62836 2.09365 -85.90269 631.47678
3230.0000 -87.99567 -84.91800 3.07766 2.15487 -85.22301 696.85525
3235.0000 -88.48036 -84.66961 3.81075 2.17156 -85.03768 705.63769
3240.0000 -89.42644 -85.60902 3.81741 2.13010 -85.49801 658.90977
3245.0000 -89.10475 -85.59163 3.51312 2.12633 -85.53983 688.20562
3250.0000 -88.95636 -86.34006 2.61629 2.10321 -85.79657 672.30660
FREEZING PROCESS: loop number 14 T-loop= 648.00000000000000
main_MD> interactions number 14 at Temperature= 648.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19365 -1.33912 1.21219
force_rgl> df(natom) -0.30728 -2.70147 0.08882
3255.0000 -90.06694 -86.29093 3.77601 2.10419 -85.78574 662.80960
3260.0000 -89.54240 -86.37439 3.16801 2.04689 -86.42194 632.46548
3265.0000 -89.74506 -86.16502 3.58003 2.03301 -86.57604 623.71909
3270.0000 -89.53162 -86.07970 3.45192 2.02822 -86.62925 593.82478
3275.0000 -89.43751 -86.79424 2.64327 2.10247 -85.80480 670.09597
3280.0000 -89.94465 -87.49556 2.44909 1.97678 -87.20043 535.06893
3285.0000 -89.08026 -86.37322 2.70704 2.00598 -86.87615 555.68281
3290.0000 -90.05173 -86.90487 3.14686 2.05827 -86.29561 635.77318
3295.0000 -89.37618 -86.35616 3.02002 2.01686 -86.75540 588.00620
3300.0000 -88.83159 -85.73181 3.09978 2.08791 -85.96652 631.30570
3305.0000 -89.18442 -86.68696 2.49746 2.07884 -86.06714 624.99217
3310.0000 -89.18375 -86.28929 2.89445 2.04607 -86.43103 583.83214
3315.0000 -88.85261 -85.62397 3.22864 2.06193 -86.25495 630.43584
3320.0000 -88.93497 -85.71546 3.21951 2.10485 -85.77837 650.15896
3325.0000 -88.76079 -85.93320 2.82759 2.09881 -85.84540 638.73905
3330.0000 -89.42053 -86.50643 2.91410 2.05633 -86.31715 589.05802
3335.0000 -88.51807 -86.33381 2.18426 2.07213 -86.14166 611.43319
3340.0000 -87.84347 -84.65467 3.18880 2.14050 -85.38256 717.85555
3345.0000 -89.42096 -86.38864 3.03232 2.13153 -85.48213 711.03481
3350.0000 -89.10198 -85.37890 3.72308 2.07314 -86.13044 644.11667
3355.0000 -88.43283 -85.73377 2.69906 2.15948 -85.17172 724.53807
3360.0000 -89.47533 -86.77990 2.69543 2.05456 -86.33679 614.41998
3365.0000 -89.37006 -86.03040 3.33966 2.02619 -86.65183 598.44263
3370.0000 -89.84347 -86.50281 3.34067 2.08122 -86.04071 639.48284
3375.0000 -88.35264 -85.30573 3.04690 2.12675 -85.53522 687.72724
3380.0000 -89.37086 -86.30722 3.06364 2.04806 -86.40897 631.49788
3385.0000 -89.95722 -86.42440 3.53282 2.05664 -86.31367 629.84708
3390.0000 -89.66778 -86.72709 2.94069 2.05698 -86.30991 651.16198
3395.0000 -89.49706 -86.43381 3.06326 2.03719 -86.52961 595.06311
3400.0000 -88.84145 -85.39242 3.44903 2.11281 -85.68996 673.25390
3405.0000 -88.69751 -85.29315 3.40436 2.13343 -85.46102 685.95945
3410.0000 -88.94327 -85.25134 3.69193 2.15350 -85.23818 719.74914
3415.0000 -88.48220 -85.28808 3.19411 2.12473 -85.55761 680.31634
3420.0000 -88.92933 -86.07288 2.85644 2.13315 -85.46418 672.22352
3425.0000 -89.31568 -86.51890 2.79678 2.04630 -86.42849 584.24147
3430.0000 -89.21789 -86.67909 2.53881 2.02986 -86.61109 582.25654
3435.0000 -89.66744 -86.85284 2.81461 2.01868 -86.73520 560.90549
3440.0000 -89.46582 -86.30201 3.16381 2.07130 -86.15096 599.76018
3445.0000 -88.56927 -86.01550 2.55376 2.07315 -86.13039 632.71332
3450.0000 -89.72423 -86.88407 2.84015 2.05263 -86.35819 601.44763
3455.0000 -88.68172 -85.76321 2.91851 2.04844 -86.40474 617.22981
3460.0000 -88.98422 -85.93768 3.04654 2.08528 -85.99569 607.10720
3465.0000 -89.49681 -86.73896 2.75785 2.06945 -86.17145 659.09588
3470.0000 -89.04702 -86.10632 2.94070 2.09251 -85.91544 633.52167
3475.0000 -88.14835 -84.87743 3.27091 2.14251 -85.36024 672.42373
3480.0000 -88.97812 -85.72457 3.25355 2.12216 -85.58621 660.92395
3485.0000 -89.28615 -85.29892 3.98723 2.13462 -85.44783 711.94329
3490.0000 -88.03459 -85.13244 2.90215 2.13404 -85.45426 703.77406
3495.0000 -88.26943 -85.15880 3.11063 2.14500 -85.33254 676.97053
3500.0000 -89.27800 -86.04101 3.23700 2.12383 -85.56764 679.62908
FREEZING PROCESS: loop number 15 T-loop= 623.00000000000000
main_MD> interactions number 15 at Temperature= 623.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72555 3.28544 -0.83620
force_rgl> df(natom) -1.25162 -2.49553 2.71040
3505.0000 -88.54921 -85.31847 3.23074 2.12673 -85.53545 628.46506
3510.0000 -87.86584 -85.21845 2.64739 2.20174 -84.70248 731.98643
3515.0000 -87.96392 -84.92465 3.03927 2.16305 -85.13215 689.34936
3520.0000 -89.47385 -86.56010 2.91374 2.04811 -86.40844 586.03975
3525.0000 -89.48775 -86.77247 2.71527 2.02470 -86.66836 601.49629
3530.0000 -89.39627 -86.52845 2.86782 2.04434 -86.45027 627.39986
3535.0000 -89.66865 -86.81546 2.85320 2.04581 -86.43397 599.03763
3540.0000 -88.38563 -85.54325 2.84238 2.06387 -86.23341 640.41010
3545.0000 -89.21738 -86.50228 2.71510 2.09488 -85.88904 637.17102
3550.0000 -88.63133 -85.84868 2.78265 2.07037 -86.16126 645.16400
3555.0000 -89.75823 -86.80901 2.94922 2.09431 -85.89536 665.42559
3560.0000 -88.43955 -85.53851 2.90103 2.05865 -86.29136 628.06134
3565.0000 -89.22621 -86.13743 3.08878 2.07307 -86.13125 640.41137
3570.0000 -88.88256 -85.97875 2.90381 2.04928 -86.39538 617.71003
3575.0000 -89.39474 -85.88218 3.51255 2.08808 -85.96462 648.95222
3580.0000 -88.95009 -85.49965 3.45043 2.09851 -85.84872 633.70138
3585.0000 -89.16044 -86.54997 2.61047 2.06055 -86.27029 620.91834
3590.0000 -88.85192 -85.90323 2.94869 2.06899 -86.17656 630.03786
3595.0000 -89.53518 -86.07057 3.46461 2.08708 -85.97565 662.56951
3600.0000 -89.34952 -86.79550 2.55402 2.06137 -86.26112 634.83323
3605.0000 -89.57608 -86.59785 2.97823 2.04469 -86.44634 575.02442
3610.0000 -89.32089 -87.12713 2.19376 2.01768 -86.74634 592.15337
3615.0000 -90.01707 -87.91581 2.10126 1.95144 -87.48182 523.10379
3620.0000 -89.41508 -86.47920 2.93588 1.98080 -87.15575 555.01431
3625.0000 -90.27346 -87.10840 3.16506 2.03131 -86.59489 627.63944
3630.0000 -88.67049 -86.15677 2.51372 2.02797 -86.63207 596.94548
3635.0000 -89.95468 -87.34468 2.61000 2.02452 -86.67029 558.54039
3640.0000 -89.25298 -86.44575 2.80724 2.02104 -86.70900 586.83397
3645.0000 -88.52138 -86.05542 2.46596 2.11675 -85.64626 647.01006
3650.0000 -88.51827 -85.67476 2.84350 2.10627 -85.76263 620.55231
3655.0000 -89.23306 -86.34817 2.88490 2.12954 -85.50426 663.46996
3660.0000 -90.51175 -87.84506 2.66669 1.96762 -87.30217 554.63722
