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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_33/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_33.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 = 33 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 33 3300
main_MD> Size of nv and nvoiz: 33 3300
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 = 33
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -1.7652015325798059E-002 -2.4067351400447239E-002 3.7609904596338679E-002 initial drift of cluster / NP1 for coalescence
init> 0.30002872700529287 0.32994705920364603 0.27127691663604836 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7099219820287007E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43631 -4.18698 0.12350
force_rgl> df(natom) -1.15571 -2.21407 -1.51592
preparo> THERMALIZATION PROCESS AT 1195.3439156777160
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -70.745200114163737 4.0113844963916669 -74.756584610555407 5.7124156371767432E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
FREEZING PROCESS: loop number 1 T-loop= 1169.0000000000000
main_MD> interactions number 1 at Temperature= 1169.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43285 1.92748 -0.88035
force_rgl> df(natom) -3.27675 0.49358 -2.01564
5.0000 -75.87114 -71.80131 4.06983 2.50518 -71.57602 1099.07494
10.0000 -74.85049 -70.19206 4.65843 2.50146 -71.61431 1033.70948
15.0000 -74.72482 -70.51865 4.20618 2.69028 -69.67167 1200.04000
20.0000 -73.42141 -68.41524 5.00617 2.69998 -69.57190 1239.27280
25.0000 -74.42809 -67.52168 6.90642 2.88084 -67.71108 1349.83818
30.0000 -74.11457 -70.19639 3.91818 2.77107 -68.84049 1292.06867
35.0000 -74.78108 -70.28505 4.49602 2.62675 -70.32530 1139.18426
40.0000 -75.86658 -70.22398 5.64259 2.58550 -70.74970 1146.78611
45.0000 -76.02952 -70.73160 5.29792 2.62721 -70.32052 1161.19094
50.0000 -74.67119 -68.46526 6.20593 2.74791 -69.07870 1279.58047
55.0000 -74.70917 -68.63839 6.07078 2.78139 -68.73429 1301.09642
60.0000 -73.03415 -66.53692 6.49723 2.92631 -67.24331 1384.52505
65.0000 -74.09137 -67.66051 6.43086 2.90459 -67.46674 1361.67764
70.0000 -74.59496 -71.00193 3.59303 2.70005 -69.57117 1215.30571
75.0000 -74.90129 -70.20378 4.69751 2.62794 -70.31307 1155.22515
80.0000 -74.90541 -68.58241 6.32300 2.64339 -70.15411 1185.72313
85.0000 -74.93675 -68.87649 6.06026 2.77298 -68.82082 1244.46799
90.0000 -74.39407 -70.62491 3.76917 2.69482 -69.62496 1138.77290
95.0000 -74.34649 -69.53632 4.81018 2.61590 -70.43690 1119.32673
100.0000 -74.59881 -70.29259 4.30622 2.72990 -69.26406 1146.69798
105.0000 -75.06625 -69.38916 5.67709 2.75784 -68.97660 1262.31369
110.0000 -74.33450 -69.19569 5.13881 2.75319 -69.02447 1255.90167
115.0000 -75.56528 -70.41240 5.15288 2.69098 -69.66449 1185.49174
120.0000 -75.11177 -70.71294 4.39884 2.58845 -70.71934 1097.81004
125.0000 -74.98804 -70.65887 4.32917 2.58154 -70.79042 1068.60955
130.0000 -75.21976 -69.76065 5.45911 2.64720 -70.11485 1207.40935
135.0000 -74.74965 -69.04953 5.70011 2.74346 -69.12453 1265.79360
140.0000 -74.59055 -69.30286 5.28769 2.77078 -68.84346 1308.78196
145.0000 -75.50040 -69.98416 5.51624 2.71526 -69.41468 1214.12696
150.0000 -74.66898 -69.93417 4.73481 2.62922 -70.29984 1154.84291
155.0000 -75.60161 -70.52024 5.08137 2.70972 -69.47163 1184.22508
160.0000 -75.38259 -69.79360 5.58899 2.69082 -69.66607 1178.29809
165.0000 -74.89714 -69.75339 5.14375 2.70231 -69.54790 1182.52866
170.0000 -76.29172 -70.86763 5.42409 2.61719 -70.42361 1151.12189
175.0000 -75.38364 -70.41208 4.97155 2.62599 -70.33314 1122.25542
180.0000 -74.38943 -70.12229 4.26714 2.54790 -71.13647 1060.68545
185.0000 -75.09153 -69.96591 5.12562 2.66408 -69.94121 1158.64773
190.0000 -75.76829 -70.16948 5.59881 2.74469 -69.11183 1267.31148
195.0000 -76.43748 -70.67826 5.75922 2.63689 -70.22092 1217.36726
200.0000 -75.48353 -69.99084 5.49269 2.68307 -69.74585 1215.79141
205.0000 -74.22533 -69.06795 5.15738 2.74116 -69.14819 1234.33061
210.0000 -73.17446 -67.98252 5.19194 2.80868 -68.45353 1272.73902
215.0000 -75.16824 -69.23563 5.93261 2.75031 -69.05407 1185.60724
220.0000 -74.90774 -69.54420 5.36354 2.69705 -69.60204 1158.07673
225.0000 -74.25103 -70.16594 4.08509 2.66759 -69.90512 1175.92430
230.0000 -75.53202 -68.95649 6.57553 2.74303 -69.12890 1252.22795
235.0000 -73.80798 -70.62479 3.18319 2.64251 -70.16308 1155.58493
240.0000 -75.34649 -69.98198 5.36451 2.61908 -70.40417 1135.79270
245.0000 -74.84615 -69.20502 5.64113 2.75507 -69.00504 1264.89108
250.0000 -75.20526 -69.87233 5.33293 2.74106 -69.14924 1213.26451
FREEZING PROCESS: loop number 2 T-loop= 1144.0000000000000
main_MD> interactions number 2 at Temperature= 1144.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.48561 -2.90297 -3.20685
force_rgl> df(natom) -5.08762 5.19582 -3.95339
255.0000 -76.45921 -71.83411 4.62510 2.62032 -70.39138 1128.26672
260.0000 -74.23629 -70.43134 3.80494 2.60046 -70.59570 1127.52653
265.0000 -75.72151 -70.93391 4.78760 2.59274 -70.67516 1095.83817
270.0000 -76.83871 -72.30237 4.53634 2.59420 -70.66016 1084.62735
275.0000 -75.38582 -71.96586 3.41996 2.47393 -71.89748 1024.06389
280.0000 -75.61916 -70.21484 5.40432 2.55176 -71.09682 1066.83691
285.0000 -74.91149 -70.16981 4.74168 2.66949 -69.88556 1171.76089
290.0000 -74.60058 -68.29850 6.30208 2.69192 -69.65483 1209.84400
295.0000 -75.77381 -70.10329 5.67052 2.74561 -69.10237 1267.15533
300.0000 -73.93436 -67.83468 6.09969 2.70202 -69.55092 1223.02795
305.0000 -73.31790 -68.32381 4.99409 2.83058 -68.22824 1258.56795
310.0000 -73.48168 -70.28033 3.20136 2.73044 -69.25848 1153.82225
315.0000 -72.45452 -68.57645 3.87807 2.60564 -70.54248 1102.55506
320.0000 -74.49283 -69.38334 5.10949 2.75466 -69.00928 1222.01495
325.0000 -74.82873 -70.77790 4.05082 2.70672 -69.50249 1208.09555
330.0000 -74.84873 -70.05655 4.79218 2.58571 -70.74747 1105.99114
335.0000 -75.05591 -69.83265 5.22327 2.65048 -70.08112 1150.23966
340.0000 -75.16961 -69.12402 6.04559 2.69602 -69.61264 1194.02838
345.0000 -74.78676 -70.60797 4.17879 2.68533 -69.72262 1214.04816
350.0000 -75.38922 -70.38768 5.00153 2.60421 -70.55714 1155.13573
355.0000 -73.98156 -69.17479 4.80677 2.70445 -69.52591 1220.34490
360.0000 -74.41350 -69.11747 5.29603 2.69889 -69.58304 1207.26563
365.0000 -73.69916 -68.51763 5.18153 2.73835 -69.17705 1219.25346
370.0000 -72.15000 -65.80784 6.34216 2.96377 -66.85787 1500.76593
375.0000 -75.43309 -68.66554 6.76755 2.84760 -68.05309 1362.62593
380.0000 -75.41467 -70.83768 4.57700 2.65018 -70.08427 1148.02539
385.0000 -75.13233 -70.54519 4.58713 2.63585 -70.23161 1178.38934
390.0000 -75.19196 -70.76472 4.42724 2.55573 -71.05598 1061.81774
395.0000 -74.37681 -69.28794 5.08887 2.62050 -70.38954 1105.38801
400.0000 -75.50001 -70.70069 4.79931 2.67302 -69.84928 1169.98559
405.0000 -73.39860 -68.20413 5.19447 2.66835 -69.89726 1126.83737
410.0000 -75.68440 -70.99391 4.69049 2.63350 -70.25584 1124.84242
415.0000 -75.29648 -70.45831 4.83817 2.61639 -70.43181 1180.59360
420.0000 -74.80703 -70.64322 4.16381 2.61057 -70.49173 1113.90220
425.0000 -75.43752 -69.98399 5.45353 2.57594 -70.84804 1147.96855
430.0000 -75.85443 -71.06669 4.78774 2.58769 -70.72715 1091.15867
435.0000 -74.94214 -69.44630 5.49585 2.58561 -70.74848 1091.02053
440.0000 -74.00485 -69.68649 4.31836 2.60170 -70.58304 1145.03423
445.0000 -75.42065 -71.13956 4.28109 2.64387 -70.14914 1132.26953
450.0000 -74.84608 -70.37973 4.46635 2.57283 -70.88004 1101.51474
455.0000 -74.39691 -70.44145 3.95547 2.63886 -70.20066 1163.00353
460.0000 -75.10214 -71.41665 3.68550 2.54217 -71.19540 1058.30694
465.0000 -76.26844 -70.39315 5.87528 2.52667 -71.35491 1020.04855
470.0000 -75.25720 -70.51758 4.73962 2.65474 -70.03734 1130.91329
475.0000 -76.37535 -70.97811 5.39725 2.53797 -71.23862 1033.39110
480.0000 -75.04035 -70.77669 4.26366 2.55825 -71.02997 1076.01044
485.0000 -75.72264 -70.07350 5.64914 2.61246 -70.47224 1115.35769
490.0000 -74.53647 -69.80898 4.72749 2.61570 -70.43891 1166.20021
495.0000 -75.61905 -70.89150 4.72755 2.63677 -70.22216 1162.28230
500.0000 -75.55088 -70.06940 5.48148 2.64285 -70.15966 1163.01381
FREEZING PROCESS: loop number 3 T-loop= 1119.0000000000000
main_MD> interactions number 3 at Temperature= 1119.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.19499 1.36228 0.50219
force_rgl> df(natom) 0.69935 -0.59942 -0.31452
505.0000 -75.67063 -71.56242 4.10821 2.43910 -72.25585 989.04824
510.0000 -75.40288 -71.10468 4.29820 2.55776 -71.03511 1121.54963
515.0000 -76.03311 -70.63282 5.40030 2.61381 -70.45837 1139.84220
520.0000 -74.91513 -70.03100 4.88413 2.67367 -69.84253 1166.33145
525.0000 -74.61826 -69.94458 4.67368 2.63156 -70.27574 1200.26836
530.0000 -74.06547 -68.98125 5.08422 2.77529 -68.79702 1251.21772
535.0000 -74.11638 -69.43812 4.67826 2.69553 -69.61764 1126.66811
540.0000 -75.25957 -69.83795 5.42163 2.71950 -69.37105 1192.68843
545.0000 -76.07786 -71.40880 4.66906 2.60237 -70.57606 1086.58187
550.0000 -76.98475 -72.13047 4.85428 2.45094 -72.13404 947.75398
555.0000 -75.64551 -71.71696 3.92855 2.52931 -71.32776 1023.31453
560.0000 -76.56272 -72.54317 4.01955 2.47838 -71.85174 1014.17485
565.0000 -77.59491 -73.17615 4.41876 2.37570 -72.90816 870.48876
570.0000 -77.32630 -74.42516 2.90114 2.32544 -73.42522 873.21072
575.0000 -76.19599 -71.89947 4.29651 2.39702 -72.68877 938.06577
580.0000 -76.71671 -72.07088 4.64583 2.51975 -71.42614 1090.73364
585.0000 -76.38784 -72.05925 4.32858 2.50368 -71.59143 1016.99682
590.0000 -75.85315 -72.75394 3.09921 2.44106 -72.23566 961.61918
595.0000 -77.57080 -73.06663 4.50417 2.35223 -73.14964 913.32398
600.0000 -74.69665 -70.61695 4.07970 2.48312 -71.80299 1033.53987
605.0000 -74.28914 -68.82206 5.46708 2.62634 -70.32945 1180.78975
610.0000 -74.34936 -69.42049 4.92887 2.79355 -68.60921 1297.90697
615.0000 -75.96341 -71.68808 4.27533 2.61836 -70.41157 1094.63415
620.0000 -75.45779 -70.97963 4.47816 2.55790 -71.03364 1059.89510
625.0000 -74.94590 -69.41634 5.52956 2.61249 -70.47194 1105.00397
630.0000 -73.86803 -69.74772 4.12031 2.79642 -68.57963 1261.68314
635.0000 -74.51588 -68.57517 5.94071 2.72202 -69.34515 1247.83228
640.0000 -75.46412 -70.55908 4.90504 2.71077 -69.46085 1173.48971
645.0000 -75.34289 -70.05450 5.28839 2.64722 -70.11462 1148.97209
650.0000 -75.15555 -70.21705 4.93850 2.62779 -70.31452 1118.63148
655.0000 -76.33302 -70.34023 5.99279 2.65430 -70.04178 1175.51468
660.0000 -75.52479 -70.69517 4.82962 2.68240 -69.75268 1193.60979
665.0000 -75.53127 -70.96796 4.56331 2.57487 -70.85902 1060.97000
670.0000 -75.29794 -71.10168 4.19626 2.56011 -71.01084 1139.40002
675.0000 -75.58625 -70.25671 5.32954 2.59506 -70.65135 1096.08425
680.0000 -75.02830 -69.09683 5.93147 2.65577 -70.02672 1157.70237
685.0000 -74.41039 -69.98495 4.42544 2.76056 -68.94859 1275.42863
690.0000 -74.93471 -71.32616 3.60856 2.57980 -70.80831 1064.74077
695.0000 -75.14244 -70.31685 4.82559 2.59620 -70.63959 1088.08879
700.0000 -75.57647 -71.92871 3.64777 2.53792 -71.23921 1048.65841
705.0000 -75.74727 -71.05656 4.69070 2.54124 -71.20505 1085.94377
710.0000 -77.41064 -72.36697 5.04367 2.49190 -71.71266 1008.35946
715.0000 -76.11111 -72.05653 4.05458 2.51673 -71.45717 1036.94777
720.0000 -75.56319 -69.82007 5.74312 2.51478 -71.47730 1061.98930
725.0000 -75.06372 -69.85371 5.21001 2.64636 -70.12351 1208.08858
730.0000 -75.66878 -71.06631 4.60247 2.59733 -70.62800 1131.10253
735.0000 -75.41663 -69.71526 5.70137 2.58437 -70.76127 1037.34242
740.0000 -74.18961 -68.29873 5.89088 2.73005 -69.26249 1185.95578
745.0000 -74.73685 -70.29089 4.44596 2.70200 -69.55109 1231.27135
750.0000 -76.57757 -69.45974 7.11783 2.66678 -69.91343 1168.08187
FREEZING PROCESS: loop number 4 T-loop= 1094.0000000000000
main_MD> interactions number 4 at Temperature= 1094.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35354 -1.69003 0.29365
force_rgl> df(natom) -0.66703 -3.81319 -2.31521
755.0000 -76.55374 -72.41416 4.13958 2.60016 -70.59880 1114.27200
760.0000 -74.74526 -70.87513 3.87013 2.44908 -72.15317 997.91996
765.0000 -75.68257 -71.75122 3.93134 2.50116 -71.61737 1061.88355
770.0000 -76.36152 -72.15937 4.20215 2.40097 -72.64820 991.20871
775.0000 -76.45497 -72.04980 4.40517 2.41651 -72.48824 996.32909
780.0000 -75.29122 -70.99694 4.29428 2.46632 -71.97578 982.44319
785.0000 -74.98694 -70.17677 4.81017 2.60043 -70.59604 1069.79103
790.0000 -75.32471 -71.36947 3.95523 2.53598 -71.25912 1052.20653
795.0000 -77.28246 -72.96599 4.31647 2.43109 -72.33832 941.78514
800.0000 -75.96403 -71.92579 4.03824 2.38584 -72.80378 922.94772
805.0000 -76.14975 -72.32692 3.82283 2.44603 -72.18455 964.14026
810.0000 -75.76192 -71.52540 4.23652 2.48135 -71.82119 963.83289
815.0000 -75.50354 -71.75863 3.74490 2.47228 -71.91453 1039.86560
820.0000 -76.04788 -71.70434 4.34353 2.55014 -71.11343 1084.94836
825.0000 -75.87420 -71.71654 4.15766 2.41795 -72.47344 974.97031
830.0000 -77.01491 -72.36060 4.65432 2.45131 -72.13026 982.09431
835.0000 -76.24924 -70.93259 5.31666 2.48649 -71.76828 995.85814
840.0000 -75.50370 -71.41211 4.09159 2.53693 -71.24941 1052.94377
845.0000 -75.56386 -71.83596 3.72790 2.51797 -71.44445 1021.44450
850.0000 -74.94327 -70.72570 4.21757 2.51569 -71.46790 1004.28091
855.0000 -74.42094 -69.25515 5.16579 2.61970 -70.39783 1226.49401
860.0000 -75.48824 -70.58275 4.90549 2.69004 -69.67411 1148.52266
865.0000 -76.01347 -72.00470 4.00876 2.45809 -72.06047 1029.17256
870.0000 -75.48844 -71.67783 3.81061 2.46979 -71.94015 996.79217
875.0000 -75.28730 -71.05217 4.23512 2.42384 -72.41288 964.66064
880.0000 -74.92410 -70.25343 4.67067 2.53961 -71.22184 1054.79945
885.0000 -75.23898 -70.46169 4.77728 2.61759 -70.41949 1122.55134
890.0000 -75.33618 -69.91826 5.41792 2.55131 -71.10144 1096.40255
895.0000 -75.45113 -70.75425 4.69688 2.55306 -71.08344 1053.40870
900.0000 -75.82156 -71.42974 4.39183 2.52972 -71.32352 1074.69370
905.0000 -74.90449 -70.33924 4.56526 2.57859 -70.82074 1138.82774
910.0000 -74.94081 -70.00194 4.93887 2.67675 -69.81083 1193.61633
915.0000 -75.32340 -70.88549 4.43791 2.58985 -70.70488 1072.36128
920.0000 -75.52457 -70.77881 4.74575 2.55284 -71.08567 1054.54288
925.0000 -75.34515 -69.66682 5.67832 2.61392 -70.45723 1096.45474
930.0000 -75.72913 -71.03955 4.68958 2.54488 -71.16760 1046.15263
935.0000 -76.52392 -71.27466 5.24926 2.59938 -70.60685 1136.58779
940.0000 -74.34815 -70.44581 3.90234 2.60907 -70.50714 1123.71831
945.0000 -76.46234 -71.82792 4.63443 2.57838 -70.82292 1072.44647
950.0000 -75.49239 -71.67469 3.81770 2.51803 -71.44386 1041.27384
955.0000 -75.57759 -71.42547 4.15212 2.54280 -71.18897 1027.88933
960.0000 -76.06525 -73.00372 3.06153 2.48095 -71.82530 994.96607
965.0000 -75.19275 -71.07360 4.11915 2.40945 -72.56089 906.59665
970.0000 -75.99663 -71.09652 4.90011 2.48326 -71.80156 988.76473
975.0000 -74.72245 -69.83262 4.88984 2.68014 -69.77593 1145.48576
980.0000 -75.82090 -71.44837 4.37253 2.57647 -70.84261 1089.09599
985.0000 -75.88423 -71.41973 4.46450 2.57454 -70.86241 1062.94108
990.0000 -76.47488 -71.20303 5.27184 2.48277 -71.80653 1030.93534
995.0000 -76.19079 -71.60264 4.58815 2.60018 -70.59859 1166.83562
1000.0000 -75.59769 -70.98557 4.61212 2.48940 -71.73834 1031.42777
FREEZING PROCESS: loop number 5 T-loop= 1069.0000000000000
main_MD> interactions number 5 at Temperature= 1069.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.98276 1.20748 -0.70694
force_rgl> df(natom) 0.99649 3.73437 -1.31218
1005.0000 -74.43591 -70.16792 4.26799 2.64858 -70.10064 1131.51787
1010.0000 -75.53972 -69.71212 5.82760 2.64621 -70.12509 1146.46235
1015.0000 -75.84030 -70.45900 5.38130 2.65969 -69.98638 1216.59705
1020.0000 -74.52014 -70.49777 4.02236 2.58025 -70.80370 1114.33850
1025.0000 -76.09093 -70.78738 5.30356 2.59779 -70.62320 1099.60139
1030.0000 -74.73159 -69.54252 5.18908 2.62418 -70.35170 1134.85036
1035.0000 -76.08510 -70.76469 5.32041 2.62338 -70.35992 1101.60455
1040.0000 -76.12124 -71.98181 4.13943 2.44041 -72.24238 993.85488
1045.0000 -76.10532 -71.58607 4.51926 2.45932 -72.04781 978.27736
1050.0000 -73.35054 -68.95291 4.39763 2.63042 -70.28755 1133.11559
1055.0000 -74.60299 -68.51151 6.09148 2.80268 -68.51520 1196.20643
1060.0000 -74.70488 -68.41751 6.28737 2.87138 -67.80844 1362.67258
1065.0000 -75.68998 -69.92550 5.76448 2.75390 -69.01713 1220.66772
1070.0000 -76.16576 -71.92949 4.23627 2.60203 -70.57955 1168.52166
1075.0000 -76.36053 -70.54452 5.81601 2.55527 -71.06064 1133.97109
1080.0000 -74.18245 -69.48248 4.69997 2.66155 -69.96722 1178.85803
1085.0000 -75.95896 -71.68648 4.27248 2.49404 -71.69059 990.64735
1090.0000 -75.20937 -70.94480 4.26457 2.51720 -71.45238 1056.40830
1095.0000 -75.73752 -70.39729 5.34023 2.62657 -70.32711 1127.92562
1100.0000 -76.16214 -72.04777 4.11437 2.48882 -71.74429 1019.24025
1105.0000 -75.03802 -70.91369 4.12433 2.54626 -71.15336 1075.28222
1110.0000 -74.40949 -70.03709 4.37240 2.64612 -70.12600 1170.81691
1115.0000 -76.25842 -71.66682 4.59160 2.51560 -71.46881 1035.09064
1120.0000 -75.20971 -70.66628 4.54343 2.46334 -72.00647 983.89311
1125.0000 -73.74480 -69.62679 4.11801 2.66712 -69.90991 1163.10556
1130.0000 -75.39559 -70.33453 5.06106 2.66879 -69.89277 1213.37553
1135.0000 -76.17307 -71.10429 5.06878 2.64642 -70.12287 1185.89008
1140.0000 -75.60401 -72.10373 3.50028 2.56100 -71.00173 1067.83389
1145.0000 -73.61177 -69.76649 3.84528 2.58547 -70.74998 1057.69391
1150.0000 -75.40769 -70.20702 5.20067 2.62434 -70.35005 1091.78145
1155.0000 -75.86577 -71.20896 4.65681 2.59005 -70.70288 1049.79329
1160.0000 -74.65099 -71.03675 3.61424 2.61818 -70.41349 1132.76115
1165.0000 -75.42192 -71.38893 4.03300 2.55314 -71.08261 1079.27074
1170.0000 -76.59267 -72.12935 4.46332 2.48354 -71.79864 1027.32556
1175.0000 -75.53381 -72.09251 3.44130 2.43696 -72.27784 951.11842
1180.0000 -76.02847 -70.77008 5.25839 2.55608 -71.05239 1072.48646
1185.0000 -75.12350 -71.20055 3.92295 2.57334 -70.87480 1097.17042
1190.0000 -76.21739 -71.76149 4.45590 2.49187 -71.71290 1040.43847
1195.0000 -74.29235 -70.01988 4.27247 2.62320 -70.36183 1159.22955
1200.0000 -75.01307 -71.01574 3.99733 2.62321 -70.36166 1149.76135
1205.0000 -76.36360 -70.75648 5.60712 2.45322 -72.11059 981.23351
1210.0000 -75.65193 -70.46361 5.18832 2.60223 -70.57751 1131.13387
1215.0000 -76.63862 -71.69209 4.94652 2.54266 -71.19046 1073.38603
1220.0000 -76.34323 -71.46383 4.87940 2.57474 -70.86033 1095.11001
1225.0000 -76.00658 -71.76941 4.23717 2.51185 -71.50738 1005.78038
1230.0000 -75.15309 -70.92716 4.22593 2.52008 -71.42271 1001.95580
1235.0000 -74.66271 -70.69148 3.97123 2.57163 -70.89236 1041.68255
1240.0000 -74.62112 -70.87491 3.74621 2.63728 -70.21689 1151.29743
1245.0000 -75.14604 -70.41855 4.72749 2.53784 -71.24005 1010.44277
1250.0000 -75.69986 -71.01808 4.68178 2.62844 -70.30786 1122.79796
FREEZING PROCESS: loop number 6 T-loop= 1044.0000000000000
main_MD> interactions number 6 at Temperature= 1044.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18692 -0.26862 0.45149
force_rgl> df(natom) -0.31269 -1.13745 1.48612
1255.0000 -75.46822 -70.68488 4.78334 2.60130 -70.58710 1124.67539
1260.0000 -76.13743 -72.07784 4.05959 2.53998 -71.21800 1032.07440
1265.0000 -74.44304 -70.00651 4.43653 2.48820 -71.75068 1018.28400
1270.0000 -75.42899 -70.95591 4.47308 2.60695 -70.52894 1101.54758
1275.0000 -75.75008 -71.22875 4.52133 2.56708 -70.93914 1041.11500
1280.0000 -74.46063 -70.11348 4.34715 2.56487 -70.96187 1050.67726
1285.0000 -76.76405 -72.01154 4.75250 2.51847 -71.43927 1023.60720
1290.0000 -75.51017 -70.73927 4.77091 2.52366 -71.38590 977.07857
1295.0000 -75.43835 -71.48733 3.95102 2.49540 -71.67666 1008.77717
1300.0000 -75.54236 -71.31471 4.22765 2.53555 -71.26360 1036.87356
1305.0000 -75.79449 -72.71025 3.08425 2.50785 -71.54855 1026.43857
1310.0000 -76.76958 -70.67714 6.09245 2.49954 -71.63403 1000.88342
1315.0000 -75.40302 -70.56959 4.83343 2.55294 -71.08470 1079.01932
1320.0000 -75.52265 -71.59509 3.92757 2.59045 -70.69871 1062.48088
1325.0000 -75.54512 -70.51408 5.03105 2.56255 -70.98581 1043.15003
1330.0000 -75.90475 -71.94611 3.95865 2.53508 -71.26839 1021.84689
1335.0000 -75.98221 -71.69461 4.28760 2.45516 -72.09067 977.59976
1340.0000 -76.56319 -72.10748 4.45571 2.44221 -72.22387 990.96281
1345.0000 -76.05888 -71.94612 4.11276 2.40889 -72.56669 937.71760
1350.0000 -76.21792 -71.60243 4.61549 2.51462 -71.47891 1029.02299
1355.0000 -76.47985 -72.35359 4.12626 2.53201 -71.29997 1061.96537
1360.0000 -76.37210 -72.08751 4.28459 2.50264 -71.60212 988.26415
1365.0000 -75.79152 -70.85330 4.93821 2.52505 -71.37154 1039.67258
1370.0000 -75.05804 -71.08329 3.97475 2.57017 -70.90737 1104.41556
1375.0000 -76.70950 -71.91557 4.79393 2.52010 -71.42254 1064.87336
1380.0000 -76.14042 -71.98420 4.15622 2.39113 -72.74939 887.63496
1385.0000 -76.02707 -73.04502 2.98204 2.45496 -72.09266 994.76899
1390.0000 -75.86944 -70.90387 4.96557 2.44768 -72.16756 986.90059
1395.0000 -75.24810 -69.83151 5.41659 2.62288 -70.36507 1109.61260
1400.0000 -74.56937 -69.78568 4.78369 2.66364 -69.94577 1158.67271
1405.0000 -76.75871 -71.47454 5.28417 2.63857 -70.20367 1138.78168
1410.0000 -75.56889 -71.47105 4.09784 2.50006 -71.62866 1005.67351
1415.0000 -76.79660 -72.21692 4.57968 2.55010 -71.11390 1010.47159
1420.0000 -76.11056 -72.22614 3.88441 2.41679 -72.48540 931.63811
1425.0000 -76.90597 -71.72549 5.18048 2.42518 -72.39911 999.40633
1430.0000 -77.01985 -71.28557 5.73429 2.52762 -71.34519 1060.97308
1435.0000 -75.17776 -70.79288 4.38487 2.55398 -71.07395 1060.79490
1440.0000 -75.83019 -71.60422 4.22597 2.47304 -71.90670 979.11708
1445.0000 -77.12352 -73.96578 3.15774 2.40475 -72.60931 915.58661
1450.0000 -75.77805 -71.21278 4.56527 2.40688 -72.58739 968.44212
1455.0000 -74.52251 -69.53317 4.98935 2.54112 -71.20629 1055.49244
1460.0000 -76.05928 -71.06385 4.99543 2.65136 -70.07209 1166.41645
1465.0000 -76.03651 -72.27217 3.76433 2.54089 -71.20859 1032.76735
1470.0000 -75.96440 -71.97301 3.99138 2.40701 -72.58604 962.23706
1475.0000 -76.05918 -71.90138 4.15780 2.48935 -71.73883 980.54922
1480.0000 -76.23667 -70.32450 5.91217 2.49187 -71.71298 999.26704
1485.0000 -75.98635 -71.53916 4.44719 2.57637 -70.84360 1115.57162
1490.0000 -75.24063 -71.08015 4.16048 2.54084 -71.20912 1074.87101
1495.0000 -74.83166 -69.60168 5.22999 2.52939 -71.32695 1007.55965
1500.0000 -74.50816 -69.90949 4.59866 2.67557 -69.82303 1122.21580
FREEZING PROCESS: loop number 7 T-loop= 1019.0000000000000
main_MD> interactions number 7 at Temperature= 1019.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.39175 3.26437 -0.34898
force_rgl> df(natom) 0.77135 -0.07961 -1.67675
1505.0000 -76.02025 -70.96950 5.05075 2.63771 -70.21249 1090.70611
1510.0000 -73.75418 -70.25696 3.49723 2.61513 -70.44481 1101.70812
1515.0000 -75.73356 -71.77413 3.95943 2.59347 -70.66764 1095.68819
1520.0000 -75.52080 -71.12764 4.39316 2.51384 -71.48694 971.98011
1525.0000 -75.95746 -72.00809 3.94937 2.49316 -71.69966 990.39924
1530.0000 -76.65450 -72.74323 3.91128 2.42552 -72.39555 931.12141
1535.0000 -75.62116 -70.68014 4.94102 2.43048 -72.34460 983.73819
1540.0000 -76.09020 -71.25405 4.83615 2.49345 -71.69666 980.58479
1545.0000 -77.27586 -72.88431 4.39155 2.44055 -72.24099 984.35236
1550.0000 -76.60437 -72.60490 3.99947 2.33330 -73.34435 937.29496
1555.0000 -76.50665 -72.68817 3.81848 2.39760 -72.68282 958.87161
1560.0000 -76.51677 -71.37103 5.14575 2.43280 -72.32063 993.48699
1565.0000 -76.55393 -72.22908 4.32485 2.50702 -71.55704 1064.17222
1570.0000 -75.51056 -69.96159 5.54896 2.51985 -71.42506 1052.36312
1575.0000 -75.80092 -72.04568 3.75524 2.51710 -71.45333 1039.22730
1580.0000 -76.15941 -72.24377 3.91564 2.47356 -71.90133 996.07033
1585.0000 -76.61147 -72.09706 4.51441 2.43955 -72.25119 956.19099
1590.0000 -76.20299 -71.85021 4.35278 2.52838 -71.33735 1067.43893
1595.0000 -75.37491 -71.23447 4.14044 2.44502 -72.19496 916.10379
1600.0000 -76.01699 -71.90038 4.11661 2.48936 -71.73879 1008.82192
1605.0000 -74.37553 -69.89685 4.47868 2.64791 -70.10762 1160.63649
1610.0000 -76.33461 -71.30832 5.02629 2.60144 -70.58566 1033.82459
1615.0000 -77.15282 -71.92875 5.22407 2.48694 -71.76363 1032.61813
1620.0000 -76.52562 -71.99453 4.53110 2.43711 -72.27634 1019.04932
1625.0000 -76.38157 -71.79385 4.58773 2.42806 -72.36940 962.87383
1630.0000 -76.59448 -72.48757 4.10691 2.38214 -72.84188 936.12996
1635.0000 -75.87019 -71.13249 4.73770 2.45936 -72.04740 975.77217
1640.0000 -74.92610 -71.36419 3.56190 2.59029 -70.70040 1081.71948
1645.0000 -76.47770 -70.95913 5.51858 2.54094 -71.20811 1039.06161
1650.0000 -77.18901 -72.26123 4.92778 2.42147 -72.43720 955.27545
1655.0000 -76.23702 -71.80787 4.42914 2.47030 -71.93490 1001.11297
1660.0000 -74.66625 -69.60362 5.06263 2.62147 -70.37964 1190.36123
1665.0000 -75.86871 -71.25266 4.61605 2.58726 -70.73155 1118.41745
1670.0000 -77.51604 -73.63643 3.87961 2.42191 -72.43270 1027.06350
1675.0000 -76.81284 -73.04224 3.77059 2.34425 -73.23175 872.65996
1680.0000 -75.90453 -71.33405 4.57048 2.41144 -72.54047 941.92020
1685.0000 -76.48882 -71.02701 5.46181 2.58354 -70.76984 1057.57264
1690.0000 -76.01193 -71.53939 4.47254 2.56828 -70.92680 1070.37383
1695.0000 -76.00407 -71.78982 4.21425 2.50259 -71.60267 1009.54463
1700.0000 -76.20723 -71.56320 4.64403 2.41991 -72.45330 959.86780
1705.0000 -75.76498 -71.57374 4.19123 2.48193 -71.81517 1039.89007
1710.0000 -75.99970 -71.70480 4.29490 2.51364 -71.48895 1011.36887
1715.0000 -75.11755 -70.94645 4.17110 2.52641 -71.35759 987.83851
1720.0000 -76.92838 -71.67477 5.25362 2.44037 -72.24280 932.77341
1725.0000 -76.58655 -72.93781 3.64875 2.42156 -72.43635 958.48402
1730.0000 -77.58761 -74.26038 3.32723 2.40719 -72.58414 965.46381
1735.0000 -76.69536 -72.33652 4.35885 2.35790 -73.09131 929.39637
1740.0000 -75.80654 -72.00719 3.79935 2.47754 -71.86040 1009.27030
1745.0000 -76.81356 -71.98602 4.82754 2.41060 -72.54913 980.71538
1750.0000 -75.85199 -71.19305 4.65894 2.52593 -71.36250 1038.89249
FREEZING PROCESS: loop number 8 T-loop= 994.00000000000000
main_MD> interactions number 8 at Temperature= 994.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65412 3.10010 -1.39317
force_rgl> df(natom) 5.17158 -0.06695 -4.33463
1755.0000 -75.92564 -71.48939 4.43626 2.53309 -71.28885 1034.16164
1760.0000 -76.17069 -71.88663 4.28406 2.53111 -71.30928 1068.16232
1765.0000 -75.86958 -71.22386 4.64572 2.53716 -71.24695 1052.57390