3665.0000 -89.64370 -87.04807 2.59562 1.94723 -87.52855 542.10764
3670.0000 -89.95536 -87.28435 2.67102 2.00037 -86.93851 573.73703
3675.0000 -89.10747 -86.13828 2.96919 1.98537 -87.10505 549.38751
3680.0000 -89.09048 -86.73979 2.35069 2.04237 -86.47217 602.53156
3685.0000 -89.42067 -86.97852 2.44215 1.98979 -87.05592 537.46175
3690.0000 -89.41232 -86.76682 2.64550 2.00045 -86.93756 556.66034
3695.0000 -88.75303 -86.30546 2.44758 2.05514 -86.33030 638.61152
3700.0000 -88.61415 -85.74468 2.86947 2.09917 -85.84149 659.17713
3705.0000 -88.85757 -86.07886 2.77871 2.07929 -86.06221 630.28130
3710.0000 -89.12210 -85.94796 3.17414 2.09825 -85.85161 591.80187
3715.0000 -89.11405 -86.10476 3.00929 2.06447 -86.22679 602.77481
3720.0000 -88.46143 -85.99909 2.46234 2.04907 -86.39774 549.11676
3725.0000 -89.68182 -86.67382 3.00800 2.06938 -86.17220 618.87162
3730.0000 -89.55680 -86.69344 2.86336 1.99499 -86.99823 550.07333
3735.0000 -89.99251 -87.12204 2.87047 2.00869 -86.84606 593.49273
3740.0000 -90.08045 -87.15453 2.92592 1.98695 -87.08755 572.50413
3745.0000 -89.42549 -86.45914 2.96635 2.00847 -86.84852 586.94025
3750.0000 -90.25600 -87.07686 3.17914 2.00044 -86.93766 577.52976
FREEZING PROCESS: loop number 16 T-loop= 598.00000000000000
main_MD> interactions number 16 at Temperature= 598.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59882 0.35876 -1.43654
force_rgl> df(natom) -0.26643 1.33484 3.03831
3755.0000 -89.64856 -86.54170 3.10687 2.01096 -86.82094 590.05243
3760.0000 -89.95163 -87.49742 2.45420 1.98413 -87.11882 560.16202
3765.0000 -89.37822 -86.79324 2.58499 1.96868 -87.29038 545.48971
3770.0000 -88.29943 -84.81659 3.48283 2.06997 -86.16568 629.50419
3775.0000 -88.80839 -84.84971 3.95868 2.21117 -84.59784 754.64044
3780.0000 -89.40476 -86.32718 3.07758 2.09467 -85.89141 654.32017
3785.0000 -88.24799 -85.51389 2.73411 2.07963 -86.05839 632.45426
3790.0000 -88.34800 -85.84952 2.49848 2.08500 -85.99883 628.14654
3795.0000 -88.92154 -86.00574 2.91580 2.06196 -86.25457 643.61788
3800.0000 -89.32592 -86.50005 2.82587 2.06801 -86.18741 643.66990
3805.0000 -89.21627 -85.93718 3.27909 2.05245 -86.36016 592.71168
3810.0000 -89.60973 -87.08406 2.52567 2.02784 -86.63344 617.27404
3815.0000 -89.45236 -86.28381 3.16855 2.00329 -86.90608 597.48126
3820.0000 -89.94093 -86.89963 3.04130 2.05634 -86.31701 636.13926
3825.0000 -89.86570 -87.47358 2.39212 1.97695 -87.19859 562.41833
3830.0000 -90.00814 -86.86769 3.14045 1.99539 -86.99377 604.20714
3835.0000 -89.38227 -86.08224 3.30003 2.05748 -86.30438 649.30995
3840.0000 -89.28823 -86.25683 3.03141 2.11321 -85.68551 671.45239
3845.0000 -89.48351 -86.57110 2.91241 2.05979 -86.27868 628.39724
3850.0000 -89.66796 -87.02257 2.64539 1.99233 -87.02773 556.12998
3855.0000 -89.58722 -86.72877 2.85845 1.97492 -87.22106 540.10182
3860.0000 -89.56859 -87.17055 2.39804 2.01101 -86.82038 586.63116
3865.0000 -89.31520 -85.92069 3.39450 2.03176 -86.58993 608.28523
3870.0000 -89.46698 -86.33760 3.12938 2.05949 -86.28205 646.89333
3875.0000 -88.81062 -86.53153 2.27909 2.03717 -86.52986 564.04837
3880.0000 -89.16756 -86.55458 2.61298 2.04049 -86.49305 585.10838
3885.0000 -88.16509 -84.68834 3.47675 2.06195 -86.25470 599.25905
3890.0000 -89.89469 -86.20206 3.69263 2.11028 -85.71806 639.14456
3895.0000 -90.20972 -87.30394 2.90579 2.01950 -86.72604 600.78717
3900.0000 -89.82467 -87.19221 2.63245 1.97946 -87.17071 555.10874
3905.0000 -90.28406 -87.25143 3.03263 1.97246 -87.24837 560.57017
3910.0000 -89.13321 -86.91158 2.22162 1.99302 -87.02006 564.42028
3915.0000 -89.20118 -86.35983 2.84135 2.02046 -86.71537 585.42033
3920.0000 -89.67810 -86.60494 3.07316 2.07082 -86.15621 635.66124
3925.0000 -88.97565 -86.24146 2.73418 2.05971 -86.27958 632.39206
3930.0000 -89.91731 -86.57554 3.34177 2.08518 -85.99679 675.87531
3935.0000 -88.89669 -86.09387 2.80282 2.04746 -86.41566 591.77856
3940.0000 -89.04281 -87.00780 2.03502 2.06553 -86.21495 618.03491
3945.0000 -90.39324 -87.59459 2.79865 1.96329 -87.35022 546.00734
3950.0000 -90.21303 -87.28386 2.92917 1.96227 -87.36156 530.15751
3955.0000 -90.59084 -87.70829 2.88255 1.95199 -87.47569 526.95431
3960.0000 -89.87388 -87.27424 2.59964 1.93455 -87.66935 509.45383
3965.0000 -90.37852 -87.80279 2.57573 1.95373 -87.45633 526.29266
3970.0000 -89.49689 -87.14006 2.35683 1.98947 -87.05948 567.28256
3975.0000 -89.45606 -86.68711 2.76894 1.97679 -87.20034 563.87253
3980.0000 -89.72956 -86.95482 2.77474 1.99847 -86.95954 555.36771
3985.0000 -90.22610 -87.61757 2.60853 1.94538 -87.54906 509.52856
3990.0000 -89.44379 -86.94134 2.50245 1.95998 -87.38696 558.75934
3995.0000 -89.22847 -85.34653 3.88194 2.04097 -86.48766 639.35911
4000.0000 -89.24861 -86.31670 2.93191 2.07820 -86.07430 635.57712
FREEZING PROCESS: loop number 17 T-loop= 573.00000000000000
main_MD> interactions number 17 at Temperature= 573.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20348 0.83916 1.05456
force_rgl> df(natom) 5.21338 -1.44709 -5.74218
4005.0000 -88.43539 -85.74985 2.68554 2.07773 -86.07954 634.85915
4010.0000 -89.48684 -86.43438 3.05245 2.04678 -86.42318 598.64555
4015.0000 -90.39147 -87.64708 2.74439 2.00538 -86.88291 596.27869
4020.0000 -90.64279 -87.48964 3.15314 1.94841 -87.51544 528.90232
4025.0000 -90.19366 -87.08854 3.10511 1.99152 -87.03675 579.08831
4030.0000 -90.05978 -87.36479 2.69499 1.98900 -87.06470 566.68981
4035.0000 -90.37450 -87.69118 2.68333 1.91611 -87.87414 507.17631
4040.0000 -89.92676 -87.50051 2.42625 1.96012 -87.38546 546.69108
4045.0000 -90.40954 -87.86169 2.54784 1.93612 -87.65190 520.13341
4050.0000 -90.17133 -87.41730 2.75403 1.93018 -87.71785 530.98858
4055.0000 -90.16899 -87.59087 2.57812 1.92496 -87.77576 531.41528
4060.0000 -89.65954 -87.01571 2.64383 1.95948 -87.39252 531.16245
4065.0000 -90.36022 -88.43690 1.92331 1.93037 -87.71570 513.63046
4070.0000 -90.76177 -88.35860 2.40316 1.88096 -88.26442 461.90361
4075.0000 -90.67524 -87.86834 2.80690 1.91791 -87.85410 502.45679
4080.0000 -90.75678 -88.42825 2.32853 1.86235 -88.47100 469.67364
4085.0000 -89.32067 -86.56370 2.75697 1.92734 -87.74934 520.71713
4090.0000 -89.26944 -86.70458 2.56485 2.01868 -86.73513 569.42600
4095.0000 -89.02882 -85.90976 3.11906 2.02582 -86.65592 583.02857
4100.0000 -88.49169 -86.00492 2.48677 2.12888 -85.51155 680.00488