1770.0000 -75.57294 -71.38723 4.18571 2.54993 -71.11559 1058.65813
1775.0000 -76.80675 -71.50270 5.30404 2.53318 -71.28798 1031.54820
1780.0000 -75.49011 -71.72012 3.77000 2.54477 -71.16875 1031.12779
1785.0000 -76.45797 -73.07070 3.38726 2.45161 -72.12719 949.52352
1790.0000 -77.33237 -72.91549 4.41689 2.33523 -73.32454 882.57942
1795.0000 -76.82730 -71.97703 4.85027 2.43150 -72.33404 1014.49011
1800.0000 -75.82414 -71.03755 4.78660 2.44848 -72.15938 1013.58030
1805.0000 -75.67983 -70.72717 4.95266 2.57521 -70.85556 1073.06231
1810.0000 -75.92938 -72.71678 3.21260 2.47433 -71.89336 1016.49165
1815.0000 -74.74871 -70.99161 3.75709 2.45232 -72.11984 988.57894
1820.0000 -76.40067 -71.24258 5.15808 2.53354 -71.28425 1000.90710
1825.0000 -77.42062 -73.02690 4.39372 2.39213 -72.73910 928.48106
1830.0000 -75.76825 -71.54820 4.22005 2.36737 -72.99380 861.61602
1835.0000 -76.61362 -72.64173 3.97189 2.50866 -71.54024 1061.87023
1840.0000 -75.76467 -70.81290 4.95177 2.48559 -71.77760 999.33388
1845.0000 -74.12673 -69.06629 5.06044 2.63882 -70.20104 1070.32494
1850.0000 -74.47578 -70.22616 4.24962 2.82334 -68.30267 1256.05856
1855.0000 -76.28025 -71.59624 4.68401 2.64709 -70.11600 1171.87965
1860.0000 -76.17625 -71.68279 4.49347 2.51806 -71.44346 1012.11157
1865.0000 -76.85392 -73.03414 3.81978 2.42144 -72.43758 937.29119
1870.0000 -76.67662 -72.46819 4.20843 2.38419 -72.82084 891.67449
1875.0000 -74.81662 -70.66194 4.15468 2.48337 -71.80035 988.63734
1880.0000 -76.64231 -72.26334 4.37897 2.49108 -71.72111 997.89419
1885.0000 -77.75156 -73.61711 4.13445 2.32642 -73.41517 936.82497
1890.0000 -77.56368 -73.89054 3.67314 2.25630 -74.13652 818.65168
1895.0000 -77.30544 -73.78066 3.52478 2.24926 -74.20900 807.36775
1900.0000 -75.41323 -72.45668 2.95655 2.33450 -73.33201 860.22552
1905.0000 -75.76312 -71.33291 4.43021 2.45789 -72.06256 964.81251
1910.0000 -77.34308 -72.32260 5.02047 2.50576 -71.57008 1037.54236
1915.0000 -76.69469 -71.90129 4.79339 2.46244 -72.01576 1033.22779
1920.0000 -76.81540 -71.69840 5.11700 2.45205 -72.12262 969.44707
1925.0000 -78.03270 -73.26374 4.76896 2.40543 -72.60227 943.04176
1930.0000 -76.41766 -72.06833 4.34933 2.39524 -72.70707 970.65667
1935.0000 -76.66074 -72.92441 3.73633 2.42419 -72.40925 957.25258
1940.0000 -75.54963 -71.13669 4.41294 2.48025 -71.83247 1033.42033
1945.0000 -74.89727 -70.76318 4.13409 2.51450 -71.48008 1024.85285
1950.0000 -75.97291 -72.30115 3.67177 2.45949 -72.04610 978.52909
1955.0000 -76.80170 -72.05638 4.74532 2.42680 -72.38245 918.60485
1960.0000 -75.45965 -71.90579 3.55386 2.47429 -71.89378 1042.43697
1965.0000 -76.78895 -72.20425 4.58470 2.41700 -72.48322 942.36494
1970.0000 -75.39540 -71.89579 3.49961 2.38804 -72.78121 951.30190
1975.0000 -75.35195 -71.64387 3.70808 2.47497 -71.88682 1003.51994
1980.0000 -75.85853 -71.93043 3.92810 2.38088 -72.85490 867.99328
1985.0000 -76.54540 -72.00136 4.54404 2.44607 -72.18421 1000.34849
1990.0000 -75.55098 -72.01136 3.53962 2.43836 -72.26345 978.04068
1995.0000 -75.27896 -70.38381 4.89515 2.54850 -71.13033 1064.40507
2000.0000 -75.43825 -70.74098 4.69727 2.60401 -70.55927 1060.66499
FREEZING PROCESS: loop number 9 T-loop= 969.00000000000000
main_MD> interactions number 9 at Temperature= 969.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70784 3.28298 1.03655
force_rgl> df(natom) 4.94489 -1.13441 -0.72638
2005.0000 -76.36807 -73.07110 3.29697 2.44906 -72.15339 991.09373
2010.0000 -76.41980 -71.89509 4.52472 2.34782 -73.19496 884.29175
2015.0000 -76.75870 -71.89541 4.86330 2.52824 -71.33877 1079.65748
2020.0000 -75.85329 -70.56305 5.29024 2.52374 -71.38505 1061.30176
2025.0000 -76.00705 -71.06987 4.93719 2.59901 -70.61069 1111.35485
2030.0000 -76.39360 -72.23694 4.15666 2.43777 -72.26951 930.81270
2035.0000 -76.37089 -71.94933 4.42156 2.44484 -72.19679 915.61457
2040.0000 -75.31378 -71.40567 3.90811 2.52669 -71.35470 1074.34662
2045.0000 -75.78197 -72.38517 3.39679 2.44095 -72.23679 948.97588
2050.0000 -76.04086 -71.95685 4.08400 2.42108 -72.44130 967.37939
2055.0000 -77.10550 -73.09121 4.01429 2.35767 -73.09365 931.27400
2060.0000 -75.95313 -71.87780 4.07534 2.46123 -72.02815 985.81827
2065.0000 -75.93659 -71.34496 4.59162 2.53830 -71.23529 1048.95961
2070.0000 -77.30681 -73.57321 3.73360 2.45537 -72.08844 1008.09556
2075.0000 -76.22221 -72.95130 3.27091 2.35005 -73.17201 864.55528
2080.0000 -78.07007 -74.25762 3.81245 2.33187 -73.35905 863.86035
2085.0000 -75.81477 -71.85952 3.95525 2.34969 -73.17575 911.24458
2090.0000 -75.85141 -71.99059 3.86081 2.49207 -71.71094 1021.10159
2095.0000 -75.74887 -71.23945 4.50942 2.47637 -71.87246 964.51281
2100.0000 -75.60503 -71.68856 3.91647 2.54216 -71.19561 1083.55604
2105.0000 -76.57991 -71.69108 4.88884 2.51725 -71.45184 1003.31275
2110.0000 -76.33074 -71.67528 4.65546 2.53676 -71.25112 1009.48109
2115.0000 -75.83150 -71.75703 4.07447 2.50611 -71.56646 1007.00521
2120.0000 -76.50659 -72.45388 4.05271 2.39609 -72.69840 944.21578
2125.0000 -77.30126 -71.82590 5.47535 2.39824 -72.67626 982.96223
2130.0000 -74.67365 -70.00148 4.67217 2.58606 -70.74386 1090.88377
2135.0000 -75.95701 -71.66418 4.29283 2.59098 -70.69331 1058.44794
2140.0000 -74.95647 -71.31622 3.64025 2.48816 -71.75114 1020.81817
2145.0000 -75.81386 -71.12796 4.68590 2.51935 -71.43021 1007.26183
2150.0000 -77.10191 -72.80221 4.29970 2.42698 -72.38055 933.74126
2155.0000 -75.77075 -72.99203 2.77872 2.39044 -72.75650 956.87519
2160.0000 -76.19331 -72.45269 3.74062 2.45499 -72.09238 958.82424
2165.0000 -77.11053 -72.97903 4.13149 2.38535 -72.80888 968.16699
2170.0000 -77.44336 -73.13514 4.30822 2.32152 -73.46555 848.83756
2175.0000 -75.46809 -71.28021 4.18788 2.46628 -71.97626 987.23645
2180.0000 -76.50780 -73.23566 3.27214 2.50141 -71.61482 1029.68974
2185.0000 -77.30343 -71.62625 5.67718 2.41554 -72.49826 986.11642
2190.0000 -76.94267 -73.06969 3.87298 2.41177 -72.53699 958.10289
2195.0000 -77.28982 -73.94923 3.34059 2.35614 -73.10937 896.46933
2200.0000 -77.22452 -73.18013 4.04439 2.29026 -73.78718 806.36115
2205.0000 -77.48780 -72.50016 4.98764 2.42941 -72.35553 1007.38826
2210.0000 -76.80541 -73.55221 3.25319 2.37295 -72.93645 934.42498
2215.0000 -76.25937 -72.10739 4.15198 2.42883 -72.36148 949.18710
2220.0000 -77.42953 -73.58762 3.84192 2.39411 -72.71872 949.41121
2225.0000 -76.31817 -71.15348 5.16469 2.42686 -72.38176 905.48657
2230.0000 -75.77584 -71.65856 4.11728 2.52743 -71.34711 1062.23230
2235.0000 -76.04060 -71.56313 4.47747 2.48763 -71.75659 1017.35210
2240.0000 -77.66947 -72.62804 5.04143 2.49401 -71.69090 1014.80481
2245.0000 -76.69328 -71.66336 5.02992 2.45212 -72.12191 955.83417
2250.0000 -76.58470 -72.13694 4.44777 2.49611 -71.66929 997.64931
FREEZING PROCESS: loop number 10 T-loop= 944.00000000000000
main_MD> interactions number 10 at Temperature= 944.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.80601 1.15921 3.85193
force_rgl> df(natom) 1.15272 2.41640 0.50631
2255.0000 -76.04341 -70.42239 5.62101 2.60492 -70.54991 1128.82744
2260.0000 -75.18610 -70.53439 4.65171 2.60770 -70.52129 1088.81076
2265.0000 -75.52195 -71.30434 4.21761 2.57949 -70.81146 1073.83228
2270.0000 -75.92304 -71.63957 4.28347 2.47864 -71.84911 1032.81878
2275.0000 -76.31321 -72.07077 4.24244 2.46000 -72.04087 976.17336
2280.0000 -75.90097 -71.89039 4.01058 2.45785 -72.06298 950.00073
2285.0000 -76.40401 -72.40742 3.99660 2.48015 -71.83349 971.03929
2290.0000 -76.06682 -72.39867 3.66815 2.43125 -72.33658 944.78961
2295.0000 -77.56256 -72.99611 4.56645 2.43933 -72.25351 974.46555
2300.0000 -78.09727 -74.71238 3.38489 2.31127 -73.57103 847.40982
2305.0000 -77.02704 -73.80089 3.22614 2.17297 -74.99392 716.66479
2310.0000 -75.52264 -72.13951 3.38313 2.36986 -72.96824 890.09319
2315.0000 -76.83130 -72.96828 3.86302 2.37453 -72.92023 909.11545
2320.0000 -77.33003 -73.67636 3.65368 2.36036 -73.06597 920.27709
2325.0000 -77.01140 -72.75529 4.25612 2.29539 -73.73442 864.28130
2330.0000 -76.70584 -72.51638 4.18946 2.38795 -72.78206 905.52715
2335.0000 -75.51710 -71.76292 3.75418 2.44976 -72.14616 1002.26149
2340.0000 -76.91493 -72.29402 4.62092 2.43089 -72.34035 997.91851
2345.0000 -76.79237 -72.51725 4.27513 2.40630 -72.59331 945.03665
2350.0000 -76.39087 -72.74095 3.64992 2.46317 -72.00820 1015.43774
2355.0000 -76.88735 -73.70906 3.17829 2.43439 -72.30432 973.73814
2360.0000 -76.59490 -71.94965 4.64525 2.36648 -73.00304 944.83535
2365.0000 -75.93284 -71.78384 4.14900 2.44649 -72.17981 1019.01124
2370.0000 -76.40105 -72.12623 4.27482 2.48221 -71.81234 1006.20857
2375.0000 -76.84616 -72.60994 4.23622 2.43904 -72.25643 981.87100
2380.0000 -76.60677 -72.42659 4.18018 2.44043 -72.24215 1016.32394
2385.0000 -76.48267 -71.58526 4.89740 2.40500 -72.60671 980.83416
2390.0000 -76.23184 -71.18812 5.04372 2.50326 -71.59574 1045.43150
2395.0000 -76.53280 -71.78441 4.74839 2.55294 -71.08470 1049.40484
2400.0000 -76.48731 -72.22046 4.26684 2.45890 -72.05217 1004.85314
2405.0000 -76.54071 -72.85501 3.68570 2.41046 -72.55055 923.38528
2410.0000 -78.02200 -73.95969 4.06230 2.35069 -73.16550 881.61116
2415.0000 -76.55213 -72.86722 3.68491 2.35967 -73.07306 888.36333
2420.0000 -76.48822 -72.95499 3.53323 2.36492 -73.01905 917.71060
2425.0000 -77.03224 -73.07241 3.95983 2.41952 -72.45735 933.51865
2430.0000 -77.04442 -73.13144 3.91298 2.37344 -72.93135 924.91780
2435.0000 -76.42067 -73.61174 2.80893 2.39130 -72.74766 953.18704
2440.0000 -75.05404 -71.15454 3.89951 2.47668 -71.86923 1000.71224
2445.0000 -77.52316 -73.48155 4.04161 2.43133 -72.33583 957.55396
2450.0000 -78.28786 -74.23750 4.05036 2.22811 -74.42660 825.45595
2455.0000 -78.04341 -75.07059 2.97282 2.17577 -74.96510 793.95638
2460.0000 -77.13688 -74.20407 2.93281 2.21234 -74.58884 795.18814
2465.0000 -77.71622 -73.43885 4.27737 2.22652 -74.44290 769.94717
2470.0000 -77.30605 -73.70188 3.60417 2.27810 -73.91230 867.56028
2475.0000 -77.42531 -73.74211 3.68320 2.26661 -74.03049 808.63296
2480.0000 -76.40536 -71.70527 4.70009 2.39690 -72.69005 894.31603
2485.0000 -76.99133 -72.60737 4.38396 2.35863 -73.08377 883.45213
2490.0000 -77.88379 -73.46616 4.41763 2.34426 -73.23158 917.56961
2495.0000 -76.60805 -72.80502 3.80303 2.35595 -73.11133 934.85014
2500.0000 -75.61062 -71.72636 3.88426 2.42586 -72.39209 968.11325
FREEZING PROCESS: loop number 11 T-loop= 919.00000000000000
main_MD> interactions number 11 at Temperature= 919.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09717 -0.71981 2.45413
force_rgl> df(natom) 0.95470 3.87657 -2.15958
2505.0000 -77.05359 -72.68978 4.36381 2.50099 -71.61915 1005.65879
2510.0000 -77.04907 -72.97080 4.07827 2.36897 -72.97734 917.86176
2515.0000 -77.63845 -73.69868 3.93977 2.37136 -72.95283 922.13768
2520.0000 -76.30405 -71.24389 5.06016 2.39309 -72.72922 957.03013
2525.0000 -76.61095 -72.40731 4.20364 2.47437 -71.89299 1026.91735
2530.0000 -76.35633 -71.19964 5.15670 2.46582 -71.98100 998.23878
2535.0000 -77.02649 -73.49095 3.53554 2.43521 -72.29585 930.03090
2540.0000 -76.57125 -72.67468 3.89657 2.38305 -72.83254 936.03554
2545.0000 -76.56830 -72.74225 3.82606 2.37039 -72.96282 874.94005
2550.0000 -77.19608 -73.21247 3.98361 2.38091 -72.85452 942.53208
2555.0000 -78.20381 -73.90309 4.30073 2.28725 -73.81816 830.64637
2560.0000 -76.65265 -71.65220 5.00045 2.35722 -73.09827 919.86479
2565.0000 -76.21611 -71.91254 4.30357 2.52027 -71.42079 1030.05336
2570.0000 -76.37392 -72.64096 3.73296 2.35957 -73.07407 888.43187
2575.0000 -78.01849 -74.04216 3.97633 2.27875 -73.90556 846.82071
2580.0000 -77.14282 -74.44870 2.69412 2.25088 -74.19236 773.28250
2585.0000 -77.04726 -73.56029 3.48697 2.26725 -74.02386 817.67868
2590.0000 -77.17189 -73.56954 3.60236 2.32539 -73.42572 861.33637
2595.0000 -77.07203 -74.18129 2.89074 2.32816 -73.39727 857.48549
2600.0000 -78.66079 -74.43915 4.22164 2.22622 -74.44605 856.07558
2605.0000 -77.95276 -74.09701 3.85575 2.28695 -73.82123 861.70584
2610.0000 -78.02939 -74.50300 3.52639 2.22172 -74.49238 795.39478
2615.0000 -77.12809 -73.72296 3.40513 2.28171 -73.87512 847.64152
2620.0000 -75.72642 -72.46700 3.25941 2.36949 -72.97200 896.57444
2625.0000 -76.89728 -72.87523 4.02206 2.44953 -72.14852 945.09357
2630.0000 -77.39991 -73.14258 4.25734 2.39815 -72.67716 920.67523
2635.0000 -77.97961 -74.41485 3.56476 2.29012 -73.78866 832.83939
2640.0000 -77.50953 -74.29502 3.21451 2.21025 -74.61039 754.74739
2645.0000 -78.48348 -74.72055 3.76293 2.21965 -74.51360 744.44623
2650.0000 -77.35332 -73.76503 3.58828 2.23293 -74.37695 776.28525
2655.0000 -76.75973 -72.52962 4.23011 2.33259 -73.35168 846.65806
2660.0000 -76.50640 -71.56735 4.93906 2.44324 -72.21329 1002.17163
2665.0000 -76.43383 -72.40978 4.02405 2.48630 -71.77029 1038.04886
2670.0000 -76.78035 -71.98165 4.79870 2.40651 -72.59117 980.56843
2675.0000 -75.39074 -70.92844 4.46229 2.51568 -71.46803 1037.78367
2680.0000 -75.63727 -71.13159 4.50568 2.56679 -70.94215 1075.34316
2685.0000 -76.71756 -72.50197 4.21560 2.39536 -72.70588 928.44531
2690.0000 -75.93235 -72.60491 3.32745 2.44291 -72.21663 981.31231
2695.0000 -75.98917 -71.29525 4.69392 2.50438 -71.58424 999.74965
2700.0000 -76.23726 -71.95996 4.27730 2.54034 -71.21424 1077.43308
2705.0000 -76.04323 -72.42868 3.61454 2.41682 -72.48510 952.13365
2710.0000 -76.74972 -72.33730 4.41242 2.44905 -72.15353 992.40773
2715.0000 -75.40960 -71.21374 4.19586 2.48184 -71.81615 1011.11325
2720.0000 -75.41177 -71.36250 4.04927 2.51488 -71.47624 1036.35489
2725.0000 -76.42251 -72.88103 3.54148 2.43169 -72.33205 933.87181
2730.0000 -75.83102 -70.63497 5.19605 2.43342 -72.31427 968.87189
2735.0000 -77.18009 -72.98531 4.19477 2.45147 -72.12861 992.83965
2740.0000 -77.70433 -73.17857 4.52576 2.34422 -73.23203 865.69406
2745.0000 -76.33808 -71.60523 4.73284 2.41516 -72.50214 961.19684
2750.0000 -77.08289 -72.80624 4.27666 2.47331 -71.90387 977.11590
FREEZING PROCESS: loop number 12 T-loop= 894.00000000000000
main_MD> interactions number 12 at Temperature= 894.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.87027 -1.24817 -1.94155
force_rgl> df(natom) -1.38200 -0.88532 -0.77830
2755.0000 -76.05293 -72.01330 4.03964 2.40144 -72.64333 945.45522
2760.0000 -76.31130 -71.79155 4.51975 2.49449 -71.68598 997.14448
2765.0000 -77.55514 -74.05739 3.49775 2.34830 -73.19006 883.36707
2770.0000 -77.46259 -73.87420 3.58839 2.28357 -73.85598 815.86278
2775.0000 -77.17315 -73.99714 3.17601 2.27087 -73.98664 861.49282
2780.0000 -76.60861 -73.98930 2.61931 2.27759 -73.91748 839.13470
2785.0000 -77.34086 -74.64125 2.69961 2.23751 -74.32983 764.58492
2790.0000 -77.94261 -74.04843 3.89418 2.27460 -73.94830 869.74791
2795.0000 -77.29719 -74.47280 2.82439 2.25197 -74.18113 811.20630
2800.0000 -78.05794 -74.99308 3.06486 2.21607 -74.55051 746.47825
2805.0000 -76.75830 -73.59896 3.15934 2.25747 -74.12453 790.98007
2810.0000 -78.02443 -74.05538 3.96905 2.33604 -73.31620 858.60668
2815.0000 -76.92013 -73.25783 3.66230 2.29242 -73.76496 841.42623
2820.0000 -77.43488 -73.52936 3.90552 2.36528 -73.01534 944.79256
2825.0000 -78.08239 -73.48031 4.60208 2.31989 -73.48232 880.70195
2830.0000 -77.56134 -74.41191 3.14943 2.29266 -73.76249 838.54840
2835.0000 -77.16364 -73.20955 3.95409 2.31027 -73.58129 891.02693
2840.0000 -77.32118 -73.35327 3.96791 2.34548 -73.21904 898.17060
2845.0000 -77.14238 -72.61785 4.52453 2.36236 -73.04538 929.40690
2850.0000 -76.34066 -72.22593 4.11473 2.41717 -72.48146 951.63971
2855.0000 -76.39751 -72.86405 3.53346 2.40257 -72.63167 931.89769
2860.0000 -76.55182 -72.05644 4.49537 2.35373 -73.13414 889.77239
2865.0000 -77.76272 -73.87517 3.88755 2.40870 -72.56865 936.40134
2870.0000 -76.96124 -72.83442 4.12682 2.31961 -73.48523 856.50776
2875.0000 -77.01707 -73.82920 3.18787 2.33149 -73.36300 869.77359
2880.0000 -77.29363 -73.57404 3.71959 2.32295 -73.45084 906.41930
2885.0000 -76.82053 -73.95314 2.86739 2.31616 -73.52070 840.76563
2890.0000 -76.89433 -72.11018 4.78415 2.41808 -72.47210 923.68715
2895.0000 -76.01194 -71.32312 4.68882 2.48128 -71.82190 1016.69819
2900.0000 -76.27673 -72.45958 3.81715 2.46647 -71.97429 922.61040
2905.0000 -77.73587 -74.18538 3.55048 2.29381 -73.75061 839.62421
2910.0000 -77.60849 -73.96149 3.64700 2.30532 -73.63222 901.42047
2915.0000 -77.10555 -73.78595 3.31960 2.32163 -73.46441 878.91845
2920.0000 -76.06610 -71.77568 4.29042 2.40068 -72.65114 923.84975
2925.0000 -75.95636 -71.61102 4.34534 2.46106 -72.02990 994.90442
2930.0000 -75.93388 -71.39616 4.53772 2.51660 -71.45857 1003.76147
2935.0000 -75.99615 -72.37921 3.61694 2.46162 -72.02420 986.40296
2940.0000 -76.14200 -71.19206 4.94994 2.46891 -71.94918 1077.04439
2945.0000 -75.31262 -71.53895 3.77367 2.50268 -71.60169 1040.04998
2950.0000 -76.51429 -71.66509 4.84920 2.47936 -71.84170 961.02995
2955.0000 -77.45840 -73.14345 4.31494 2.39596 -72.69973 962.44265
2960.0000 -76.92697 -72.73101 4.19595 2.40466 -72.61015 971.12425
2965.0000 -77.99943 -73.99057 4.00886 2.27532 -73.94090 860.62192
2970.0000 -77.62035 -74.33808 3.28227 2.21513 -74.56012 800.95169
2975.0000 -77.07003 -73.35113 3.71890 2.31367 -73.54631 860.58111
2980.0000 -77.80847 -73.57686 4.23162 2.33085 -73.36962 914.02338
2985.0000 -76.39335 -73.13407 3.25929 2.31950 -73.48632 831.87392
2990.0000 -76.47545 -72.88500 3.59045 2.36416 -73.02684 865.24522
2995.0000 -77.09636 -73.23549 3.86087 2.37347 -72.93113 952.69016
3000.0000 -76.53423 -73.14628 3.38796 2.33890 -73.28679 907.47485
FREEZING PROCESS: loop number 13 T-loop= 869.00000000000000
main_MD> interactions number 13 at Temperature= 869.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.96299 -0.92686 -0.13329
force_rgl> df(natom) -0.29560 0.54828 -5.30522
3005.0000 -76.39515 -72.96710 3.42806 2.38234 -72.83980 900.48312
3010.0000 -77.76510 -74.19620 3.56889 2.36761 -72.99132 907.46108
3015.0000 -77.41283 -73.65364 3.75919 2.28681 -73.82263 855.27697
3020.0000 -77.54999 -74.21616 3.33382 2.23626 -74.34278 835.73454
3025.0000 -77.78527 -73.98022 3.80505 2.29801 -73.70748 852.19432
3030.0000 -77.66968 -74.78154 2.88814 2.25909 -74.10784 819.63564
3035.0000 -76.67189 -73.02251 3.64938 2.25882 -74.11062 789.10861
3040.0000 -76.89995 -73.29615 3.60380 2.31606 -73.52172 869.35801
3045.0000 -77.16661 -73.19383 3.97277 2.30663 -73.61873 888.01575
3050.0000 -77.78320 -75.02573 2.75747 2.30443 -73.64139 858.39013
3055.0000 -77.62535 -74.37689 3.24847 2.20781 -74.63546 787.49799
3060.0000 -78.77267 -75.21975 3.55292 2.18912 -74.82769 765.36563
3065.0000 -77.33963 -74.30014 3.03949 2.15494 -75.17943 754.07263
3070.0000 -76.29283 -72.79891 3.49393 2.31384 -73.54455 892.47059
3075.0000 -77.56573 -73.50491 4.06081 2.35051 -73.16734 884.28617
3080.0000 -76.95451 -73.71434 3.24018 2.30520 -73.63348 851.03541
3085.0000 -77.28421 -73.97078 3.31343 2.34859 -73.18701 885.39568
3090.0000 -78.40181 -75.32873 3.07308 2.20796 -74.63394 752.01261
3095.0000 -77.38713 -74.00651 3.38062 2.19388 -74.77871 787.68523
3100.0000 -77.82285 -74.88451 2.93834 2.25556 -74.14417 845.28535
3105.0000 -77.77788 -74.85246 2.92542 2.18553 -74.86464 792.93054
3110.0000 -77.92714 -74.14341 3.78372 2.20441 -74.67041 839.54548
3115.0000 -76.37513 -72.46883 3.90630 2.35168 -73.15531 898.47007
3120.0000 -77.02549 -73.14177 3.88372 2.38107 -72.85290 913.87411
3125.0000 -78.12176 -74.23587 3.88589 2.38609 -72.80124 952.89576
3130.0000 -77.34027 -74.22133 3.11893 2.25190 -74.18187 797.00767
3135.0000 -78.00412 -74.93729 3.06683 2.17343 -74.98912 709.75624
3140.0000 -78.03505 -74.65206 3.38299 2.19091 -74.80934 784.31269
3145.0000 -76.49579 -72.28464 4.21116 2.28545 -73.83669 878.99489
3150.0000 -77.17432 -73.20070 3.97362 2.37180 -72.94826 925.16802
3155.0000 -76.99334 -73.38733 3.60601 2.38524 -72.80996 906.24111
3160.0000 -75.75416 -72.90710 2.84706 2.35090 -73.16330 896.47577
3165.0000 -77.03731 -73.01758 4.01972 2.33479 -73.32902 887.40694
3170.0000 -76.43421 -73.42705 3.00716 2.35768 -73.09357 881.69116
3175.0000 -76.81627 -73.18633 3.62994 2.32012 -73.48000 807.58004
3180.0000 -76.33307 -72.60750 3.72557 2.39116 -72.74907 889.68378
3185.0000 -76.16517 -72.21987 3.94530 2.41723 -72.48084 947.47260
3190.0000 -75.55383 -71.10383 4.44999 2.45832 -72.05808 992.51438
3195.0000 -76.73160 -72.13585 4.59575 2.45161 -72.12717 981.17067
3200.0000 -76.96074 -73.03918 3.92156 2.36764 -72.99107 956.08740
3205.0000 -76.14471 -71.94208 4.20263 2.43109 -72.33830 954.51487
3210.0000 -77.81453 -73.60241 4.21212 2.34664 -73.20710 913.12236
3215.0000 -78.36122 -75.01296 3.34826 2.27220 -73.97296 853.20117
3220.0000 -78.35945 -74.83676 3.52269 2.18099 -74.91135 750.52545
3225.0000 -77.07470 -74.15986 2.91484 2.24327 -74.27065 826.89826
3230.0000 -78.38237 -74.25478 4.12759 2.25529 -74.14698 794.90544
3235.0000 -78.63861 -75.00761 3.63100 2.18376 -74.88283 777.43558
3240.0000 -78.41989 -74.53874 3.88115 2.20039 -74.71178 817.68896
3245.0000 -76.84350 -73.68828 3.15521 2.23691 -74.33602 822.58417
3250.0000 -76.92770 -73.14766 3.78004 2.33429 -73.33417 909.15283
FREEZING PROCESS: loop number 14 T-loop= 844.00000000000000
main_MD> interactions number 14 at Temperature= 844.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26741 -1.31948 2.32897
force_rgl> df(natom) 3.65699 -5.86063 -6.14949
3255.0000 -76.95090 -73.57418 3.37672 2.26985 -73.99717 862.31199
3260.0000 -77.75630 -73.93431 3.82198 2.26927 -74.00315 813.14169
3265.0000 -77.82949 -74.92622 2.90327 2.27409 -73.95349 790.85024
3270.0000 -77.74326 -73.54111 4.20215 2.18854 -74.83374 744.96085
3275.0000 -77.33165 -73.48772 3.84393 2.32940 -73.38444 891.97980
3280.0000 -78.09478 -73.77383 4.32094 2.29099 -73.77970 827.85236
3285.0000 -76.75302 -73.73054 3.02247 2.26528 -74.04417 852.06033
3290.0000 -76.26876 -71.99528 4.27348 2.35255 -73.14631 893.59093
3295.0000 -76.31797 -72.78154 3.53643 2.38333 -72.82966 912.42155
3300.0000 -77.55719 -74.00211 3.55508 2.31133 -73.57039 910.67253
3305.0000 -77.80741 -73.99441 3.81300 2.31761 -73.50583 885.20947
3310.0000 -77.28284 -74.22959 3.05325 2.23108 -74.39604 845.39843
3315.0000 -76.31125 -72.72945 3.58180 2.30256 -73.66061 882.88039
3320.0000 -77.12164 -73.72036 3.40128 2.29559 -73.73236 847.90407
3325.0000 -77.41992 -72.35553 5.06439 2.30495 -73.63609 819.41353
3330.0000 -78.43523 -75.08514 3.35008 2.30813 -73.60330 881.09173
3335.0000 -78.28285 -75.11226 3.17058 2.17772 -74.94504 735.56324
3340.0000 -78.85518 -75.15903 3.69615 2.15466 -75.18224 759.32550
3345.0000 -78.50022 -76.13301 2.36721 2.11737 -75.56588 725.66241
3350.0000 -78.35823 -75.67157 2.68666 2.06001 -76.15605 667.09614
3355.0000 -78.63345 -75.42321 3.21024 2.15036 -75.22647 725.74023
3360.0000 -78.46945 -75.22278 3.24667 2.19589 -74.75813 806.17280
3365.0000 -78.27658 -74.75699 3.51959 2.17596 -74.96316 733.10549
3370.0000 -77.62015 -74.91881 2.70134 2.17970 -74.92465 740.76105
3375.0000 -78.46585 -74.21647 4.24938 2.24803 -74.22166 795.63905
3380.0000 -77.38678 -74.72572 2.66106 2.24992 -74.20216 800.42090
3385.0000 -78.32665 -75.09113 3.23552 2.17266 -74.99703 753.35782
3390.0000 -77.81575 -74.56892 3.24683 2.19929 -74.72309 788.83427
3395.0000 -77.38600 -73.59067 3.79533 2.30191 -73.66727 880.51083
3400.0000 -76.50393 -72.38411 4.11982 2.33802 -73.29578 931.16993
3405.0000 -77.86739 -73.63808 4.22931 2.33443 -73.33278 884.25679
3410.0000 -76.86526 -73.55947 3.30579 2.34508 -73.22321 905.94968
3415.0000 -78.46509 -74.94551 3.51958 2.25242 -74.17644 811.46395
3420.0000 -78.70682 -75.07826 3.62856 2.13343 -75.40065 683.84500
3425.0000 -76.44461 -72.86114 3.58347 2.25227 -74.17804 824.76980
3430.0000 -77.02699 -73.04875 3.97824 2.40537 -72.60291 957.27871
3435.0000 -76.71977 -73.28818 3.43159 2.34836 -73.18940 880.32508
3440.0000 -77.67858 -74.36618 3.31239 2.32655 -73.41379 850.11527
3445.0000 -77.12227 -73.84819 3.27408 2.23848 -74.31988 808.85041
3450.0000 -77.77657 -73.97286 3.80371 2.29782 -73.70940 824.28257
3455.0000 -75.98662 -72.51858 3.46804 2.27334 -73.96129 829.17504
3460.0000 -77.12899 -73.51755 3.61143 2.37063 -72.96028 890.09949
3465.0000 -76.55275 -72.65183 3.90092 2.33216 -73.35610 845.50381
3470.0000 -77.29024 -74.50213 2.78811 2.31118 -73.57192 848.14893
3475.0000 -76.96641 -74.14326 2.82315 2.24000 -74.30421 765.88822
3480.0000 -77.90029 -74.30225 3.59804 2.26368 -74.06066 838.58607
3485.0000 -77.63328 -73.69790 3.93538 2.29332 -73.75569 855.07760
3490.0000 -78.65431 -74.76438 3.88993 2.18916 -74.82733 791.12279
3495.0000 -78.67771 -75.81523 2.86248 2.14591 -75.27227 759.74751
3500.0000 -78.14804 -74.16670 3.98134 2.16204 -75.10630 758.88051
FREEZING PROCESS: loop number 15 T-loop= 819.00000000000000
main_MD> interactions number 15 at Temperature= 819.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38713 -1.30147 1.98232
force_rgl> df(natom) 1.06639 1.69027 -2.13522
3505.0000 -77.54989 -73.73422 3.81567 2.26042 -74.09412 818.10640
3510.0000 -77.94036 -75.42823 2.51213 2.23537 -74.35188 811.68149
3515.0000 -78.42550 -75.32638 3.09912 2.19238 -74.79416 795.37883
3520.0000 -77.61766 -73.36548 4.25219 2.21017 -74.61118 788.24957
3525.0000 -78.03247 -74.66170 3.37077 2.29437 -73.74490 854.23739
3530.0000 -77.33876 -74.06083 3.27793 2.21683 -74.54261 788.75145
3535.0000 -76.39278 -73.12495 3.26783 2.32475 -73.43237 870.40680
3540.0000 -77.58018 -73.44458 4.13560 2.33408 -73.33636 868.55527
3545.0000 -77.56246 -73.58268 3.97978 2.30510 -73.63453 859.46127
3550.0000 -77.06324 -74.47807 2.58516 2.29541 -73.73419 851.05468
3555.0000 -78.21328 -74.68047 3.53281 2.25670 -74.13245 821.80797
3560.0000 -77.78242 -74.21367 3.56875 2.23349 -74.37124 806.13647
3565.0000 -77.83032 -74.19123 3.63908 2.24498 -74.25303 813.50536
3570.0000 -77.14257 -72.47425 4.66832 2.33648 -73.31162 888.19340
3575.0000 -76.34678 -73.12503 3.22176 2.30854 -73.59912 852.28214
3580.0000 -76.79523 -73.34100 3.45423 2.36260 -73.04293 889.45479
3585.0000 -76.67761 -72.88628 3.79133 2.40003 -72.65779 925.28601
3590.0000 -78.37652 -75.25108 3.12544 2.26699 -74.02659 811.99302
3595.0000 -77.64324 -74.77456 2.86868 2.25182 -74.18268 794.67187
3600.0000 -78.03095 -74.65030 3.38065 2.21859 -74.52448 773.67201
3605.0000 -78.04580 -74.06571 3.98010 2.32050 -73.47610 908.26950
3610.0000 -77.00133 -73.93161 3.06972 2.27316 -73.96307 857.52356
3615.0000 -77.08471 -73.42383 3.66088 2.30967 -73.58746 895.98496
3620.0000 -77.99366 -74.30402 3.68964 2.29625 -73.72557 876.55925
3625.0000 -76.87132 -73.92407 2.94725 2.28297 -73.86214 787.57336