4105.0000 -88.01060 -85.30750 2.70310 2.11870 -85.62460 660.44919
4110.0000 -88.70063 -86.07526 2.62537 2.09673 -85.86850 639.53169
4115.0000 -89.29437 -85.91097 3.38340 2.09920 -85.84108 633.04185
4120.0000 -89.13091 -85.98941 3.14149 2.09237 -85.91700 659.76172
4125.0000 -88.73571 -86.25416 2.48155 2.07275 -86.13478 634.90697
4130.0000 -89.04375 -86.35124 2.69251 2.06600 -86.20979 600.01758
4135.0000 -89.43048 -85.92018 3.51030 2.04785 -86.41134 585.93300
4140.0000 -89.22119 -86.88133 2.33986 2.05248 -86.35983 607.80486
4145.0000 -89.48129 -87.00026 2.48103 1.99071 -87.04579 544.15197
4150.0000 -88.36005 -86.14414 2.21590 2.07902 -86.06516 609.29851
4155.0000 -89.55617 -87.15408 2.40209 2.02393 -86.67683 585.51268
4160.0000 -89.63066 -86.94222 2.68844 2.01366 -86.79094 543.87167
4165.0000 -89.63155 -86.71167 2.91988 2.01724 -86.75117 562.25479
4170.0000 -89.94812 -87.67360 2.27452 1.99302 -87.02010 547.36380
4175.0000 -89.86930 -87.57956 2.28974 1.92728 -87.75007 483.47195
4180.0000 -89.57205 -86.80600 2.76606 2.00662 -86.86910 565.63148
4185.0000 -89.84856 -86.61567 3.23289 1.98368 -87.12384 512.10264
4190.0000 -89.78028 -87.32963 2.45065 2.00370 -86.90150 570.65967
4195.0000 -90.08172 -87.80457 2.27715 1.92856 -87.73590 501.10850
4200.0000 -90.05732 -87.75143 2.30589 1.91128 -87.92769 480.21933
4205.0000 -89.01869 -86.28585 2.73284 2.01496 -86.77645 571.76259
4210.0000 -89.48758 -86.40685 3.08073 2.02134 -86.70567 590.23513
4215.0000 -89.43499 -86.97972 2.45527 2.00410 -86.89705 560.83148
4220.0000 -89.26972 -87.21884 2.05088 1.99621 -86.98466 561.54886
4225.0000 -90.29999 -87.67335 2.62664 1.97315 -87.24076 563.91195
4230.0000 -90.06822 -87.40008 2.66813 1.98360 -87.12468 570.30197
4235.0000 -89.67877 -86.30861 3.37015 1.99385 -87.01085 576.61229
4240.0000 -89.84818 -87.14059 2.70759 2.00968 -86.83510 579.58167
4245.0000 -88.87967 -85.92978 2.94989 2.01216 -86.80752 571.30774
4250.0000 -89.38560 -86.64411 2.74149 2.08140 -86.03873 636.00729
FREEZING PROCESS: loop number 18 T-loop= 548.00000000000000
main_MD> interactions number 18 at Temperature= 548.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57046 -0.34270 -1.39165
force_rgl> df(natom) -0.33111 -2.21550 0.02245
4255.0000 -89.84401 -87.09880 2.74521 2.02291 -86.68818 619.59252
4260.0000 -89.45519 -86.38410 3.07109 1.97872 -87.17887 560.55607
4265.0000 -89.59239 -86.99291 2.59948 2.04192 -86.47718 611.66348
4270.0000 -89.78953 -87.55566 2.23388 1.99744 -86.97102 539.70275
4275.0000 -90.91724 -88.05402 2.86322 1.91005 -87.94135 466.20847
4280.0000 -89.84208 -87.41327 2.42881 1.92242 -87.80404 484.46272
4285.0000 -90.40317 -87.72268 2.68049 1.94953 -87.50301 522.85898
4290.0000 -90.31025 -87.87075 2.43950 1.93510 -87.66320 517.05645
4295.0000 -90.54375 -87.88320 2.66055 1.94601 -87.54212 526.34713
4300.0000 -90.58570 -88.43874 2.14696 1.88650 -88.20285 474.74202
4305.0000 -90.57534 -87.93975 2.63559 1.89066 -88.15668 480.91714
4310.0000 -90.14676 -87.58129 2.56547 1.93577 -87.65575 517.55562
4315.0000 -89.87573 -87.64951 2.22622 1.95394 -87.45398 521.20553
4320.0000 -89.62241 -86.57670 3.04571 1.99921 -86.95133 542.74764
4325.0000 -89.36806 -86.81075 2.55731 2.00641 -86.87147 552.57044
4330.0000 -88.99787 -86.10365 2.89422 2.04597 -86.43213 627.60068
4335.0000 -89.80967 -87.34484 2.46483 2.00917 -86.84080 547.57076
4340.0000 -89.96838 -87.41495 2.55343 1.97820 -87.18464 539.92672
4345.0000 -90.18729 -87.86015 2.32714 1.93176 -87.70034 504.54281
4350.0000 -90.43493 -87.41827 3.01666 1.94133 -87.59404 503.04969
4355.0000 -89.27813 -86.31092 2.96722 2.02061 -86.71379 573.90397
4360.0000 -89.73047 -87.22593 2.50454 2.01212 -86.80801 564.46480
4365.0000 -89.76676 -87.13262 2.63414 2.01345 -86.79326 581.59215
4370.0000 -90.03635 -87.97631 2.06004 1.93649 -87.64778 511.07239
4375.0000 -90.55701 -87.08708 3.46993 1.93223 -87.69515 509.21613
4380.0000 -89.84784 -87.14201 2.70583 1.96475 -87.33397 536.47996
4385.0000 -90.41688 -88.17824 2.23864 1.95384 -87.45515 554.28378
4390.0000 -90.09413 -88.11788 1.97624 1.91085 -87.93251 513.74491
4395.0000 -90.59757 -88.29679 2.30078 1.88445 -88.22568 481.07998
4400.0000 -90.32383 -87.78233 2.54150 1.92282 -87.79956 527.91848
4405.0000 -90.00496 -87.43839 2.56657 1.92428 -87.78338 502.23083
4410.0000 -90.61947 -87.93015 2.68933 1.94993 -87.49851 541.43830
4415.0000 -89.74795 -87.36686 2.38109 1.91415 -87.89583 492.13147
4420.0000 -89.95624 -87.58229 2.37395 2.01046 -86.82645 589.17644
4425.0000 -90.04347 -87.36101 2.68246 2.00022 -86.94010 559.85286
4430.0000 -89.73838 -87.62207 2.11631 1.94176 -87.58929 502.31207
4435.0000 -89.98372 -87.54307 2.44065 1.96177 -87.36703 523.40927
4440.0000 -89.76679 -87.01161 2.75518 1.99755 -86.96984 569.25031
4445.0000 -89.96463 -87.46949 2.49514 1.98664 -87.09093 530.28650
4450.0000 -90.14361 -87.89091 2.25270 1.97188 -87.25485 543.77228
4455.0000 -90.59532 -88.28585 2.30947 1.90885 -87.95475 501.57149
4460.0000 -90.48118 -88.57220 1.90898 1.89292 -88.13158 448.24645
4465.0000 -89.66391 -86.67349 2.99042 1.93892 -87.62085 515.87559
4470.0000 -89.86076 -87.44616 2.41460 1.95857 -87.40266 544.43496
4475.0000 -90.06152 -87.33216 2.72936 1.92885 -87.73263 516.81880
4480.0000 -89.55505 -87.28924 2.26580 1.95823 -87.40636 550.76532
4485.0000 -90.78479 -88.47470 2.31009 1.90852 -87.95837 501.54198
4490.0000 -89.73254 -87.34851 2.38403 1.94006 -87.60812 534.75749
4495.0000 -89.70261 -86.94261 2.76000 1.98795 -87.07643 577.65110
4500.0000 -89.83068 -86.68486 3.14582 2.03791 -86.52160 597.96694
FREEZING PROCESS: loop number 19 T-loop= 523.00000000000000
main_MD> interactions number 19 at Temperature= 523.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53195 -0.06751 -0.95243
force_rgl> df(natom) -1.52712 -1.64561 -0.49576
4505.0000 -89.47357 -87.20419 2.26938 1.99574 -86.98986 553.57052
4510.0000 -90.01016 -87.50538 2.50478 1.96014 -87.38517 544.40669
4515.0000 -89.75337 -87.45514 2.29823 1.95658 -87.42467 512.31485
4520.0000 -89.36119 -86.50295 2.85824 1.97961 -87.16900 544.13173
4525.0000 -89.53480 -87.22812 2.30667 2.02089 -86.71066 605.14698
4530.0000 -90.04005 -87.05389 2.98616 1.95119 -87.48461 538.83148
4535.0000 -90.37130 -87.97632 2.39498 1.96795 -87.29842 551.43795
4540.0000 -88.98281 -86.79891 2.18390 1.93305 -87.68597 508.71387
4545.0000 -90.15162 -87.20031 2.95131 1.97093 -87.26537 544.44604
4550.0000 -90.15564 -87.97552 2.18012 1.95093 -87.48749 546.36703
4555.0000 -90.33155 -87.96235 2.36920 1.90700 -87.97526 486.43587
4560.0000 -90.16018 -88.27165 1.88853 1.88679 -88.19968 466.64237
4565.0000 -90.23721 -87.80740 2.42981 1.90906 -87.95241 491.50635
4570.0000 -90.82169 -88.51244 2.30925 1.87916 -88.28442 452.43917
4575.0000 -90.14267 -88.48956 1.65310 1.86181 -88.47699 445.73629
4580.0000 -89.68585 -86.77670 2.90915 1.94701 -87.53103 509.13329
4585.0000 -90.30412 -87.68736 2.61676 1.97540 -87.21571 547.78489
4590.0000 -90.12257 -87.54336 2.57921 1.90559 -87.99093 496.38183
4595.0000 -90.13412 -87.78371 2.35041 1.93944 -87.61502 526.08884
4600.0000 -90.27334 -87.96824 2.30510 1.91500 -87.88637 475.70735
4605.0000 -89.85536 -87.66479 2.19057 1.91067 -87.93450 488.89311
4610.0000 -90.23244 -88.32170 1.91074 1.90557 -87.99112 478.60846
4615.0000 -89.81597 -87.63130 2.18467 1.89438 -88.11534 444.99891
4620.0000 -90.33990 -88.06107 2.27883 1.90974 -87.94480 487.48584
4625.0000 -90.53149 -88.40051 2.13098 1.90833 -87.96042 456.54519
4630.0000 -90.42977 -87.87474 2.55503 1.85993 -88.49791 441.11442
4635.0000 -89.84802 -87.41667 2.43134 1.96795 -87.29851 535.76365
4640.0000 -90.17621 -88.39843 1.77778 1.89157 -88.14652 474.21724
4645.0000 -90.31912 -87.92686 2.39227 1.86358 -88.45733 455.01860
4650.0000 -90.66191 -88.44334 2.21857 1.89679 -88.08861 484.06639
4655.0000 -90.15199 -87.86725 2.28474 1.89759 -88.07970 458.10624
4660.0000 -89.95369 -87.73722 2.21647 1.93162 -87.70185 489.11042
4665.0000 -89.75033 -87.25210 2.49823 1.93373 -87.67845 514.72876
4670.0000 -89.37015 -86.56564 2.80451 1.99861 -86.95804 559.22046
4675.0000 -89.84682 -87.22723 2.61960 2.00387 -86.89968 571.63443
4680.0000 -90.21429 -87.64505 2.56924 1.95471 -87.44546 519.07251
4685.0000 -89.93278 -87.58056 2.35223 1.92230 -87.80540 496.13344
4690.0000 -89.99192 -87.75021 2.24171 1.94458 -87.55800 506.24845
4695.0000 -89.66975 -87.58673 2.08302 1.94454 -87.55837 508.50057
4700.0000 -89.61818 -87.22541 2.39278 1.95864 -87.40186 546.75481
4705.0000 -90.54490 -88.37343 2.17147 1.93486 -87.66587 532.21601
4710.0000 -90.67829 -88.57559 2.10270 1.86147 -88.48083 424.57511
4715.0000 -90.67074 -87.58806 3.08268 1.93556 -87.65812 518.60847
4720.0000 -89.93434 -87.25382 2.68052 1.93705 -87.64160 527.61466
4725.0000 -89.27213 -86.62345 2.64868 2.00886 -86.84422 549.01296
4730.0000 -89.45180 -87.42916 2.02264 2.01755 -86.74770 555.46698
4735.0000 -89.68515 -87.00078 2.68437 1.99549 -86.99263 554.84830
4740.0000 -89.33254 -86.40903 2.92351 2.02102 -86.70924 573.17065
4745.0000 -90.15087 -87.38452 2.76636 2.03089 -86.59960 573.94199
4750.0000 -89.55468 -87.13265 2.42203 2.01562 -86.76919 587.83255
FREEZING PROCESS: loop number 20 T-loop= 498.00000000000000
main_MD> interactions number 20 at Temperature= 498.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11072 0.86510 -0.63251
force_rgl> df(natom) -0.46112 1.35469 0.51190
4755.0000 -90.20649 -87.63446 2.57203 1.95140 -87.48220 488.66079
4760.0000 -90.52779 -88.44172 2.08607 1.88182 -88.25484 420.54665
4765.0000 -90.11986 -87.80593 2.31393 1.90194 -88.03148 441.63737
4770.0000 -89.75656 -87.71576 2.04080 1.92528 -87.77226 482.15683
4775.0000 -90.33825 -88.13061 2.20764 1.88151 -88.25828 440.04329
4780.0000 -90.27192 -88.44802 1.82391 1.88450 -88.22506 460.23993
4785.0000 -89.91192 -87.21036 2.70156 1.89777 -88.07769 475.66820
4790.0000 -89.70729 -87.72097 1.98632 1.98645 -87.09303 546.87502
4795.0000 -90.08752 -87.68937 2.39815 1.94436 -87.56046 518.81979
4800.0000 -90.24968 -87.45791 2.79177 1.95314 -87.46287 513.27127
4805.0000 -90.39182 -87.53115 2.86067 1.98173 -87.14547 565.73718
4810.0000 -90.67169 -88.22040 2.45129 1.92683 -87.75503 525.52982
4815.0000 -90.58460 -88.37819 2.20642 1.85538 -88.54842 443.80960
4820.0000 -90.14117 -87.93290 2.20828 1.87626 -88.31657 469.62437
4825.0000 -89.87869 -87.47294 2.40575 1.93091 -87.70975 488.57420
4830.0000 -89.60539 -87.30588 2.29951 1.99972 -86.94575 540.29985
4835.0000 -90.17577 -88.28824 1.88753 1.94755 -87.52495 509.37633
4840.0000 -90.66680 -88.72613 1.94067 1.86556 -88.43541 434.87174
4845.0000 -90.10305 -88.27646 1.82659 1.88621 -88.20612 470.03983
4850.0000 -89.77849 -87.19467 2.58381 1.92804 -87.74162 510.38873
4855.0000 -90.08714 -87.35968 2.72745 1.96992 -87.27658 525.68640
4860.0000 -89.85731 -87.58573 2.27158 1.93005 -87.71933 491.73130
4865.0000 -89.89930 -87.81462 2.08468 1.92043 -87.82614 482.75243
4870.0000 -89.39700 -86.55555 2.84146 1.94893 -87.50961 510.54440
4875.0000 -89.75423 -87.33308 2.42116 1.99702 -86.97571 563.20364
4880.0000 -90.16266 -87.54142 2.62124 1.91955 -87.83584 493.57021
4885.0000 -90.16975 -87.41690 2.75285 1.97617 -87.20718 559.10314
4890.0000 -89.98388 -87.37074 2.61315 1.95748 -87.41467 537.40514
4895.0000 -89.95341 -87.40148 2.55193 1.97670 -87.20130 564.34851
4900.0000 -90.10395 -87.68658 2.41736 1.90864 -87.95704 491.52424
4905.0000 -89.28331 -86.95908 2.32423 1.97287 -87.24388 551.21217
4910.0000 -90.06758 -88.13530 1.93228 1.94026 -87.60595 517.12398
4915.0000 -91.00037 -88.43888 2.56149 1.89982 -88.05501 497.30710
4920.0000 -90.15449 -87.69773 2.45675 1.87974 -88.27792 449.97002
4925.0000 -90.72565 -88.43772 2.28793 1.90796 -87.96456 495.65525
4930.0000 -90.18040 -87.93583 2.24457 1.87937 -88.28208 465.90706
4935.0000 -90.55061 -88.14125 2.40936 1.90752 -87.96944 489.10432
4940.0000 -90.92253 -88.34576 2.57677 1.84997 -88.60847 440.88630
4945.0000 -90.73687 -88.40174 2.33513 1.89335 -88.12680 492.35451
4950.0000 -90.64635 -88.14895 2.49740 1.90006 -88.05233 503.07793
4955.0000 -90.94176 -87.90079 3.04096 1.91961 -87.83518 509.65586
4960.0000 -90.96133 -88.24433 2.71700 1.90329 -88.01641 484.84066
4965.0000 -90.65512 -88.21472 2.44039 1.89306 -88.13007 470.78576
4970.0000 -89.91760 -87.27070 2.64690 1.91251 -87.91401 484.78890
4975.0000 -89.43292 -87.48353 1.94938 1.95820 -87.40674 536.32766
4980.0000 -90.22932 -87.74389 2.48543 1.93052 -87.71409 493.41908
4985.0000 -90.55669 -88.05736 2.49932 1.93011 -87.71863 491.18744
4990.0000 -90.20568 -87.99902 2.20666 1.93084 -87.71056 529.77187