3630.0000 -77.82217 -74.62587 3.19630 2.19412 -74.77628 710.37259
3635.0000 -77.19216 -73.88429 3.30787 2.27286 -73.96618 746.57183
3640.0000 -77.85312 -74.81078 3.04234 2.25631 -74.13651 767.92271
3645.0000 -77.87641 -74.20192 3.67448 2.22671 -74.44098 725.93884
3650.0000 -77.53015 -74.69709 2.83305 2.18252 -74.89567 755.53158
3655.0000 -77.08670 -73.44507 3.64163 2.26811 -74.01509 780.87706
3660.0000 -78.00173 -73.85362 4.14811 2.29544 -73.73385 875.23183
3665.0000 -77.92975 -73.66458 4.26517 2.32149 -73.46585 903.66531
3670.0000 -77.35409 -74.90425 2.44984 2.24002 -74.30401 825.25197
3675.0000 -77.82067 -75.04033 2.78035 2.21292 -74.58289 758.13017
3680.0000 -77.53771 -73.54379 3.99392 2.22111 -74.49861 776.10351
3685.0000 -77.95058 -73.81610 4.13448 2.29529 -73.73540 846.80709
3690.0000 -77.78174 -74.84507 2.93667 2.24801 -74.22181 822.08412
3695.0000 -76.82571 -73.45008 3.37563 2.26310 -74.06665 857.20840
3700.0000 -77.78327 -73.09006 4.69322 2.37782 -72.88633 890.15559
3705.0000 -77.74372 -74.82883 2.91489 2.26208 -74.07711 787.70623
3710.0000 -78.16483 -73.27567 4.88916 2.28007 -73.89206 852.26670
3715.0000 -77.52930 -74.06326 3.46604 2.33428 -73.33428 891.99997
3720.0000 -77.96445 -74.27732 3.68713 2.21328 -74.57915 782.79183
3725.0000 -77.43703 -74.25116 3.18587 2.18157 -74.90540 742.97198
3730.0000 -76.71354 -73.34741 3.36613 2.29845 -73.70294 845.99494
3735.0000 -76.29982 -72.09733 4.20249 2.38969 -72.76422 891.93058
3740.0000 -76.35448 -72.50870 3.84578 2.47872 -71.84824 1009.48528
3745.0000 -76.47037 -72.59229 3.87808 2.37698 -72.89493 907.73441
3750.0000 -77.40727 -73.73315 3.67412 2.37786 -72.88587 946.03183
FREEZING PROCESS: loop number 16 T-loop= 794.00000000000000
main_MD> interactions number 16 at Temperature= 794.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19589 0.47311 -2.74400
force_rgl> df(natom) -1.16379 -0.56826 0.33768
3755.0000 -76.97372 -73.59142 3.38229 2.31360 -73.54705 878.83243
3760.0000 -76.97451 -72.67661 4.29790 2.38898 -72.77148 884.51110
3765.0000 -78.49478 -74.85397 3.64081 2.28654 -73.82545 833.17693
3770.0000 -76.99188 -74.02867 2.96322 2.22543 -74.45420 815.50645
3775.0000 -78.26999 -75.44219 2.82780 2.23671 -74.33814 813.20394
3780.0000 -78.02724 -75.16656 2.86068 2.13497 -75.38485 710.06404
3785.0000 -77.81266 -74.75884 3.05383 2.19182 -74.79998 729.59700
3790.0000 -77.43282 -74.11576 3.31706 2.22793 -74.42846 777.12137
3795.0000 -77.78741 -74.29351 3.49390 2.25589 -74.14079 804.67149
3800.0000 -76.97663 -74.15271 2.82392 2.20329 -74.68191 755.36803
3805.0000 -78.16260 -73.81716 4.34544 2.22309 -74.47827 772.72993
3810.0000 -77.20899 -73.18098 4.02801 2.31759 -73.50598 856.27756
3815.0000 -77.88687 -74.80597 3.08090 2.25038 -74.19747 785.29956
3820.0000 -78.33118 -75.68013 2.65105 2.11713 -75.56836 696.91174
3825.0000 -77.43682 -75.53900 1.89782 2.09767 -75.76859 668.49009
3830.0000 -76.98726 -73.58845 3.39881 2.25491 -74.15083 840.01063
3835.0000 -76.71038 -73.00040 3.70998 2.31640 -73.51827 860.10501
3840.0000 -77.02736 -72.51705 4.51031 2.37152 -72.95111 933.07841
3845.0000 -76.88343 -72.77103 4.11240 2.40298 -72.62750 900.71668
3850.0000 -76.60902 -73.00604 3.60298 2.35524 -73.11865 846.18760
3855.0000 -78.78264 -75.36435 3.41829 2.26651 -74.03148 804.93599
3860.0000 -78.23568 -74.25954 3.97614 2.22127 -74.49694 775.61797
3865.0000 -77.53584 -74.08402 3.45182 2.25735 -74.12577 811.53741
3870.0000 -77.39680 -74.35710 3.03970 2.25819 -74.11708 749.36429
3875.0000 -77.15231 -74.71464 2.43767 2.20691 -74.64468 796.40313
3880.0000 -77.29073 -74.11809 3.17264 2.23084 -74.39848 825.27729
3885.0000 -77.72856 -73.73104 3.99752 2.27522 -73.94189 875.90667
3890.0000 -77.27139 -73.20423 4.06716 2.30155 -73.67104 841.75995
3895.0000 -77.27262 -74.02482 3.24780 2.28100 -73.88242 841.20163
3900.0000 -77.25993 -73.42587 3.83406 2.30393 -73.64656 825.07595
3905.0000 -77.65980 -73.82499 3.83481 2.28641 -73.82676 867.07624
3910.0000 -77.96145 -73.94846 4.01299 2.24334 -74.26990 794.97681
3915.0000 -76.91287 -73.80947 3.10341 2.31150 -73.56864 824.00108
3920.0000 -77.39231 -74.41720 2.97511 2.23139 -74.39284 784.18841
3925.0000 -78.28119 -73.92485 4.35635 2.26430 -74.05422 780.51520
3930.0000 -76.92732 -73.66197 3.26535 2.28402 -73.85140 851.98586
3935.0000 -77.93512 -74.41072 3.52440 2.22622 -74.44602 784.49364
3940.0000 -78.20482 -74.83211 3.37271 2.21554 -74.55593 785.01977
3945.0000 -78.66967 -74.80416 3.86551 2.14912 -75.23928 758.31220
3950.0000 -78.64800 -75.94088 2.70711 2.13021 -75.43382 683.87880
3955.0000 -78.20907 -74.79117 3.41790 2.14429 -75.28900 720.95148
3960.0000 -77.57587 -74.33407 3.24180 2.21749 -74.53585 791.97554
3965.0000 -78.66690 -75.26479 3.40211 2.21114 -74.60118 795.54797
3970.0000 -78.87094 -75.43261 3.43833 2.12515 -75.48583 658.59238
3975.0000 -77.87718 -74.15002 3.72716 2.12867 -75.44970 704.66752
3980.0000 -78.26786 -75.38475 2.88311 2.21174 -74.59504 822.77108
3985.0000 -78.07588 -74.34466 3.73122 2.18411 -74.87930 779.16277
3990.0000 -75.74525 -72.02398 3.72127 2.35120 -73.16017 963.39670
3995.0000 -78.10144 -74.66005 3.44140 2.32344 -73.44576 878.67360
4000.0000 -76.63654 -73.34166 3.29488 2.26903 -74.00555 819.23889
FREEZING PROCESS: loop number 17 T-loop= 769.00000000000000
main_MD> interactions number 17 at Temperature= 769.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18241 6.02573 3.18820
force_rgl> df(natom) -3.10133 -1.94268 0.70569
4005.0000 -77.61179 -74.27808 3.33371 2.23904 -74.31415 786.52843
4010.0000 -78.00295 -74.34458 3.65837 2.25080 -74.19311 809.87875
4015.0000 -78.20115 -75.04829 3.15286 2.16378 -75.08842 738.71413
4020.0000 -79.03598 -75.76079 3.27519 2.17082 -75.01599 754.41435
4025.0000 -79.30414 -76.21782 3.08632 2.08552 -75.89360 679.61801
4030.0000 -78.06093 -74.74560 3.31534 2.10450 -75.69836 688.92855
4035.0000 -78.31430 -74.81115 3.50315 2.18286 -74.89213 753.69042
4040.0000 -78.31150 -75.23236 3.07914 2.20353 -74.67945 751.57052
4045.0000 -77.45596 -74.76955 2.68641 2.20392 -74.67549 759.83995
4050.0000 -78.11592 -74.49075 3.62517 2.16279 -75.09865 736.82253
4055.0000 -77.62622 -73.82856 3.79765 2.25938 -74.10482 856.87267
4060.0000 -78.11604 -74.35955 3.75649 2.20664 -74.64747 798.01517
4065.0000 -76.98002 -73.77378 3.20624 2.27426 -73.95176 830.86354
4070.0000 -77.65583 -74.87861 2.77722 2.22469 -74.46177 735.74931
4075.0000 -78.82293 -75.40783 3.41511 2.14373 -75.29467 732.57942
4080.0000 -78.61455 -74.98031 3.63424 2.13113 -75.42431 694.20569
4085.0000 -77.51262 -75.24221 2.27041 2.16079 -75.11916 737.20337
4090.0000 -77.97155 -75.03826 2.93328 2.18720 -74.84746 768.33468
4095.0000 -78.41109 -74.53680 3.87429 2.14756 -75.25530 751.97835
4100.0000 -77.18266 -74.12944 3.05322 2.29531 -73.73518 878.35723
4105.0000 -77.09257 -73.48114 3.61143 2.27808 -73.91249 821.65655
4110.0000 -76.48320 -72.28184 4.20136 2.31345 -73.54859 875.20498
4115.0000 -76.54043 -73.18443 3.35600 2.38112 -72.85235 929.74267
4120.0000 -77.69512 -73.90316 3.79196 2.28948 -73.79521 862.39724
4125.0000 -77.48761 -74.36065 3.12696 2.24918 -74.20985 770.51097
4130.0000 -78.69300 -74.89139 3.80161 2.25599 -74.13973 817.06286
4135.0000 -76.93694 -73.17447 3.76247 2.25102 -74.19092 778.62690
4140.0000 -78.16319 -73.55918 4.60401 2.32302 -73.45014 854.68533
4145.0000 -78.78253 -75.00503 3.77750 2.24372 -74.26596 786.57076
4150.0000 -79.01032 -76.05985 2.95047 2.12010 -75.53779 708.49473
4155.0000 -77.85451 -74.96961 2.88490 2.16287 -75.09776 754.13663
4160.0000 -78.38218 -75.02313 3.35905 2.15191 -75.21054 717.77180
4165.0000 -78.64986 -74.24657 4.40329 2.20500 -74.66430 766.49106
4170.0000 -78.85383 -75.50438 3.34945 2.18586 -74.86122 777.51474
4175.0000 -78.72521 -75.40191 3.32330 2.14504 -75.28126 712.30027
4180.0000 -77.71514 -73.62227 4.09288 2.20935 -74.61956 772.14069
4185.0000 -77.63324 -74.34901 3.28423 2.27889 -73.90416 870.11458
4190.0000 -78.94162 -75.47844 3.46318 2.18992 -74.81948 759.93935
4195.0000 -78.51934 -74.53487 3.98447 2.20625 -74.65144 784.03822
4200.0000 -77.87242 -74.59503 3.27739 2.24914 -74.21022 791.92611
4205.0000 -78.32838 -75.03593 3.29245 2.18439 -74.87639 745.65814
4210.0000 -77.51834 -74.61008 2.90826 2.25064 -74.19474 818.17559
4215.0000 -77.71843 -74.98278 2.73565 2.17985 -74.92310 748.76306
4220.0000 -78.62825 -75.29858 3.32967 2.15741 -75.15394 721.82585
4225.0000 -77.79329 -74.74216 3.05113 2.14928 -75.23758 706.05189
4230.0000 -78.53470 -74.78171 3.75299 2.19363 -74.78133 779.42703
4235.0000 -77.65131 -74.31766 3.33365 2.23069 -74.40010 817.07413
4240.0000 -77.38234 -74.32241 3.05993 2.19586 -74.75842 752.26536
4245.0000 -77.84847 -73.96082 3.88765 2.25163 -74.18465 794.88389
4250.0000 -77.96367 -74.67162 3.29205 2.23216 -74.38491 842.42803
FREEZING PROCESS: loop number 18 T-loop= 744.00000000000000
main_MD> interactions number 18 at Temperature= 744.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.52569 -0.28117 0.62846
force_rgl> df(natom) -0.23777 -3.09115 -0.58722
4255.0000 -78.31281 -74.82052 3.49229 2.13933 -75.34000 719.06329
4260.0000 -78.69635 -75.06183 3.63452 2.14239 -75.30854 735.33126
4265.0000 -78.16577 -74.72966 3.43610 2.14870 -75.24356 742.16358
4270.0000 -77.82545 -74.16114 3.66430 2.19074 -74.81103 785.93349
4275.0000 -77.27605 -75.05231 2.22374 2.20083 -74.70729 783.88418
4280.0000 -77.55644 -74.45717 3.09927 2.16193 -75.10747 719.50416
4285.0000 -78.30643 -74.51715 3.78928 2.23412 -74.36477 789.82247
4290.0000 -78.02422 -74.66404 3.36018 2.16769 -75.04820 722.35677
4295.0000 -78.07872 -75.13109 2.94763 2.20379 -74.67685 733.76304
4300.0000 -78.91445 -75.57727 3.33719 2.15619 -75.16653 720.70027
4305.0000 -78.76513 -75.80869 2.95644 2.08103 -75.93978 672.33372
4310.0000 -78.44641 -75.30854 3.13787 2.14098 -75.32296 721.90937
4315.0000 -78.01815 -75.27888 2.73927 2.11510 -75.58927 700.10869
4320.0000 -78.40533 -75.24273 3.16260 2.13665 -75.36755 702.68941
4325.0000 -78.96303 -75.95253 3.01050 2.13427 -75.39205 692.24030
4330.0000 -77.92879 -75.08161 2.84718 2.16115 -75.11550 699.11788
4335.0000 -78.19435 -75.83240 2.36195 2.15373 -75.19184 741.56683
4340.0000 -78.44365 -75.27736 3.16629 2.13097 -75.42599 719.27372
4345.0000 -78.27306 -74.55544 3.71762 2.18948 -74.82405 776.29227
4350.0000 -77.78009 -75.03013 2.74996 2.11711 -75.56859 696.25896
4355.0000 -76.87103 -73.69041 3.18061 2.23849 -74.31980 786.58467
4360.0000 -77.98923 -75.02887 2.96036 2.21407 -74.57102 789.25491
4365.0000 -77.10394 -74.17416 2.92978 2.20380 -74.67669 785.29329
4370.0000 -78.38951 -74.56667 3.82285 2.21556 -74.55570 768.43267
4375.0000 -76.93208 -74.13797 2.79411 2.20749 -74.63871 748.57687
4380.0000 -77.75789 -75.01282 2.74507 2.20561 -74.65803 758.01161
4385.0000 -78.08002 -74.47237 3.60765 2.18589 -74.86093 764.18899
4390.0000 -77.62158 -74.76149 2.86009 2.24993 -74.20214 792.76101
4395.0000 -78.33593 -74.39857 3.93736 2.21151 -74.59736 778.81131
4400.0000 -77.49642 -74.32232 3.17410 2.23270 -74.37937 815.60543
4405.0000 -78.82827 -74.41969 4.40859 2.21898 -74.52050 787.79570
4410.0000 -78.09772 -73.44820 4.64952 2.26770 -74.01929 834.06712
4415.0000 -78.32591 -75.19196 3.13394 2.20132 -74.70226 755.32799
4420.0000 -77.92488 -75.42410 2.50077 2.16375 -75.08870 726.33089
4425.0000 -77.76591 -74.30119 3.46472 2.13014 -75.43449 697.09382
4430.0000 -77.92620 -74.89986 3.02634 2.16831 -75.04186 708.63146
4435.0000 -77.75941 -74.21956 3.53985 2.17089 -75.01533 721.72288
4440.0000 -78.22938 -75.10850 3.12087 2.22681 -74.43994 827.37587
4445.0000 -77.90657 -74.72109 3.18548 2.15619 -75.16652 743.67399
4450.0000 -78.26711 -75.01501 3.25210 2.19514 -74.76579 801.17081
4455.0000 -77.68217 -75.22724 2.45493 2.15932 -75.13428 710.85955
4460.0000 -78.89730 -76.12751 2.76979 2.09598 -75.78599 680.68878
4465.0000 -78.12235 -75.09090 3.03145 2.14684 -75.26277 727.14027
4470.0000 -78.37807 -75.23743 3.14064 2.09401 -75.80628 639.82075
4475.0000 -78.99613 -75.66483 3.33130 2.13446 -75.39006 772.09068
4480.0000 -78.28730 -74.61241 3.67489 2.20382 -74.67650 780.15751
4485.0000 -78.66306 -75.49982 3.16325 2.16430 -75.08306 720.61770
4490.0000 -78.54550 -75.87982 2.66569 2.10123 -75.73194 707.50333
4495.0000 -78.85718 -75.82344 3.03374 2.11636 -75.57634 682.62111
4500.0000 -77.99711 -74.43546 3.56165 2.18190 -74.90198 750.11229
FREEZING PROCESS: loop number 19 T-loop= 719.00000000000000
main_MD> interactions number 19 at Temperature= 719.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52273 -2.12018 2.79419
force_rgl> df(natom) -3.86943 3.25952 -3.28571
4505.0000 -76.75120 -73.67239 3.07881 2.23953 -74.30909 809.37869
4510.0000 -77.86539 -74.85076 3.01463 2.20517 -74.66255 779.85101
4515.0000 -78.90267 -75.31634 3.58633 2.19438 -74.77356 770.38540
4520.0000 -78.59861 -75.80347 2.79513 2.11864 -75.55286 724.09381
4525.0000 -77.94572 -74.67241 3.27331 2.17322 -74.99136 738.53358
4530.0000 -77.92861 -73.63881 4.28980 2.22858 -74.42178 792.03768
4535.0000 -78.39524 -74.76127 3.63397 2.25729 -74.12637 818.35808
4540.0000 -78.10751 -75.17100 2.93652 2.19936 -74.72239 766.15892
4545.0000 -78.03182 -74.90291 3.12891 2.19394 -74.77811 785.67428
4550.0000 -78.41764 -75.66965 2.74800 2.12562 -75.48099 716.62306
4555.0000 -78.57576 -75.87423 2.70153 2.11464 -75.59400 700.73432
4560.0000 -78.41850 -75.39341 3.02509 2.13548 -75.37956 694.38162
4565.0000 -78.80259 -75.62856 3.17404 2.11983 -75.54055 709.90658
4570.0000 -78.29536 -75.31452 2.98084 2.11465 -75.59394 695.12938
4575.0000 -78.27883 -75.13876 3.14007 2.16919 -75.03275 752.78837
4580.0000 -78.72505 -75.24902 3.47603 2.12307 -75.50727 692.77241
4585.0000 -78.52760 -74.96622 3.56138 2.18440 -74.87634 757.23623
4590.0000 -77.81860 -74.73419 3.08442 2.17895 -74.93241 728.95571
4595.0000 -78.77680 -75.42335 3.35345 2.14916 -75.23882 689.61686
4600.0000 -77.90701 -74.99883 2.90818 2.19517 -74.76548 773.72998
4605.0000 -77.27415 -74.88615 2.38800 2.18012 -74.92034 758.26300
4610.0000 -77.60796 -74.92991 2.67805 2.14600 -75.27135 706.63315
4615.0000 -78.00440 -74.25308 3.75132 2.21231 -74.58912 789.50087
4620.0000 -77.92698 -74.52782 3.39916 2.25958 -74.10285 840.31423
4625.0000 -78.87198 -75.99106 2.88092 2.09140 -75.83310 647.12521
4630.0000 -78.42905 -75.84077 2.58828 2.05485 -76.20917 669.79663
4635.0000 -78.78183 -75.46792 3.31391 2.09925 -75.75231 687.65839
4640.0000 -78.44532 -75.38901 3.05631 2.16400 -75.08621 748.50721
4645.0000 -78.33849 -75.63582 2.70267 2.10894 -75.65262 660.92904
4650.0000 -78.16913 -75.43173 2.73740 2.11929 -75.54618 678.20020
4655.0000 -78.22656 -74.93000 3.29656 2.12906 -75.44563 709.83017
4660.0000 -78.34269 -75.14770 3.19499 2.21014 -74.61150 790.10428
4665.0000 -78.67332 -75.19432 3.47900 2.13138 -75.42178 719.91508
4670.0000 -78.78806 -75.50170 3.28636 2.13775 -75.35624 722.06214
4675.0000 -78.60115 -75.62371 2.97744 2.09843 -75.76078 674.09060
4680.0000 -78.78107 -75.33972 3.44135 2.12139 -75.52459 731.79746
4685.0000 -78.33876 -75.08195 3.25682 2.16600 -75.06564 774.81450
4690.0000 -78.36863 -75.76242 2.60621 2.15535 -75.17512 745.20593
4695.0000 -78.67574 -75.77510 2.90064 2.09036 -75.84375 701.91040
4700.0000 -79.28052 -76.64446 2.63606 2.05005 -76.25855 659.95886
4705.0000 -79.20415 -76.69210 2.51205 2.01045 -76.66593 605.47433
4710.0000 -78.86902 -76.07251 2.79651 2.04111 -76.35050 607.00728
4715.0000 -78.93750 -75.30266 3.63484 2.13373 -75.39762 707.17601
4720.0000 -77.91372 -75.64863 2.26509 2.09680 -75.77750 623.96653
4725.0000 -78.02208 -74.58432 3.43776 2.17753 -74.94699 687.61795
4730.0000 -78.46637 -75.05076 3.41561 2.18418 -74.87855 728.43124
4735.0000 -78.50281 -75.19337 3.30944 2.17681 -74.95439 775.07972
4740.0000 -79.10852 -76.52450 2.58403 2.11879 -75.55130 726.51169
4745.0000 -78.04823 -75.43215 2.61608 2.02103 -76.55713 619.10595
4750.0000 -77.34789 -74.48953 2.85836 2.19396 -74.77798 731.09418
FREEZING PROCESS: loop number 20 T-loop= 694.00000000000000
main_MD> interactions number 20 at Temperature= 694.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12130 -0.42519 -1.62980
force_rgl> df(natom) 0.78983 2.53597 -2.20660
4755.0000 -79.26255 -75.95977 3.30278 2.11111 -75.63028 669.37244
4760.0000 -79.11899 -75.16599 3.95300 2.11780 -75.56145 680.49489
4765.0000 -77.74555 -75.05693 2.68862 2.17409 -74.98237 733.24202
4770.0000 -78.58201 -74.52099 4.06102 2.23328 -74.37338 826.64570
4775.0000 -78.04893 -75.67686 2.37207 2.15393 -75.18977 722.02932
4780.0000 -79.16821 -76.48270 2.68551 2.05175 -76.24104 611.18200
4785.0000 -79.27902 -76.87037 2.40865 1.99868 -76.78704 582.75552
4790.0000 -79.60183 -76.07093 3.53091 2.05324 -76.22573 635.58799
4795.0000 -77.23206 -74.46421 2.76785 2.10428 -75.70055 701.18516
4800.0000 -78.23540 -75.42124 2.81417 2.24315 -74.27181 805.99215
4805.0000 -77.45367 -75.46044 1.99323 2.13454 -75.38928 709.73698
4810.0000 -78.72140 -76.60118 2.12022 2.04137 -76.34784 615.43947
4815.0000 -78.93572 -76.40638 2.52934 2.05447 -76.21305 628.69474
4820.0000 -78.84556 -76.33627 2.50929 2.03978 -76.36416 636.34089
4825.0000 -78.30425 -75.33513 2.96913 2.13471 -75.38751 726.31197
4830.0000 -77.81284 -75.07708 2.73577 2.13702 -75.36376 713.97340
4835.0000 -78.85079 -75.51997 3.33082 2.14265 -75.30579 717.29803
4840.0000 -77.83338 -74.82597 3.00741 2.14915 -75.23893 719.69629
4845.0000 -77.62242 -75.01122 2.61120 2.17018 -75.02257 734.98452
4850.0000 -78.81907 -75.94132 2.87775 2.13283 -75.40690 670.74779
4855.0000 -78.95320 -76.29150 2.66171 2.01291 -76.64058 594.79145
4860.0000 -79.27091 -76.55961 2.71130 2.06037 -76.15229 648.63554
4865.0000 -79.19711 -76.50725 2.68985 2.02331 -76.53363 630.25125
4870.0000 -78.65490 -75.95520 2.69969 2.05201 -76.23839 656.85451
4875.0000 -78.38891 -75.41765 2.97126 2.10581 -75.68489 678.85044
4880.0000 -77.80639 -75.09788 2.70851 2.14218 -75.31063 697.76197
4885.0000 -78.35635 -73.96770 4.38866 2.25164 -74.18447 773.07141
4890.0000 -78.17276 -75.07866 3.09410 2.22546 -74.45387 782.44593
4895.0000 -78.45832 -75.66973 2.78859 2.11936 -75.54543 723.70732
4900.0000 -78.24079 -75.59159 2.64920 2.10936 -75.64836 664.39499
4905.0000 -77.79699 -74.59281 3.20418 2.13126 -75.42296 702.91949
4910.0000 -78.02976 -74.21782 3.81195 2.17730 -74.94937 761.85855
4915.0000 -78.54181 -75.58394 2.95787 2.22504 -74.45820 767.55947
4920.0000 -78.46643 -76.16120 2.30522 2.11376 -75.60308 662.83819
4925.0000 -78.66242 -76.17259 2.48983 2.05776 -76.17919 619.51108
4930.0000 -78.09771 -75.65155 2.44616 2.08447 -75.90444 693.48084
4935.0000 -78.49624 -76.04424 2.45199 2.09145 -75.83254 700.50338
4940.0000 -79.19652 -77.14742 2.04910 2.00889 -76.68198 593.23083
4945.0000 -78.31248 -76.18781 2.12467 2.01445 -76.62481 579.77758
4950.0000 -78.53576 -76.05255 2.48321 2.05941 -76.16225 646.40244
4955.0000 -77.82999 -75.63229 2.19770 2.06942 -76.05926 665.12592
4960.0000 -78.62094 -75.92342 2.69753 2.08502 -75.89874 657.72925
4965.0000 -79.24351 -75.04178 4.20173 2.12860 -75.45039 713.64048
4970.0000 -77.97924 -74.69858 3.28066 2.16835 -75.04144 759.14065
4975.0000 -77.15407 -74.45214 2.70194 2.19758 -74.74070 736.66546
4980.0000 -78.31292 -74.15855 4.15438 2.20458 -74.66866 756.17464
4985.0000 -77.55989 -73.43526 4.12463 2.22926 -74.41472 765.51307
4990.0000 -78.55906 -75.45923 3.09983 2.16909 -75.03378 764.31929
4995.0000 -79.06306 -75.41384 3.64922 2.16206 -75.10618 758.23703
5000.0000 -78.81014 -75.44679 3.36335 2.16182 -75.10857 745.56924
FREEZING PROCESS: loop number 21 T-loop= 669.00000000000000
main_MD> interactions number 21 at Temperature= 669.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.38706 1.34103 -7.74566
force_rgl> df(natom) 1.84285 0.78950 0.72801
5005.0000 -78.65926 -75.98586 2.67340 2.09455 -75.80070 689.67084
5010.0000 -78.70334 -75.99765 2.70569 2.06391 -76.11589 622.59621
5015.0000 -79.26265 -75.99591 3.26674 2.05921 -76.16432 623.95675
5020.0000 -79.53779 -76.90083 2.63695 2.06737 -76.08033 654.55632
5025.0000 -78.83454 -76.34656 2.48799 2.03942 -76.36786 625.30468
5030.0000 -78.55338 -76.04066 2.51272 2.08545 -75.89433 608.10260
5035.0000 -78.08314 -75.38420 2.69895 2.09323 -75.81431 668.58756
5040.0000 -78.57866 -75.63284 2.94582 2.12789 -75.45767 684.16170
5045.0000 -78.84491 -75.65000 3.19491 2.10446 -75.69878 700.02347
5050.0000 -77.80417 -74.95444 2.84973 2.13935 -75.33973 671.38863
5055.0000 -78.60291 -76.01614 2.58677 2.11301 -75.61075 710.87744
5060.0000 -78.76317 -75.76797 2.99521 2.07128 -76.04009 667.58029
5065.0000 -78.85056 -76.84998 2.00058 2.09415 -75.80475 671.81314
5070.0000 -78.92554 -75.97050 2.95504 2.02855 -76.47973 601.22166
5075.0000 -77.63807 -75.21825 2.41982 2.11655 -75.57436 713.19665
5080.0000 -79.24135 -75.94634 3.29501 2.16836 -75.04128 726.82015
5085.0000 -77.16070 -74.50708 2.65362 2.17487 -74.97431 743.04138
5090.0000 -77.47590 -75.05302 2.42288 2.20139 -74.70154 744.03437
5095.0000 -78.13287 -75.50256 2.63031 2.17437 -74.97952 727.89241
5100.0000 -78.01145 -75.01554 2.99591 2.10420 -75.70145 684.43182
5105.0000 -78.46299 -74.63542 3.82757 2.17939 -74.92787 760.91931
5110.0000 -77.29357 -74.15547 3.13810 2.21114 -74.60113 791.80100
5115.0000 -77.77612 -75.35730 2.41882 2.18066 -74.91481 735.73548
5120.0000 -78.94851 -76.72583 2.22269 2.07668 -75.98456 619.47262
5125.0000 -78.92199 -76.47492 2.44707 2.04982 -76.26090 595.44117
5130.0000 -78.83475 -76.49315 2.34160 2.11677 -75.57206 685.49644
5135.0000 -79.12962 -76.73263 2.39698 2.04026 -76.35923 642.78983
5140.0000 -79.44693 -76.87782 2.56911 2.03647 -76.39824 618.72429
5145.0000 -79.72313 -77.02110 2.70203 1.98634 -76.91395 587.93961
5150.0000 -80.11336 -76.91354 3.19982 1.98063 -76.97270 595.14040
5155.0000 -78.70150 -75.69986 3.00164 2.02384 -76.52814 649.89748
5160.0000 -78.35693 -76.09111 2.26583 2.11584 -75.58168 698.16496
5165.0000 -78.56825 -75.54300 3.02525 2.07446 -76.00739 616.74607
5170.0000 -78.09420 -75.64246 2.45174 2.16565 -75.06923 718.43379
5175.0000 -78.29884 -75.66762 2.63121 2.10918 -75.65014 690.76101
5180.0000 -79.21394 -76.60685 2.60709 2.06925 -76.06102 690.65725
5185.0000 -79.01520 -75.95738 3.05782 2.07677 -75.98358 638.21038
5190.0000 -79.82598 -77.16955 2.65642 2.04005 -76.36136 662.42895
5195.0000 -79.18691 -76.36770 2.81921 1.98562 -76.92134 593.46239
5200.0000 -79.07438 -76.40488 2.66950 2.00971 -76.67356 619.20989
5205.0000 -78.82952 -75.49818 3.33135 2.08641 -75.88445 657.20379
5210.0000 -78.60290 -75.25554 3.34736 2.15919 -75.13561 735.96390
5215.0000 -79.25041 -75.83125 3.41916 2.11326 -75.60822 682.91554
5220.0000 -78.59510 -76.07763 2.51747 2.12782 -75.45836 664.18809
5225.0000 -78.35740 -75.93952 2.41788 2.07612 -75.99034 633.55684
5230.0000 -79.00223 -75.51036 3.49187 2.06550 -76.09956 660.93477
5235.0000 -78.47127 -75.50677 2.96450 2.12357 -75.50217 698.91125
5240.0000 -78.30288 -74.94793 3.35496 2.14189 -75.31369 712.44614
5245.0000 -78.55551 -75.14450 3.41101 2.13818 -75.35181 682.65387
5250.0000 -78.54244 -75.98478 2.55765 2.13189 -75.41653 690.26270
FREEZING PROCESS: loop number 22 T-loop= 644.00000000000000
main_MD> interactions number 22 at Temperature= 644.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.17395 5.48389 -1.76654
force_rgl> df(natom) 1.45701 -1.16877 -0.70745
5255.0000 -78.29611 -75.66191 2.63420 2.06209 -76.13468 650.86065
5260.0000 -78.68922 -75.47669 3.21253 2.07451 -76.00691 647.80916
5265.0000 -78.69682 -75.96707 2.72975 2.10810 -75.66127 695.39739
5270.0000 -77.91481 -75.25089 2.66392 2.12081 -75.53047 669.88703
5275.0000 -78.24764 -75.58089 2.66674 2.12865 -75.44988 693.65200
5280.0000 -79.09975 -76.35805 2.74171 2.07583 -75.99327 650.90503
5285.0000 -78.48545 -76.32261 2.16284 2.02011 -76.56660 611.08010
5290.0000 -79.19089 -75.92582 3.26507 2.06839 -76.06980 624.04092
5295.0000 -79.37215 -76.64432 2.72783 2.01909 -76.57700 608.60254
5300.0000 -78.69658 -76.14034 2.55624 2.08178 -75.93207 661.03344
5305.0000 -79.16947 -75.88835 3.28112 2.08851 -75.86288 676.70877
5310.0000 -79.32878 -76.45544 2.87334 2.06487 -76.10607 660.83034
5315.0000 -79.68953 -76.63802 3.05151 2.01711 -76.59738 649.81898
5320.0000 -78.66731 -76.27984 2.38747 2.00266 -76.74607 617.44463
5325.0000 -78.12654 -76.01050 2.11604 2.07700 -75.98130 675.48266
5330.0000 -78.79681 -75.01418 3.78263 2.13965 -75.33670 759.86399
5335.0000 -78.13173 -75.91248 2.21924 2.12975 -75.43857 768.08318
5340.0000 -78.19629 -75.80380 2.39250 2.09470 -75.79919 704.22098
5345.0000 -78.71392 -75.50478 3.20914 2.06782 -76.07571 644.70889
5350.0000 -78.65858 -76.16010 2.49848 2.11538 -75.58637 684.36627
5355.0000 -77.61800 -75.00606 2.61193 2.16264 -75.10018 716.37157
5360.0000 -78.81346 -75.51024 3.30322 2.13214 -75.41393 714.49863
5365.0000 -78.33382 -75.65222 2.68160 2.13817 -75.35194 702.28919
5370.0000 -78.84807 -75.97089 2.87718 2.06371 -76.11802 633.63423
5375.0000 -79.62099 -76.34435 3.27663 2.06148 -76.14088 664.74625
5380.0000 -78.85701 -76.48396 2.37305 2.05157 -76.24291 671.52572
5385.0000 -78.34065 -75.72183 2.61882 2.10119 -75.73236 683.15793
5390.0000 -78.46533 -75.43818 3.02716 2.12415 -75.49618 670.78805
5395.0000 -78.61775 -75.01299 3.60477 2.13960 -75.33718 738.60650
5400.0000 -78.89255 -75.70676 3.18579 2.08031 -75.94715 657.77575
5405.0000 -79.06500 -76.14633 2.91867 2.13408 -75.39400 722.07236
5410.0000 -78.60940 -75.73340 2.87599 2.12744 -75.46229 754.58785
5415.0000 -79.35920 -76.27809 3.08111 2.09213 -75.82560 708.60062
5420.0000 -79.24842 -76.51553 2.73289 2.01058 -76.66462 587.28752
5425.0000 -78.54037 -77.02807 1.51230 1.97277 -77.05363 576.65979
5430.0000 -79.14108 -75.97750 3.16358 2.01469 -76.62235 601.38966
5435.0000 -78.93344 -76.15668 2.77676 2.05739 -76.18301 623.29105
5440.0000 -78.36844 -75.64117 2.72727 2.03564 -76.40678 626.88997
5445.0000 -78.73967 -76.47302 2.26666 2.08908 -75.85699 676.58437
5450.0000 -78.74689 -75.76256 2.98433 2.05897 -76.16674 611.70603
5455.0000 -79.23523 -76.10989 3.12534 2.11046 -75.63699 686.41797
5460.0000 -78.73315 -75.94518 2.78797 2.08554 -75.89336 665.70525
5465.0000 -79.28918 -76.32863 2.96055 2.06812 -76.07261 653.16102
5470.0000 -78.96446 -75.94830 3.01616 2.05088 -76.24996 627.50162
5475.0000 -78.99062 -76.50994 2.48068 2.04875 -76.27189 653.35927
5480.0000 -78.95822 -76.72368 2.23454 2.03427 -76.42090 597.99617
5485.0000 -79.28902 -76.37905 2.90997 2.04646 -76.29542 656.13269
5490.0000 -79.45212 -75.69193 3.76019 2.03868 -76.37550 640.47403