4995.0000 -90.04668 -87.55432 2.49237 1.92676 -87.75586 519.70542
5000.0000 -89.59143 -87.08537 2.50606 1.94829 -87.51681 531.32500
FREEZING PROCESS: loop number 21 T-loop= 473.00000000000000
main_MD> interactions number 21 at Temperature= 473.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.11663 -3.36929 2.76647
force_rgl> df(natom) 3.89461 2.55801 -5.90707
5005.0000 -90.03163 -87.53496 2.49667 1.91073 -87.93383 468.92278
5010.0000 -91.07630 -88.77087 2.30543 1.90525 -87.99467 481.75180
5015.0000 -90.64799 -88.82977 1.81822 1.87125 -88.37215 453.44919
5020.0000 -90.98082 -88.66737 2.31346 1.85459 -88.55718 437.17220
5025.0000 -90.96750 -88.55218 2.41531 1.85368 -88.56725 447.24727
5030.0000 -90.50132 -88.32658 2.17474 1.85104 -88.59660 438.79450
5035.0000 -90.72464 -89.08017 1.64448 1.80847 -89.06932 399.99729
5040.0000 -90.75787 -88.77532 1.98256 1.79946 -89.16935 389.07708
5045.0000 -90.49770 -88.53231 1.96539 1.86204 -88.47444 453.52369
5050.0000 -90.36686 -87.54679 2.82007 1.88545 -88.21448 474.82844
5055.0000 -90.05801 -87.84829 2.20972 1.94001 -87.60866 520.93002
5060.0000 -90.14441 -87.67287 2.47153 1.91744 -87.85927 493.92498
5065.0000 -89.96944 -87.58409 2.38534 1.94228 -87.58355 516.39272
5070.0000 -90.16082 -88.13921 2.02162 1.91887 -87.84339 478.53991
5075.0000 -89.80300 -87.66990 2.13310 1.92832 -87.73846 491.02580
5080.0000 -90.34335 -87.62487 2.71848 1.96407 -87.34151 554.08748
5085.0000 -90.91289 -88.37872 2.53417 1.89899 -88.06422 484.14779
5090.0000 -90.46261 -87.86428 2.59833 1.88090 -88.26502 474.68882
5095.0000 -90.59594 -88.13054 2.46539 1.90890 -87.95410 501.05964
5100.0000 -90.74882 -88.56050 2.18832 1.88399 -88.23074 467.58881
5105.0000 -90.44776 -88.13375 2.31401 1.85130 -88.59374 435.25365
5110.0000 -90.89024 -88.67927 2.21098 1.85177 -88.58852 437.72238
5115.0000 -89.89801 -86.88232 3.01569 1.93161 -87.70196 518.64524
5120.0000 -90.22655 -87.87813 2.34843 1.97358 -87.23597 557.41210
5125.0000 -90.51637 -88.20721 2.30916 1.89157 -88.14659 469.74233
5130.0000 -90.40539 -87.99255 2.41285 1.92342 -87.79291 507.20260
5135.0000 -90.68373 -88.12623 2.55750 1.87311 -88.35156 457.47944
5140.0000 -91.25924 -88.82437 2.43487 1.84974 -88.61104 468.94153
5145.0000 -90.93021 -89.04897 1.88123 1.81781 -88.96554 434.53286
5150.0000 -90.34949 -88.02857 2.32091 1.84343 -88.68115 473.91621
5155.0000 -90.19250 -88.20714 1.98536 1.93124 -87.70608 525.50802
5160.0000 -90.15737 -87.94511 2.21226 1.88225 -88.25006 460.10547
5165.0000 -90.86703 -88.56882 2.29821 1.87862 -88.29041 456.88189
5170.0000 -90.66078 -88.00807 2.65270 1.86458 -88.44627 448.07550
5175.0000 -90.72392 -87.97626 2.74766 1.89747 -88.08104 470.87094
5180.0000 -90.70229 -87.90870 2.79359 1.89331 -88.12729 493.79327
5185.0000 -91.12770 -88.75297 2.37473 1.87792 -88.29812 485.52137
5190.0000 -90.86767 -88.78618 2.08149 1.83720 -88.75029 417.35752
5195.0000 -90.50530 -88.70133 1.80397 1.87656 -88.31320 461.48783
5200.0000 -90.42057 -88.42004 2.00053 1.82918 -88.83938 412.50112
5205.0000 -90.34486 -88.02861 2.31625 1.86661 -88.42367 451.17320
5210.0000 -89.73725 -87.73798 1.99927 1.90967 -87.94560 506.64298
5215.0000 -90.13683 -87.98785 2.14898 1.92517 -87.77348 504.85681
5220.0000 -90.72231 -88.73173 1.99058 1.87947 -88.28091 461.28728
5225.0000 -90.03317 -87.68786 2.34531 1.89419 -88.11747 485.55995
5230.0000 -90.63008 -88.21136 2.41872 1.92001 -87.83078 488.00618
5235.0000 -90.51089 -87.90831 2.60258 1.91284 -87.91037 458.65444
5240.0000 -89.79466 -87.61086 2.18380 1.94614 -87.54065 510.64293
5245.0000 -90.09450 -87.63650 2.45800 1.95842 -87.40428 530.40285
5250.0000 -89.50731 -87.31772 2.18960 1.99080 -87.04476 533.32518
FREEZING PROCESS: loop number 22 T-loop= 448.00000000000000
main_MD> interactions number 22 at Temperature= 448.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54902 -1.28107 0.19165
force_rgl> df(natom) -2.20933 -0.80719 -2.32096
5255.0000 -90.58908 -88.70477 1.88431 1.88809 -88.18517 467.67438
5260.0000 -91.14318 -88.78106 2.36212 1.81741 -88.97004 400.60175
5265.0000 -90.53267 -88.68259 1.85009 1.83902 -88.73002 423.31767
5270.0000 -90.89983 -88.74659 2.15324 1.86367 -88.45633 454.19412
5275.0000 -90.37444 -88.15525 2.21919 1.85600 -88.54157 446.08899
5280.0000 -90.68906 -88.86164 1.82741 1.85820 -88.51713 448.54763
5285.0000 -90.74065 -88.33937 2.40129 1.86520 -88.43935 445.67230
5290.0000 -90.39299 -87.97486 2.41813 1.90077 -88.04439 479.35160
5295.0000 -90.43573 -88.23908 2.19666 1.89470 -88.11177 475.12796
5300.0000 -90.80150 -88.84052 1.96097 1.85859 -88.51276 449.35374
5305.0000 -90.45115 -87.83858 2.61257 1.86039 -88.49277 430.46082
5310.0000 -90.60748 -88.38974 2.21774 1.90046 -88.04784 481.44479
5315.0000 -90.54360 -88.60200 1.94160 1.85569 -88.54499 438.51427
5320.0000 -90.41523 -88.41062 2.00461 1.83589 -88.76485 423.07933
5325.0000 -90.68450 -88.46841 2.21608 1.87121 -88.37261 454.93431
5330.0000 -89.86951 -87.70982 2.15970 1.88811 -88.18494 459.48707
5335.0000 -90.37868 -88.33565 2.04304 1.88880 -88.17734 452.65912
5340.0000 -90.59551 -88.31206 2.28345 1.86125 -88.48325 417.50437
5345.0000 -90.73515 -88.43414 2.30101 1.87217 -88.36200 479.91628
5350.0000 -90.40468 -87.73601 2.66867 1.89631 -88.09388 489.29991
5355.0000 -90.50791 -88.23524 2.27268 1.89866 -88.06789 489.50318
5360.0000 -90.42981 -88.15348 2.27633 1.87492 -88.33139 484.37227
5365.0000 -90.82906 -88.63347 2.19558 1.85550 -88.54711 457.02588
5370.0000 -90.64065 -88.63504 2.00561 1.85306 -88.57419 434.10169
5375.0000 -90.43578 -88.40955 2.02622 1.85794 -88.52000 434.47610
5380.0000 -90.77484 -88.77052 2.00432 1.85470 -88.55598 441.05883
5385.0000 -90.68200 -88.63584 2.04616 1.82981 -88.83237 434.40413
5390.0000 -91.32947 -88.64311 2.68635 1.86286 -88.46540 468.05083
5395.0000 -90.90002 -89.19651 1.70351 1.84606 -88.65190 462.79794
5400.0000 -89.98053 -88.23370 1.74683 1.84064 -88.71212 455.69995
5405.0000 -90.66518 -88.36736 2.29782 1.89203 -88.14150 460.76810
5410.0000 -90.62798 -88.32661 2.30136 1.86006 -88.49650 438.07518
5415.0000 -90.65409 -88.79417 1.85991 1.83456 -88.77958 426.25006
5420.0000 -90.68420 -88.69225 1.99195 1.83433 -88.78214 413.70505
5425.0000 -90.11256 -87.50188 2.61068 1.91160 -87.92415 505.90998
5430.0000 -90.22988 -87.87406 2.35582 1.93400 -87.67540 517.62747
5435.0000 -90.80110 -88.16388 2.63722 1.90292 -88.02051 503.15382
5440.0000 -91.45100 -88.93509 2.51591 1.81808 -88.96256 430.90953
5445.0000 -91.20297 -89.02813 2.17484 1.83480 -88.77688 440.23549
5450.0000 -90.66118 -88.69647 1.96472 1.83296 -88.79733 444.12189
5455.0000 -91.25561 -89.25341 2.00220 1.81199 -89.03023 391.30999
5460.0000 -90.64672 -88.45236 2.19436 1.80157 -89.14586 390.63655
5465.0000 -90.32797 -88.13984 2.18813 1.88563 -88.21251 477.19539
5470.0000 -90.95338 -89.04434 1.90905 1.86652 -88.42469 474.27048
5475.0000 -91.36725 -89.58225 1.78501 1.78707 -89.30694 384.12520
5480.0000 -90.29865 -88.10510 2.19355 1.85513 -88.55117 456.31027
5485.0000 -90.60912 -88.93744 1.67169 1.84779 -88.63273 438.71546
5490.0000 -91.00970 -88.71200 2.29770 1.83350 -88.79135 422.92434
5495.0000 -90.56097 -88.32271 2.23827 1.85281 -88.57697 415.34696
5500.0000 -90.87651 -88.48574 2.39077 1.84350 -88.68027 425.24210
FREEZING PROCESS: loop number 23 T-loop= 423.00000000000000
main_MD> interactions number 23 at Temperature= 423.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17158 1.79766 -4.33358
force_rgl> df(natom) -0.30167 -0.84682 0.20989
5505.0000 -90.16527 -87.92695 2.23832 1.87143 -88.37019 451.98717
5510.0000 -90.31836 -88.08403 2.23433 1.92806 -87.74137 494.20850
5515.0000 -91.07172 -88.88169 2.19002 1.85293 -88.57559 412.56879
5520.0000 -90.28010 -88.14620 2.13390 1.84934 -88.61550 403.31324
5525.0000 -91.11297 -89.02580 2.08716 1.85465 -88.55650 417.21497
5530.0000 -90.62917 -89.41351 1.21566 1.81789 -88.96464 401.94265
5535.0000 -90.99543 -88.90498 2.09045 1.81324 -89.01632 370.10289
5540.0000 -91.17979 -89.15007 2.02972 1.81007 -89.05156 374.79047
5545.0000 -90.92583 -89.14192 1.78391 1.78835 -89.29273 359.66107
5550.0000 -91.09904 -88.66363 2.43541 1.80631 -89.09327 421.53881
5555.0000 -90.80752 -88.69852 2.10899 1.83901 -88.73013 460.50525
5560.0000 -90.76995 -88.57868 2.19127 1.83043 -88.82541 421.15112
5565.0000 -90.93142 -89.17131 1.76012 1.82651 -88.86894 416.94760
5570.0000 -90.85437 -88.61265 2.24172 1.86055 -88.49103 437.26824
5575.0000 -91.04993 -89.35387 1.69606 1.82314 -88.90641 398.70550
5580.0000 -90.58389 -88.24403 2.33985 1.83122 -88.81663 415.24201
5585.0000 -90.31855 -88.31879 1.99976 1.87756 -88.30216 462.65417
5590.0000 -91.01243 -88.65993 2.35250 1.86213 -88.47350 437.69251
5595.0000 -90.68935 -88.76544 1.92391 1.84266 -88.68968 444.07676
5600.0000 -91.04185 -89.17152 1.87033 1.79419 -89.22788 384.44030
5605.0000 -90.99545 -88.89861 2.09685 1.81740 -88.97015 425.25275
5610.0000 -90.89000 -88.76695 2.12305 1.83147 -88.81387 427.24860
5615.0000 -91.00885 -88.23223 2.77662 1.84298 -88.68609 457.31501
5620.0000 -91.10712 -89.13379 1.97334 1.83850 -88.73587 443.62103
5625.0000 -90.83825 -89.05190 1.78635 1.79331 -89.23757 405.88619
5630.0000 -91.40253 -89.52617 1.87636 1.78507 -89.32908 392.61150
5635.0000 -91.14025 -89.53836 1.60189 1.76982 -89.49848 367.77479
5640.0000 -90.64540 -88.60110 2.04429 1.79812 -89.18421 396.20523
5645.0000 -90.78796 -88.38571 2.40225 1.85327 -88.57187 436.37427
5650.0000 -90.17638 -88.30702 1.86936 1.86004 -88.49663 453.37750
5655.0000 -91.32817 -89.10283 2.22534 1.82016 -88.93949 409.62378
5660.0000 -90.45785 -88.48208 1.97577 1.84569 -88.65603 424.18116
5665.0000 -91.06092 -88.86996 2.19096 1.83348 -88.79157 404.84272
5670.0000 -91.06315 -88.18543 2.87772 1.85682 -88.53241 444.09058
5675.0000 -90.62795 -88.82630 1.80165 1.85183 -88.58779 439.72543
5680.0000 -90.06045 -88.22152 1.83893 1.83775 -88.74421 409.24830
5685.0000 -90.13681 -88.13324 2.00357 1.90443 -88.00377 468.38092
5690.0000 -90.99894 -88.44875 2.55019 1.85690 -88.53148 432.58058
5695.0000 -90.91134 -88.85066 2.06068 1.83856 -88.73517 451.09301
5700.0000 -90.88075 -88.44909 2.43167 1.85415 -88.56212 449.38386
5705.0000 -90.73662 -88.84147 1.89515 1.83477 -88.77728 452.52926
5710.0000 -91.12033 -88.88171 2.23862 1.84590 -88.65373 438.92435
5715.0000 -90.22513 -88.44533 1.77980 1.83228 -88.80486 420.63198
5720.0000 -90.16037 -88.41521 1.74516 1.85503 -88.55235 439.42843
5725.0000 -90.60166 -88.59857 2.00309 1.88434 -88.22687 461.36616
5730.0000 -90.66010 -88.71230 1.94780 1.85192 -88.58685 438.98656
5735.0000 -90.11278 -87.85715 2.25563 1.87544 -88.32564 479.44799
5740.0000 -90.14110 -87.84434 2.29676 1.90653 -87.98041 491.47639
5745.0000 -90.13759 -87.97218 2.16542 1.94075 -87.60044 513.84602
5750.0000 -90.70037 -88.24781 2.45256 1.89102 -88.15272 471.54546
FREEZING PROCESS: loop number 24 T-loop= 398.00000000000000
main_MD> interactions number 24 at Temperature= 398.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58107 2.45043 0.59575
force_rgl> df(natom) 1.61890 -0.03281 -0.29935
5755.0000 -90.93498 -88.79797 2.13700 1.87724 -88.30563 471.00886
5760.0000 -90.91392 -89.19378 1.72014 1.82572 -88.87776 428.91692
5765.0000 -91.06222 -89.29543 1.76679 1.76845 -89.51369 371.22041
5770.0000 -91.35200 -89.41578 1.93623 1.79767 -89.18918 401.05985
5775.0000 -91.31238 -88.48004 2.83234 1.80165 -89.14499 401.77847
5780.0000 -91.19607 -89.21253 1.98353 1.83629 -88.76033 441.59323
5785.0000 -91.30521 -89.56004 1.74516 1.77990 -89.38649 381.97934
5790.0000 -91.13908 -89.27377 1.86531 1.81002 -89.05207 407.21189
5795.0000 -91.28627 -89.79612 1.49015 1.76868 -89.51109 363.74044
5800.0000 -91.32544 -89.13428 2.19116 1.75745 -89.63581 353.94828
5805.0000 -90.96305 -89.06246 1.90060 1.81998 -88.94150 415.15718
5810.0000 -90.71309 -88.72731 1.98578 1.82942 -88.83668 417.70471
5815.0000 -90.97909 -88.83846 2.14064 1.81987 -88.94276 413.33530
5820.0000 -90.62582 -88.54118 2.08464 1.82923 -88.83872 416.75192
5825.0000 -90.67250 -88.95697 1.71553 1.84346 -88.68080 407.19733
5830.0000 -90.83456 -88.99762 1.83694 1.80965 -89.05614 386.76566
5835.0000 -91.21318 -89.15348 2.05970 1.80153 -89.14635 372.81406
5840.0000 -90.64079 -88.33425 2.30654 1.85182 -88.58790 445.86708
5845.0000 -90.38478 -88.50262 1.88216 1.83158 -88.81268 412.05670
5850.0000 -90.52373 -89.01288 1.51085 1.82763 -88.85651 410.59919
5855.0000 -90.80202 -89.04907 1.75295 1.83212 -88.80672 431.12601
5860.0000 -90.74511 -89.25788 1.48723 1.80258 -89.13471 384.51436
5865.0000 -90.95320 -89.18745 1.76575 1.77461 -89.44530 348.69264
5870.0000 -90.64624 -88.21191 2.43434 1.83299 -88.79700 418.35065