5495.0000 -78.61526 -75.69612 2.91913 2.09795 -75.76568 685.22167
5500.0000 -79.10073 -76.17588 2.92486 2.06079 -76.14802 655.11347
FREEZING PROCESS: loop number 23 T-loop= 619.00000000000000
main_MD> interactions number 23 at Temperature= 619.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43619 0.70740 -0.34819
force_rgl> df(natom) 3.00261 -0.09057 -1.09408
5505.0000 -79.67383 -77.03183 2.64200 2.02941 -76.47085 612.62044
5510.0000 -79.89245 -76.58992 3.30253 1.98995 -76.87689 598.34154
5515.0000 -79.44059 -76.72122 2.71938 2.00255 -76.74722 603.98191
5520.0000 -78.87812 -75.85272 3.02540 2.01973 -76.57049 600.99806
5525.0000 -78.64030 -76.06720 2.57310 2.06588 -76.09566 647.61776
5530.0000 -78.90560 -75.86375 3.04186 2.07830 -75.96783 667.04134
5535.0000 -79.81937 -76.64341 3.17596 2.04951 -76.26408 655.87408
5540.0000 -79.20850 -76.34851 2.85999 2.04267 -76.33440 661.18282
5545.0000 -79.02755 -76.19762 2.82993 2.07130 -76.03987 667.31134
5550.0000 -78.80988 -76.69498 2.11490 2.02112 -76.55614 615.82666
5555.0000 -78.14354 -75.68202 2.46152 2.07169 -76.03592 625.89576
5560.0000 -78.42239 -75.99939 2.42300 2.09709 -75.77452 682.01830
5565.0000 -79.75360 -77.26892 2.48467 1.99095 -76.86654 582.36053
5570.0000 -79.40128 -77.66946 1.73182 1.92465 -77.54869 542.74584
5575.0000 -79.18722 -76.80860 2.37863 1.97643 -77.01593 580.19646
5580.0000 -78.58218 -76.41808 2.16410 2.02916 -76.47347 623.21515
5585.0000 -78.46181 -76.20974 2.25208 2.06029 -76.15316 638.53659
5590.0000 -78.66241 -75.19395 3.46846 2.07463 -76.00562 655.05704
5595.0000 -78.40981 -75.12964 3.28017 2.13794 -75.35432 718.15270
5600.0000 -78.38688 -75.62097 2.76591 2.10059 -75.73854 696.48078
5605.0000 -79.22930 -76.29785 2.93145 2.06973 -76.05602 664.90031
5610.0000 -78.91525 -76.50991 2.40534 2.01495 -76.61959 598.35753
5615.0000 -78.99280 -75.77815 3.21465 2.05262 -76.23204 601.71021
5620.0000 -79.04846 -76.79674 2.25172 2.07018 -76.05145 661.16601
5625.0000 -79.87000 -77.19306 2.67694 1.99075 -76.86865 593.66035
5630.0000 -79.17820 -76.06519 3.11301 2.01523 -76.61674 616.09684
5635.0000 -79.27572 -76.58178 2.69394 2.04383 -76.32256 636.50317
5640.0000 -79.61470 -75.95156 3.66314 2.06373 -76.11779 668.32522
5645.0000 -78.77994 -76.05372 2.72622 2.03733 -76.38939 619.50817
5650.0000 -78.65542 -76.05060 2.60482 2.03477 -76.41568 605.09148
5655.0000 -78.41978 -76.07888 2.34090 2.06771 -76.07680 647.09348
5660.0000 -79.31894 -76.94176 2.37718 1.99325 -76.84293 588.55367
5665.0000 -79.69063 -77.51971 2.17092 1.95642 -77.22179 556.38486
5670.0000 -79.83889 -78.05025 1.78864 1.93177 -77.47546 520.68159
5675.0000 -78.30666 -76.02834 2.27832 2.00714 -76.70002 611.72066
5680.0000 -79.07271 -76.40617 2.66653 2.03225 -76.44164 617.13894
5685.0000 -79.08741 -76.40310 2.68430 2.03330 -76.43083 601.66015
5690.0000 -78.92902 -76.12812 2.80091 2.04651 -76.29493 608.95364
5695.0000 -79.08094 -76.51356 2.56738 2.03391 -76.42454 566.81336
5700.0000 -79.67472 -77.04042 2.63430 1.98661 -76.91122 561.00465
5705.0000 -78.94914 -76.48724 2.46190 2.00205 -76.75234 615.36017
5710.0000 -78.87057 -76.60812 2.26246 2.01770 -76.59137 611.21846
5715.0000 -78.95155 -76.58497 2.36658 2.01449 -76.62439 610.19164
5720.0000 -79.55260 -76.66511 2.88749 2.03996 -76.36231 642.45492
5725.0000 -79.15354 -76.43005 2.72349 2.00857 -76.68532 604.65033
5730.0000 -79.64466 -75.91934 3.72532 2.04786 -76.28100 666.12205
5735.0000 -78.72889 -75.85658 2.87231 2.03618 -76.40122 657.04679
5740.0000 -79.21723 -76.85021 2.36702 1.99672 -76.80722 594.40071
5745.0000 -78.70882 -76.05423 2.65460 2.00555 -76.71638 599.60508
5750.0000 -79.02555 -76.54503 2.48052 2.08097 -75.94046 667.85145
FREEZING PROCESS: loop number 24 T-loop= 594.00000000000000
main_MD> interactions number 24 at Temperature= 594.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18071 1.44332 2.03602
force_rgl> df(natom) -2.95856 -0.68520 -0.37202
5755.0000 -79.61453 -76.99938 2.61515 1.99407 -76.83450 581.58958
5760.0000 -79.30296 -77.35287 1.95010 2.00682 -76.70326 604.48600
5765.0000 -79.83464 -77.51566 2.31898 1.95731 -77.21268 556.22538
5770.0000 -79.60194 -77.43949 2.16245 1.92966 -77.49714 529.97098
5775.0000 -79.21885 -76.50215 2.71670 2.02251 -76.54183 618.95017
5780.0000 -79.24285 -76.70408 2.53877 2.02476 -76.51867 602.52042
5785.0000 -79.18239 -76.60422 2.57817 1.99822 -76.79171 562.19220
5790.0000 -78.99405 -76.50842 2.48563 2.00207 -76.75218 594.16293
5795.0000 -79.63272 -77.08420 2.54852 2.04846 -76.27488 640.69473
5800.0000 -79.05961 -77.03496 2.02465 1.95438 -77.24280 522.59410
5805.0000 -78.75332 -75.92647 2.82685 2.04412 -76.31948 628.82308
5810.0000 -79.11985 -76.71844 2.40141 2.03496 -76.41372 631.30232
5815.0000 -79.55269 -76.79285 2.75984 1.96441 -77.13960 565.17367
5820.0000 -79.46828 -77.07470 2.39358 2.01520 -76.61702 602.01221
5825.0000 -79.78812 -77.44735 2.34077 1.97934 -76.98602 603.41504
5830.0000 -78.74704 -76.11981 2.62723 2.00610 -76.71072 600.51191
5835.0000 -78.87422 -76.74086 2.13336 2.03290 -76.43500 620.60157
5840.0000 -78.77083 -75.92496 2.84587 2.03983 -76.36370 598.30768
5845.0000 -78.50425 -76.04358 2.46067 2.08189 -75.93096 649.38812
5850.0000 -78.17314 -75.49353 2.67961 2.07619 -75.98956 603.53687
5855.0000 -79.42125 -77.40343 2.01782 2.05239 -76.23440 645.29526
5860.0000 -78.89578 -75.91874 2.97705 1.96662 -77.11692 559.86422
5865.0000 -78.49145 -75.18507 3.30638 2.07505 -76.00131 682.67703
5870.0000 -78.79840 -76.43792 2.36048 2.03261 -76.43794 638.53755
5875.0000 -79.14213 -76.32509 2.81704 2.04254 -76.33579 637.91235
5880.0000 -78.42686 -76.31726 2.10960 2.01244 -76.64542 613.09520
5885.0000 -79.57667 -76.97098 2.60569 1.97791 -77.00073 571.50769
5890.0000 -79.45021 -77.38857 2.06164 1.94124 -77.37801 550.27344
5895.0000 -79.84741 -77.32170 2.52571 1.93773 -77.41414 541.30038
5900.0000 -79.27582 -76.68535 2.59047 1.99208 -76.85498 598.54931
5905.0000 -79.15806 -76.55398 2.60408 2.01794 -76.58889 608.78134
5910.0000 -80.30713 -77.90052 2.40661 1.97033 -77.07873 568.03763
5915.0000 -79.63824 -77.27282 2.36542 1.90603 -77.74022 528.59770
5920.0000 -79.58436 -76.85511 2.72925 1.97472 -77.03350 585.88340
5925.0000 -79.14201 -76.79549 2.34652 1.98659 -76.91139 582.36437
5930.0000 -78.12189 -75.18219 2.93970 2.04276 -76.33353 637.25576
5935.0000 -79.12988 -76.30365 2.82623 2.10555 -75.68750 690.51140
5940.0000 -78.54923 -76.18396 2.36528 2.04950 -76.26416 644.16522
5945.0000 -78.72395 -76.42562 2.29833 2.03998 -76.36211 635.37360
5950.0000 -79.50299 -77.15011 2.35288 1.99325 -76.84290 565.24509
5955.0000 -79.78872 -77.56020 2.22852 1.95671 -77.21879 553.30186
5960.0000 -80.04118 -77.42147 2.61971 1.93172 -77.47597 527.70132
5965.0000 -79.28824 -77.08305 2.20519 1.95211 -77.26620 553.61137
5970.0000 -79.76520 -77.37065 2.39456 2.00086 -76.76463 578.48290
5975.0000 -79.48001 -77.49399 1.98601 1.96772 -77.10555 575.78507
5980.0000 -79.68373 -77.10900 2.57472 1.96497 -77.13382 582.70246
5985.0000 -79.71972 -77.21277 2.50695 1.96553 -77.12809 564.85844
5990.0000 -79.31778 -76.73972 2.57806 2.00151 -76.75790 596.22163
5995.0000 -78.93474 -76.21206 2.72268 2.04836 -76.27591 636.73388
6000.0000 -79.46973 -76.69112 2.77861 2.03876 -76.37467 641.75130
FREEZING PROCESS: loop number 25 T-loop= 569.00000000000000
main_MD> interactions number 25 at Temperature= 569.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17595 0.02808 0.50491
force_rgl> df(natom) 2.25393 -0.43608 1.40050
6005.0000 -79.59374 -77.01629 2.57745 1.97879 -76.99163 563.69476
6010.0000 -79.80736 -77.34610 2.46126 1.97044 -77.07754 554.10605
6015.0000 -79.98941 -77.70817 2.28124 1.91617 -77.63589 508.65472
6020.0000 -79.57326 -77.04040 2.53286 1.96409 -77.14290 539.42835
6025.0000 -79.49680 -76.04429 3.45251 2.01976 -76.57020 598.50963
6030.0000 -78.95737 -75.70588 3.25149 2.12197 -75.51855 712.12205
6035.0000 -79.65223 -76.37297 3.27926 2.04764 -76.28333 641.24588
6040.0000 -79.39645 -77.30033 2.09612 1.99397 -76.83546 589.99545
6045.0000 -79.59707 -77.00433 2.59275 1.94816 -77.30681 529.11311
6050.0000 -78.68209 -75.97395 2.70814 2.03792 -76.38334 636.70245
6055.0000 -79.35283 -77.06309 2.28974 2.03380 -76.42573 601.96958
6060.0000 -79.46188 -77.17237 2.28951 1.96493 -77.13426 548.51327
6065.0000 -79.86224 -77.62731 2.23493 1.92449 -77.55034 525.74027
6070.0000 -79.17164 -77.02706 2.14458 1.97993 -76.97989 580.28993
6075.0000 -78.88780 -76.92123 1.96657 1.99195 -76.85627 566.67344
6080.0000 -79.05528 -76.51257 2.54271 2.00190 -76.75388 585.43043
6085.0000 -79.65005 -77.11100 2.53905 2.01736 -76.59484 607.40658
6090.0000 -79.78306 -76.94675 2.83631 2.02377 -76.52888 615.52927
6095.0000 -79.22545 -76.46073 2.76472 2.00741 -76.69722 628.61415
6100.0000 -78.54979 -76.33592 2.21386 2.05467 -76.21095 638.79392
6105.0000 -79.06410 -76.45756 2.60655 2.06307 -76.12459 636.67183
6110.0000 -78.56296 -76.09574 2.46723 2.05010 -76.25797 586.80549
6115.0000 -78.98884 -76.84499 2.14385 2.04169 -76.34454 578.56885
6120.0000 -79.33770 -77.30278 2.03493 1.96891 -77.09333 540.80091
6125.0000 -79.49172 -77.53887 1.95285 1.92719 -77.52254 487.99214
6130.0000 -79.24584 -77.03887 2.20697 1.96584 -77.12489 585.21950
6135.0000 -79.33206 -77.40465 1.92741 1.92611 -77.53366 520.02726
6140.0000 -80.20998 -77.52318 2.68681 1.95232 -77.26397 567.38157
6145.0000 -79.26692 -76.84502 2.42190 1.92632 -77.53148 516.10244
6150.0000 -79.29934 -77.17037 2.12896 1.98208 -76.95779 555.31794
6155.0000 -79.56912 -76.82302 2.74610 2.00111 -76.76207 564.10477
6160.0000 -78.56718 -76.76620 1.80098 1.99240 -76.85168 571.36947
6165.0000 -79.24571 -77.16856 2.07715 1.99869 -76.78691 575.15045
6170.0000 -79.58894 -77.15939 2.42956 1.95989 -77.18609 526.32007
6175.0000 -80.24101 -77.46962 2.77139 1.94129 -77.37746 535.38188
6180.0000 -79.88961 -77.29764 2.59197 1.93273 -77.46552 540.97399
6185.0000 -79.82901 -77.73286 2.09615 1.90734 -77.72677 507.14264
6190.0000 -79.13824 -76.97904 2.15920 1.95645 -77.22149 525.50140
6195.0000 -79.95240 -76.86410 3.08830 2.01168 -76.65332 611.24000
6200.0000 -79.20660 -77.17452 2.03208 1.96858 -77.09675 571.61764
6205.0000 -79.63840 -77.19483 2.44357 1.98077 -76.97129 561.09788
6210.0000 -79.76469 -77.24740 2.51729 1.94785 -77.31000 551.29128
6215.0000 -78.94885 -76.32977 2.61908 1.94791 -77.30932 546.15191
6220.0000 -78.89454 -76.53104 2.36350 2.04518 -76.30860 644.50753
6225.0000 -79.07480 -76.86625 2.20855 2.02557 -76.51035 592.09633
6230.0000 -79.07752 -76.93852 2.13900 1.98213 -76.95733 583.81061
6235.0000 -79.75618 -77.54602 2.21016 1.96789 -77.10385 567.61846
6240.0000 -79.22240 -77.04285 2.17955 1.91142 -77.68479 495.19389
6245.0000 -79.65838 -76.95756 2.70081 1.97104 -77.07137 563.56481
6250.0000 -79.30302 -77.16835 2.13466 1.97184 -77.06318 554.60226
FREEZING PROCESS: loop number 26 T-loop= 544.00000000000000
main_MD> interactions number 26 at Temperature= 544.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60775 2.23206 -0.47322
force_rgl> df(natom) -3.93058 0.89951 -0.05965
6255.0000 -79.36923 -77.03736 2.33187 1.97940 -76.98535 533.17268
6260.0000 -79.73239 -77.66653 2.06586 1.94177 -77.37251 518.45906
6265.0000 -80.01141 -77.60842 2.40298 1.91656 -77.63191 516.84823
6270.0000 -79.57931 -78.00442 1.57489 1.91513 -77.64663 508.22490
6275.0000 -80.03219 -77.56032 2.47186 1.88185 -77.98902 470.05145
6280.0000 -79.87036 -78.22118 1.64918 1.88006 -78.00742 467.86078
6285.0000 -79.28208 -76.58290 2.69918 1.90727 -77.72743 518.71934
6290.0000 -79.67995 -76.94876 2.73119 2.00799 -76.69126 622.60008
6295.0000 -79.22344 -76.95356 2.26988 1.99930 -76.78063 580.81686
6300.0000 -79.80018 -77.30954 2.49064 1.97049 -77.07710 546.82999
6305.0000 -79.75374 -77.41446 2.33928 1.94870 -77.30119 542.63702
6310.0000 -79.22716 -76.52787 2.69929 1.95480 -77.23850 532.13066
6315.0000 -80.11702 -77.45874 2.65828 1.97134 -77.06832 561.74254
6320.0000 -79.61213 -77.54115 2.07099 1.95941 -77.19101 548.18897
6325.0000 -79.85944 -77.53887 2.32057 1.91507 -77.64723 527.48760
6330.0000 -79.94405 -77.50162 2.44243 1.94844 -77.30395 560.00644
6335.0000 -79.54794 -76.77629 2.77165 1.95465 -77.24001 570.51251
6340.0000 -79.56177 -77.41237 2.14940 2.00575 -76.71424 599.23365
6345.0000 -79.94395 -77.76413 2.17982 1.91774 -77.61975 501.41683
6350.0000 -80.24355 -77.96553 2.27803 1.92678 -77.52680 522.54612
6355.0000 -80.00041 -78.20459 1.79582 1.86488 -78.16365 458.59509
6360.0000 -79.01351 -76.78835 2.22516 1.89686 -77.83458 476.27782
6365.0000 -79.15096 -76.85529 2.29568 1.99646 -76.80985 578.11993
6370.0000 -79.25376 -76.35316 2.90060 1.99767 -76.79737 596.65523
6375.0000 -79.83270 -78.12314 1.70956 1.95717 -77.21409 541.75653
6380.0000 -79.91019 -77.43647 2.47372 1.91220 -77.67673 506.00183
6385.0000 -79.67268 -77.22018 2.45250 1.94523 -77.33690 546.79040
6390.0000 -79.41021 -76.79888 2.61133 1.95303 -77.25673 532.70896
6395.0000 -79.47665 -76.79034 2.68631 1.98616 -76.91586 571.85155
6400.0000 -79.81086 -77.61674 2.19412 1.94981 -77.28979 525.88709
6405.0000 -79.53010 -77.93966 1.59044 1.89615 -77.84184 477.16884
6410.0000 -79.23864 -76.91657 2.32208 1.94803 -77.30810 528.48893
6415.0000 -79.21472 -77.26589 1.94883 1.98314 -76.94691 579.24992