5875.0000 -91.04157 -89.06388 1.97769 1.85331 -88.57135 440.20697
5880.0000 -91.08589 -89.27023 1.81565 1.79317 -89.23917 379.71095
5885.0000 -91.16320 -89.26133 1.90187 1.83135 -88.81527 424.24993
5890.0000 -91.32696 -89.59154 1.73542 1.77266 -89.46691 354.64994
5895.0000 -91.30913 -89.20789 2.10124 1.79312 -89.23970 397.34405
5900.0000 -90.82812 -88.83873 1.98939 1.81558 -88.99038 419.10859
5905.0000 -91.09870 -89.17232 1.92638 1.82931 -88.83790 436.16213
5910.0000 -90.75397 -88.54546 2.20850 1.81908 -88.95152 404.02747
5915.0000 -90.87659 -88.62734 2.24924 1.83659 -88.75707 420.79599
5920.0000 -90.19405 -88.25212 1.94193 1.86933 -88.39352 451.40223
5925.0000 -90.77133 -88.36844 2.40289 1.86788 -88.40964 452.70847
5930.0000 -90.80874 -89.00418 1.80457 1.81821 -88.96114 398.46021
5935.0000 -90.73598 -89.14960 1.58638 1.78823 -89.29408 379.10715
5940.0000 -90.85750 -89.15088 1.70662 1.78700 -89.30774 377.81115
5945.0000 -90.63790 -88.91611 1.72180 1.82267 -88.91159 410.11751
5950.0000 -91.47934 -89.54869 1.93065 1.77833 -89.40391 370.66453
5955.0000 -91.10849 -89.10732 2.00117 1.78023 -89.38285 374.56858
5960.0000 -91.41880 -89.59116 1.82763 1.80772 -89.07763 400.24487
5965.0000 -90.94523 -89.45391 1.49132 1.80222 -89.13864 401.24563
5970.0000 -91.21318 -89.50242 1.71076 1.76339 -89.56986 355.08921
5975.0000 -91.55647 -89.73267 1.82380 1.73547 -89.87988 330.49268
5980.0000 -91.40132 -89.93823 1.46309 1.74554 -89.76800 341.36258
5985.0000 -91.53289 -89.79021 1.74268 1.74758 -89.74542 347.53225
5990.0000 -91.42478 -89.61504 1.80973 1.74197 -89.80768 344.09266
5995.0000 -91.14906 -89.31903 1.83004 1.75128 -89.70434 350.16966
6000.0000 -91.00230 -88.89474 2.10755 1.83020 -88.82797 433.97228
FREEZING PROCESS: loop number 25 T-loop= 373.00000000000000
main_MD> interactions number 25 at Temperature= 373.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10841 0.54610 0.48456
force_rgl> df(natom) -0.28358 -1.39704 3.36820
6005.0000 -90.97370 -88.88058 2.09312 1.79144 -89.25838 384.28204
6010.0000 -91.23860 -89.36366 1.87494 1.79417 -89.22804 386.47186
6015.0000 -91.09908 -89.06143 2.03765 1.78692 -89.30853 374.92181
6020.0000 -91.34129 -89.55471 1.78659 1.77625 -89.42703 369.07136
6025.0000 -91.23869 -89.91347 1.32522 1.74714 -89.75027 322.87585
6030.0000 -91.38439 -89.69402 1.69037 1.77126 -89.48243 344.69683
6035.0000 -91.02411 -89.06137 1.96274 1.78010 -89.38429 354.70533
6040.0000 -91.24342 -89.55551 1.68791 1.78204 -89.36280 377.30300
6045.0000 -91.04817 -89.36650 1.68167 1.78324 -89.34940 383.96065
6050.0000 -90.96852 -89.18579 1.78274 1.76671 -89.53299 344.82752
6055.0000 -91.07690 -89.10118 1.97572 1.79894 -89.17505 385.26689
6060.0000 -90.79826 -89.19658 1.60168 1.80674 -89.08848 406.45024
6065.0000 -90.68545 -88.72769 1.95776 1.79090 -89.26443 404.10938
6070.0000 -90.72744 -89.07295 1.65449 1.81801 -88.96335 413.80145
6075.0000 -91.27235 -89.62234 1.65001 1.78796 -89.29703 396.58818
6080.0000 -91.44550 -90.07684 1.36866 1.74990 -89.71964 347.65754
6085.0000 -90.92772 -89.30111 1.62662 1.73837 -89.84770 337.03425
6090.0000 -90.92782 -88.93218 1.99564 1.79554 -89.21280 391.51364
6095.0000 -91.36999 -89.69195 1.67804 1.78380 -89.34320 376.89273
6100.0000 -91.54560 -89.54579 1.99981 1.75693 -89.64160 351.92233
6105.0000 -91.05762 -88.95903 2.09859 1.79404 -89.22951 393.21929
6110.0000 -90.57621 -88.90198 1.67423 1.81178 -89.03258 361.21340
6115.0000 -90.98869 -88.86953 2.11916 1.81860 -88.95677 419.57103
6120.0000 -90.35375 -88.46886 1.88489 1.84326 -88.68299 455.03749
6125.0000 -91.11655 -88.34479 2.77176 1.87237 -88.35976 475.18579
6130.0000 -90.47452 -88.37068 2.10384 1.88309 -88.24075 480.89957
6135.0000 -91.17012 -89.11842 2.05170 1.81718 -88.97257 386.55332
6140.0000 -91.09340 -89.17365 1.91975 1.79519 -89.21677 382.24241
6145.0000 -91.50289 -89.63228 1.87061 1.75578 -89.65432 347.76501
6150.0000 -91.36209 -89.90749 1.45459 1.73036 -89.93661 322.17890
6155.0000 -90.82136 -89.51651 1.30484 1.77893 -89.39731 377.31034
6160.0000 -91.09137 -89.22231 1.86906 1.79265 -89.24494 394.04308
6165.0000 -91.37280 -89.53955 1.83325 1.79346 -89.23596 390.07283
6170.0000 -91.40490 -89.48303 1.92187 1.75352 -89.67940 329.53819
6175.0000 -91.10951 -89.14219 1.96733 1.78241 -89.35861 373.21103
6180.0000 -91.10886 -89.14625 1.96261 1.80055 -89.15723 398.20680
6185.0000 -91.29058 -89.22905 2.06153 1.80097 -89.15260 386.75889
6190.0000 -91.09387 -89.10627 1.98760 1.79149 -89.25781 386.06307
6195.0000 -91.41224 -89.40067 2.01157 1.78491 -89.33092 373.83944
6200.0000 -91.35956 -89.46171 1.89785 1.80584 -89.09845 396.84332
6205.0000 -91.61866 -89.54122 2.07744 1.75569 -89.65532 348.38469
6210.0000 -90.82881 -89.61142 1.21739 1.75255 -89.69022 346.91335
6215.0000 -91.31411 -89.48212 1.83198 1.76577 -89.54347 366.85803
6220.0000 -91.66721 -89.93613 1.73109 1.76797 -89.51893 352.43725
6225.0000 -90.98464 -89.63832 1.34632 1.73351 -89.90159 323.04992
6230.0000 -90.61621 -88.65896 1.95725 1.80937 -89.05934 401.07294
6235.0000 -91.04784 -89.14400 1.90384 1.81610 -88.98458 408.18028
6240.0000 -91.33638 -89.89667 1.43971 1.75767 -89.63334 350.09677
6245.0000 -91.55122 -89.80540 1.74582 1.74267 -89.79994 347.74330
6250.0000 -91.31839 -89.23578 2.08262 1.76538 -89.54776 361.76063
FREEZING PROCESS: loop number 26 T-loop= 348.00000000000000
main_MD> interactions number 26 at Temperature= 348.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11944 0.75760 0.27620
force_rgl> df(natom) -0.90574 0.66655 -0.51511
6255.0000 -91.70446 -90.07460 1.62986 1.76353 -89.56830 367.11328
6260.0000 -91.34211 -89.68866 1.65345 1.73956 -89.83442 333.02467
6265.0000 -91.22001 -89.27585 1.94416 1.75391 -89.67515 348.50179
6270.0000 -91.46805 -89.63567 1.83238 1.79617 -89.20583 398.23093
6275.0000 -91.44618 -89.82489 1.62129 1.74881 -89.73174 343.66995
6280.0000 -91.27671 -89.19543 2.08128 1.76549 -89.54653 363.53941
6285.0000 -91.47098 -89.87674 1.59424 1.77810 -89.40653 363.50362
6290.0000 -91.35499 -89.25326 2.10172 1.77543 -89.43619 363.08247
6295.0000 -91.14424 -89.08288 2.06136 1.80359 -89.12349 394.40644
6300.0000 -91.16525 -89.47953 1.68572 1.78931 -89.28204 364.16630
6305.0000 -91.60816 -89.81422 1.79394 1.75134 -89.70364 323.06905
6310.0000 -91.34870 -90.17962 1.16909 1.74045 -89.82455 325.18185
6315.0000 -91.42103 -89.92863 1.49240 1.73657 -89.86770 315.18724
6320.0000 -91.35960 -89.70334 1.65625 1.74111 -89.81723 328.74573
6325.0000 -90.78867 -88.92430 1.86437 1.78128 -89.37119 378.44654
6330.0000 -91.04255 -89.16201 1.88054 1.82060 -88.93465 404.89373
6335.0000 -91.38789 -89.54279 1.84510 1.77833 -89.40391 356.67776
6340.0000 -91.14928 -89.19840 1.95088 1.77801 -89.40756 367.29225
6345.0000 -90.96156 -89.70195 1.25961 1.76362 -89.56730 334.73156
6350.0000 -91.26971 -89.59482 1.67489 1.78272 -89.35524 352.29489
6355.0000 -91.12090 -89.83370 1.28721 1.75332 -89.68162 321.47851
6360.0000 -91.34587 -89.94985 1.39602 1.74540 -89.76956 307.96011
6365.0000 -91.16149 -89.58844 1.57305 1.74115 -89.81681 302.49761
6370.0000 -91.27150 -89.72428 1.54722 1.74995 -89.71903 318.56019
6375.0000 -91.11759 -89.73481 1.38278 1.74069 -89.82187 313.72580
6380.0000 -91.13787 -89.26477 1.87310 1.77618 -89.42787 348.88194
6385.0000 -91.32671 -89.58427 1.74244 1.76783 -89.52058 340.50465
6390.0000 -91.13131 -89.77406 1.35725 1.77080 -89.48755 365.17616
6395.0000 -91.56652 -90.01573 1.55079 1.72620 -89.98277 299.59434
6400.0000 -91.26273 -89.74505 1.51768 1.74911 -89.72835 332.54803
6405.0000 -91.46159 -89.87046 1.59113 1.75594 -89.65259 340.37780
6410.0000 -91.66248 -89.66396 1.99852 1.74402 -89.78494 326.42059
6415.0000 -91.45420 -89.99375 1.46045 1.73767 -89.85547 323.00323
6420.0000 -91.48546 -89.96558 1.51988 1.72963 -89.94471 320.19255
6425.0000 -91.26455 -89.73871 1.52584 1.73321 -89.90491 317.51410
6430.0000 -91.37690 -89.99240 1.38449 1.74909 -89.72859 345.76943
6435.0000 -91.89171 -90.02563 1.86608 1.72959 -89.94510 332.90945
6440.0000 -91.46126 -89.99867 1.46259 1.75305 -89.68468 358.65826
6445.0000 -91.37539 -90.02263 1.35276 1.70845 -90.17983 302.73001
6450.0000 -90.86435 -89.39869 1.46566 1.73824 -89.84905 320.24303
6455.0000 -91.52663 -89.74631 1.78032 1.76956 -89.50136 376.28698
6460.0000 -90.83693 -89.22079 1.61614 1.77406 -89.45135 358.86668
6465.0000 -91.56230 -89.72663 1.83567 1.77182 -89.47621 352.37605
6470.0000 -91.06125 -89.57955 1.48170 1.75521 -89.66067 329.20619
6475.0000 -91.48325 -89.54727 1.93598 1.76340 -89.56973 333.01538
6480.0000 -91.51302 -89.74640 1.76662 1.75878 -89.62101 350.39736
6485.0000 -90.87898 -89.36418 1.51480 1.73505 -89.88456 318.85908
6490.0000 -90.91904 -89.02333 1.89571 1.79672 -89.19974 400.29642
6495.0000 -90.24938 -88.49553 1.75385 1.83381 -88.78791 428.86777
6500.0000 -91.18273 -89.33997 1.84276 1.83118 -88.81708 418.06966
FREEZING PROCESS: loop number 27 T-loop= 323.00000000000000
main_MD> interactions number 27 at Temperature= 323.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09889 1.10728 -0.84556
force_rgl> df(natom) 1.52456 0.74326 -1.15382
6505.0000 -91.48342 -89.56992 1.91350 1.76143 -89.59162 343.31169
6510.0000 -91.57576 -89.99204 1.58373 1.74208 -89.80646 327.18241
6515.0000 -91.41479 -89.69998 1.71481 1.73391 -89.89721 318.77677
6520.0000 -91.33728 -89.54104 1.79624 1.76467 -89.55566 358.84016
6525.0000 -91.55385 -89.83616 1.71769 1.72596 -89.98545 309.04851
6530.0000 -91.37961 -89.74607 1.63354 1.73804 -89.85132 324.49418
6535.0000 -91.57008 -89.88184 1.68824 1.77878 -89.39897 369.82034
6540.0000 -91.61967 -89.58691 2.03276 1.72530 -89.99274 316.93886
6545.0000 -91.52584 -89.80960 1.71624 1.75352 -89.67939 347.24705
6550.0000 -91.30513 -90.31439 0.99074 1.74905 -89.72903 347.51010
6555.0000 -91.39256 -89.83209 1.56046 1.71658 -90.08959 298.13652
6560.0000 -91.94421 -90.33694 1.60727 1.72596 -89.98548 308.24411
6565.0000 -91.35455 -89.65766 1.69689 1.73303 -89.90698 316.42352
6570.0000 -91.24572 -89.59699 1.64874 1.76029 -89.60429 345.74000
6575.0000 -91.32949 -89.55474 1.77475 1.78893 -89.28627 375.07442
6580.0000 -91.37987 -89.68403 1.69585 1.74677 -89.75443 334.58409
6585.0000 -91.43253 -89.94690 1.48563 1.73871 -89.84388 324.58882
6590.0000 -91.51628 -89.54725 1.96903 1.75191 -89.69731 337.19019
6595.0000 -91.76216 -90.49371 1.26845 1.72325 -90.01556 308.76070
6600.0000 -92.23338 -90.88271 1.35067 1.65722 -90.74876 242.25989
6605.0000 -91.88953 -90.52053 1.36899 1.66931 -90.61452 262.92751
6610.0000 -91.57186 -90.25576 1.31610 1.68943 -90.39111 284.59261
6615.0000 -91.38836 -90.10564 1.28272 1.71655 -90.08996 308.68281
6620.0000 -91.15492 -89.85963 1.29528 1.70609 -90.20605 297.33450
6625.0000 -91.34119 -89.62588 1.71531 1.74077 -89.82106 337.00145
6630.0000 -91.70790 -90.05865 1.64925 1.71403 -90.11790 315.55081
6635.0000 -91.51175 -89.64985 1.86190 1.75659 -89.64533 352.68034
6640.0000 -91.55197 -90.03094 1.52103 1.73049 -89.93519 332.31868
6645.0000 -91.64865 -90.03453 1.61412 1.71155 -90.14544 307.35724
6650.0000 -91.17134 -89.83213 1.33921 1.73291 -89.90826 327.27135
6655.0000 -91.84790 -90.37324 1.47466 1.72821 -89.96044 324.22614
6660.0000 -91.98703 -90.52319 1.46384 1.69345 -90.34641 295.77721
6665.0000 -91.60090 -90.19365 1.40725 1.68545 -90.43531 277.65889
6670.0000 -91.75761 -90.10581 1.65180 1.70241 -90.24698 300.80451
6675.0000 -91.29635 -89.64344 1.65291 1.74610 -89.76177 350.20292
6680.0000 -91.68015 -89.90077 1.77938 1.73451 -89.89052 335.24796
6685.0000 -91.46928 -90.04560 1.42368 1.71576 -90.09871 303.48866
6690.0000 -91.62821 -90.40618 1.22203 1.70079 -90.26490 280.02163
6695.0000 -91.33667 -89.90683 1.42984 1.69006 -90.38404 278.71970
6700.0000 -91.69033 -89.91226 1.77806 1.73195 -89.91896 332.89050
6705.0000 -91.61729 -90.18291 1.43438 1.72979 -89.94291 326.42147
6710.0000 -91.56937 -90.08365 1.48572 1.70688 -90.19731 302.96984
6715.0000 -91.72837 -90.41198 1.31639 1.69988 -90.27501 296.76222
6720.0000 -92.08672 -90.08827 1.99845 1.71684 -90.08675 315.49804
6725.0000 -91.34471 -89.94811 1.39661 1.72163 -90.03358 319.75069
6730.0000 -91.59010 -89.79393 1.79617 1.73981 -89.83170 335.07253
6735.0000 -91.33312 -89.78480 1.54833 1.75489 -89.66425 359.51695
6740.0000 -91.45496 -89.77551 1.67945 1.74190 -89.80849 341.97877
6745.0000 -91.85790 -90.30984 1.54805 1.70843 -90.18014 304.12892
6750.0000 -91.45043 -90.04717 1.40326 1.70411 -90.22801 306.95442
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 57.0364632 [s].
main_MD> Deallocating global variables
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