6420.0000 -79.79116 -77.52565 2.26551 1.92586 -77.53623 507.28215
6425.0000 -79.26411 -77.62076 1.64335 1.94761 -77.31246 558.93277
6430.0000 -79.89061 -78.02231 1.86830 1.87813 -78.02733 475.77641
6435.0000 -79.97706 -77.78784 2.18922 1.88795 -77.92621 493.84433
6440.0000 -79.97769 -77.55877 2.41892 1.88923 -77.91309 504.04167
6445.0000 -79.97602 -77.73323 2.24279 1.92279 -77.56785 529.80735
6450.0000 -79.98071 -77.28587 2.69484 1.91769 -77.62031 573.12964
6455.0000 -80.01111 -77.72705 2.28406 1.90654 -77.73502 528.80092
6460.0000 -80.12987 -78.02436 2.10551 1.88904 -77.91501 454.56088
6465.0000 -79.70104 -77.75432 1.94673 1.86966 -78.11441 475.00983
6470.0000 -79.55554 -77.31103 2.24450 1.95065 -77.28119 547.72153
6475.0000 -80.06750 -77.85119 2.21631 1.90160 -77.78580 493.22446
6480.0000 -79.30731 -77.23653 2.07078 1.91813 -77.61573 527.54719
6485.0000 -80.01445 -78.03118 1.98327 1.89258 -77.87864 477.91969
6490.0000 -79.08170 -76.64664 2.43506 1.96013 -77.18367 570.04975
6495.0000 -79.64427 -77.17877 2.46550 1.97774 -77.00245 582.63620
6500.0000 -79.83678 -77.09428 2.74249 1.95996 -77.18540 563.85904
FREEZING PROCESS: loop number 27 T-loop= 519.00000000000000
main_MD> interactions number 27 at Temperature= 519.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55995 0.24658 -0.74687
force_rgl> df(natom) 0.04716 2.84874 0.36138
6505.0000 -79.25005 -76.72541 2.52464 1.97441 -77.03677 553.19893
6510.0000 -79.55895 -76.88065 2.67830 2.01235 -76.64635 613.34048
6515.0000 -78.86126 -77.00602 1.85524 1.98390 -76.93909 566.74374
6520.0000 -79.32563 -76.73272 2.59291 1.98522 -76.92552 547.34109
6525.0000 -80.06380 -77.78902 2.27478 1.95978 -77.18723 523.52879
6530.0000 -79.46349 -77.16696 2.29654 1.90738 -77.72630 514.54560
6535.0000 -79.76911 -77.36282 2.40629 1.93606 -77.43125 526.43603
6540.0000 -79.72504 -77.24514 2.47990 1.94393 -77.35027 526.75292
6545.0000 -79.69374 -77.59050 2.10324 1.96149 -77.16966 554.75731
6550.0000 -79.79413 -77.53703 2.25710 1.91633 -77.63425 527.08358
6555.0000 -80.07737 -78.59888 1.47850 1.89449 -77.85896 498.80534
6560.0000 -79.84513 -77.74875 2.09639 1.86985 -78.11245 477.14689
6565.0000 -79.89825 -77.80838 2.08987 1.86912 -78.11997 479.89891
6570.0000 -79.65101 -76.97111 2.67990 1.96018 -77.18309 555.53998
6575.0000 -79.93822 -77.91639 2.02182 1.93971 -77.39370 536.13087
6580.0000 -79.62128 -77.47634 2.14494 1.90942 -77.70536 522.15554
6585.0000 -79.88389 -78.21603 1.66785 1.90857 -77.71409 510.84929
6590.0000 -79.77741 -77.49316 2.28425 1.91059 -77.69333 495.13777
6595.0000 -80.00006 -77.60628 2.39378 1.91680 -77.62940 514.54614
6600.0000 -79.90468 -77.21284 2.69184 1.95972 -77.18786 583.17948
6605.0000 -79.94962 -77.86196 2.08766 1.91422 -77.65598 525.39353
6610.0000 -79.70555 -77.94452 1.76103 1.90056 -77.79651 506.35853
6615.0000 -79.21494 -76.87320 2.34174 1.95867 -77.19868 552.55780
6620.0000 -79.63328 -77.41973 2.21354 1.95023 -77.28546 564.53805
6625.0000 -79.54819 -76.80470 2.74349 1.97048 -77.07721 581.58457
6630.0000 -79.40488 -76.37920 3.02567 2.05452 -76.21250 645.26820
6635.0000 -79.67914 -77.72469 1.95446 1.97585 -77.02187 568.54665
6640.0000 -79.78628 -77.52708 2.25920 1.92310 -77.56458 511.05389
6645.0000 -79.80689 -77.81571 1.99118 1.90139 -77.78797 468.43976
6650.0000 -79.88667 -78.22943 1.65724 1.89224 -77.88210 513.66445
6655.0000 -79.45378 -77.47558 1.97820 1.88762 -77.92963 493.43920
6660.0000 -79.38174 -77.46017 1.92157 1.93803 -77.41099 534.42857
6665.0000 -79.63816 -76.56630 3.07186 1.99558 -76.81889 604.38875
6670.0000 -79.91535 -78.28392 1.63143 1.89691 -77.83409 500.47424
6675.0000 -79.62830 -77.39905 2.22925 1.88628 -77.94347 485.36386
6680.0000 -79.86159 -77.20610 2.65549 1.96588 -77.12451 575.22068
6685.0000 -79.72443 -77.56704 2.15739 1.91775 -77.61969 515.12308
6690.0000 -79.65850 -77.40575 2.25275 1.90700 -77.73021 462.37593
6695.0000 -79.76980 -77.75067 2.01913 1.90800 -77.71995 503.89315
6700.0000 -79.69714 -77.37762 2.31952 1.92049 -77.59143 514.16097
6705.0000 -79.43351 -77.45808 1.97543 1.93444 -77.44793 499.95963
6710.0000 -80.00158 -77.04598 2.95560 1.93492 -77.44300 503.87573
6715.0000 -79.02668 -76.65473 2.37195 1.97203 -77.06120 557.84889
6720.0000 -79.63121 -77.22754 2.40367 2.00648 -76.70674 582.63419
6725.0000 -79.43074 -77.60681 1.82393 1.92323 -77.56328 519.89938
6730.0000 -79.04812 -77.18257 1.86555 1.93586 -77.43336 535.63585
6735.0000 -79.69821 -77.60057 2.09764 1.93509 -77.44126 543.22879
6740.0000 -79.71873 -77.88345 1.83528 1.87780 -78.03071 466.24550
6745.0000 -79.02356 -77.18633 1.83723 1.90038 -77.79838 491.19816
6750.0000 -79.94649 -77.72168 2.22481 1.93664 -77.42526 554.27364
FREEZING PROCESS: loop number 28 T-loop= 494.00000000000000
main_MD> interactions number 28 at Temperature= 494.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.62658 -1.15054 -0.20483
force_rgl> df(natom) 0.43113 -0.60068 -0.66516
6755.0000 -79.74688 -77.67785 2.06903 1.89882 -77.81446 511.67284
6760.0000 -79.72942 -78.09710 1.63233 1.91883 -77.60857 512.32090
6765.0000 -80.19366 -78.39413 1.79954 1.86260 -78.18704 470.23067
6770.0000 -79.71225 -76.96681 2.74544 1.92134 -77.58270 532.85682
6775.0000 -79.51194 -77.24127 2.27067 1.95615 -77.22461 542.76175
6780.0000 -79.83746 -77.65525 2.18221 1.90268 -77.77469 488.00697
6785.0000 -79.66915 -77.71112 1.95803 1.92168 -77.57923 500.21527
6790.0000 -80.11758 -78.09477 2.02282 1.89226 -77.88188 499.55509
6795.0000 -80.16383 -77.97112 2.19271 1.88034 -78.00451 497.42568
6800.0000 -79.83109 -77.76869 2.06240 1.86796 -78.13194 471.01289
6805.0000 -80.05550 -77.93045 2.12505 1.87677 -78.04129 467.66646
6810.0000 -79.83827 -77.26203 2.57625 1.91958 -77.60088 523.01651
6815.0000 -79.75407 -77.77978 1.97429 1.92054 -77.59092 524.08431
6820.0000 -79.00012 -76.85124 2.14889 1.95253 -77.26178 540.29445
6825.0000 -79.82209 -78.04581 1.77628 1.92794 -77.51477 508.15065
6830.0000 -79.78816 -78.00623 1.78193 1.89107 -77.89416 461.18646
6835.0000 -80.12732 -77.97830 2.14902 1.88683 -77.93777 450.43847
6840.0000 -80.05386 -78.00994 2.04392 1.90436 -77.75742 501.96427
6845.0000 -79.72536 -77.09540 2.62996 1.91988 -77.59769 520.87843
6850.0000 -79.62781 -77.35325 2.27456 1.96048 -77.18009 574.07987
6855.0000 -80.14339 -77.81391 2.32948 1.90479 -77.75296 514.66509
6860.0000 -79.98709 -77.81386 2.17323 1.88805 -77.92518 485.14241
6865.0000 -79.30213 -77.81269 1.48944 1.89908 -77.81176 488.85165
6870.0000 -79.99519 -78.26945 1.72574 1.86669 -78.14499 443.96938
6875.0000 -80.58111 -78.07919 2.50192 1.82660 -78.55742 444.38489
6880.0000 -80.14019 -77.86201 2.27817 1.87651 -78.04393 507.21486
6885.0000 -79.66130 -77.29677 2.36454 1.92175 -77.57855 547.21849
6890.0000 -80.25598 -77.67829 2.57769 1.91864 -77.61048 553.82319
6895.0000 -79.93303 -77.42896 2.50406 1.91937 -77.60298 554.30582
6900.0000 -79.58464 -77.69481 1.88983 1.90478 -77.75312 509.04557
6905.0000 -79.92422 -78.14634 1.77788 1.90493 -77.75158 527.67779
6910.0000 -79.91373 -77.68377 2.22996 1.90247 -77.77689 531.41515
6915.0000 -80.10342 -77.48905 2.61437 1.92171 -77.57892 521.10140
6920.0000 -80.26590 -78.48989 1.77602 1.87226 -78.08767 472.80781
6925.0000 -80.36674 -78.40139 1.96535 1.85506 -78.26460 469.79455
6930.0000 -80.25116 -78.28745 1.96370 1.85540 -78.26118 460.58807
6935.0000 -80.60628 -78.50567 2.10062 1.84759 -78.34150 449.18235
6940.0000 -80.27607 -78.38341 1.89266 1.82328 -78.59160 428.76918
6945.0000 -79.98967 -78.13361 1.85605 1.87380 -78.07183 501.69265
6950.0000 -80.44133 -78.27147 2.16985 1.85986 -78.21530 493.73532
6955.0000 -80.60463 -78.32167 2.28296 1.81818 -78.64403 436.95828
6960.0000 -80.02762 -77.85671 2.17092 1.87263 -78.08389 495.79861
6965.0000 -79.76937 -77.32667 2.44271 1.94995 -77.28838 564.33803
6970.0000 -79.86397 -77.83359 2.03038 1.91561 -77.64168 486.99117
6975.0000 -79.86579 -77.65454 2.21125 1.90457 -77.75524 488.24678
6980.0000 -80.16030 -78.01791 2.14239 1.87223 -78.08799 473.61172
6985.0000 -80.38889 -78.54284 1.84606 1.81497 -78.67707 414.47778
6990.0000 -79.66083 -77.87047 1.79037 1.83204 -78.50144 422.36469
6995.0000 -79.96582 -77.78255 2.18327 1.92387 -77.55673 512.59632
7000.0000 -79.71276 -78.02121 1.69155 1.90464 -77.75453 509.00813
FREEZING PROCESS: loop number 29 T-loop= 469.00000000000000
main_MD> interactions number 29 at Temperature= 469.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95348 0.94133 -0.98094
force_rgl> df(natom) 0.21499 -2.64684 2.02664
7005.0000 -80.26408 -78.43540 1.82868 1.86295 -78.18351 454.03407
7010.0000 -80.17884 -77.81601 2.36282 1.85340 -78.28166 456.04339
7015.0000 -79.93969 -78.30434 1.63535 1.86406 -78.17207 447.25096
7020.0000 -80.37259 -78.56563 1.80696 1.84173 -78.40180 440.82196
7025.0000 -80.41014 -78.23965 2.17049 1.81517 -78.67499 421.79119
7030.0000 -79.79929 -77.65068 2.14861 1.88517 -77.95480 472.12864
7035.0000 -80.14751 -77.84450 2.30301 1.87447 -78.06498 489.54492
7040.0000 -80.22920 -77.87983 2.34937 1.91315 -77.66693 516.25695
7045.0000 -79.70755 -77.54411 2.16345 1.93645 -77.42725 540.08359
7050.0000 -80.17984 -78.10920 2.07064 1.91624 -77.63524 517.99856
7055.0000 -80.28952 -78.07804 2.21147 1.86110 -78.20252 465.26059
7060.0000 -80.47307 -78.48196 1.99111 1.85473 -78.26801 472.65510
7065.0000 -80.17723 -78.15475 2.02248 1.86650 -78.14689 479.19860
7070.0000 -80.02063 -77.98069 2.03994 1.85932 -78.22080 474.55891
7075.0000 -79.92321 -78.03106 1.89215 1.85382 -78.27734 467.10936
7080.0000 -80.27915 -78.24257 2.03658 1.87739 -78.03494 495.10980
7085.0000 -80.37934 -78.13494 2.24440 1.87158 -78.09464 475.92805
7090.0000 -80.73197 -78.68032 2.05165 1.83062 -78.51612 421.99210
7095.0000 -80.04334 -78.28539 1.75796 1.83657 -78.45488 438.01311
7100.0000 -80.05638 -78.22259 1.83379 1.89150 -77.88970 481.67936
7105.0000 -80.18208 -78.02365 2.15843 1.86803 -78.13120 470.96571
7110.0000 -79.76012 -77.58797 2.17215 1.90431 -77.75795 497.02795
7115.0000 -79.90317 -77.73887 2.16430 1.93481 -77.44410 514.09394
7120.0000 -80.21131 -78.09370 2.11761 1.88244 -77.98296 467.92563
7125.0000 -80.22679 -77.92616 2.30063 1.86043 -78.20942 435.92503
7130.0000 -79.87492 -77.33921 2.53571 1.91648 -77.63273 507.70095
7135.0000 -79.57836 -77.68423 1.89414 1.92471 -77.54809 505.18046
7140.0000 -80.27560 -77.75282 2.52278 1.89969 -77.80546 477.16319
7145.0000 -80.33043 -78.47661 1.85381 1.87264 -78.08380 482.41254
7150.0000 -80.52428 -78.71308 1.81119 1.85357 -78.27992 458.59332
7155.0000 -80.61064 -78.57135 2.03928 1.80267 -78.80368 408.08042
7160.0000 -80.62829 -78.51256 2.11573 1.82563 -78.56739 435.61280
7165.0000 -80.52079 -79.09457 1.42622 1.77205 -79.11869 366.83701
7170.0000 -80.28115 -78.14580 2.13535 1.81270 -78.70046 421.45696
7175.0000 -80.90177 -78.60674 2.29504 1.83207 -78.50113 438.09230
7180.0000 -80.52044 -78.49431 2.02613 1.82781 -78.54501 434.64200
7185.0000 -80.38313 -77.71751 2.66562 1.86130 -78.20043 478.01382
7190.0000 -79.58502 -77.89982 1.68519 1.86756 -78.13607 495.86937
7195.0000 -80.18040 -78.23273 1.94767 1.85034 -78.31316 463.56666
7200.0000 -80.07774 -78.43296 1.64478 1.85141 -78.30223 444.57714
7205.0000 -79.90669 -77.96660 1.94009 1.88544 -77.95207 504.22622
7210.0000 -79.90049 -77.83847 2.06202 1.89187 -77.88590 493.09728
7215.0000 -80.57312 -78.77529 1.79783 1.85036 -78.31303 466.34674
7220.0000 -80.32170 -77.97727 2.34443 1.84206 -78.39838 425.23442
7225.0000 -79.76736 -77.98744 1.77993 1.87186 -78.09176 459.05791
7230.0000 -80.08952 -77.95466 2.13486 1.87772 -78.03155 470.31706
7235.0000 -80.77627 -78.89925 1.87703 1.84699 -78.34761 455.30994
7240.0000 -80.10745 -78.12108 1.98637 1.84770 -78.34033 451.08156
7245.0000 -80.47015 -78.42665 2.04350 1.87737 -78.03510 484.07433
7250.0000 -80.09596 -78.49302 1.60294 1.82961 -78.52645 439.28612
FREEZING PROCESS: loop number 30 T-loop= 444.00000000000000
main_MD> interactions number 30 at Temperature= 444.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74856 -1.39381 1.17902
force_rgl> df(natom) -1.22343 0.57956 -1.92296
7255.0000 -80.82081 -78.94980 1.87101 1.82182 -78.60657 436.18961
7260.0000 -80.38864 -78.87635 1.51229 1.82653 -78.55813 446.09707
7265.0000 -80.18759 -78.81633 1.37125 1.82205 -78.60424 425.87797
7270.0000 -79.88937 -77.81513 2.07424 1.85079 -78.30858 443.95712
7275.0000 -79.69397 -77.75582 1.93815 1.89214 -77.88316 483.25520
7280.0000 -80.48067 -79.06741 1.41326 1.82953 -78.52726 398.52593
7285.0000 -79.90018 -77.92338 1.97680 1.83571 -78.46368 416.79826
7290.0000 -79.86431 -78.03222 1.83208 1.86889 -78.12233 441.42299
7295.0000 -80.16705 -78.45458 1.71246 1.88785 -77.92729 488.22896
7300.0000 -80.48928 -78.71562 1.77366 1.84180 -78.40101 467.69436
7305.0000 -80.19119 -78.45289 1.73830 1.83398 -78.48152 442.99682
7310.0000 -80.44155 -78.23008 2.21146 1.87097 -78.10093 475.84428
7315.0000 -80.48288 -78.89176 1.59111 1.82313 -78.59315 425.08201
7320.0000 -80.49858 -78.58294 1.91563 1.83140 -78.50806 453.75550
7325.0000 -80.42994 -78.24623 2.18371 1.82586 -78.56501 453.37293
7330.0000 -80.32183 -78.25817 2.06366 1.83677 -78.45277 470.17390
7335.0000 -80.65331 -78.72392 1.92939 1.84971 -78.31969 471.58380
7340.0000 -80.09179 -78.75322 1.33857 1.78792 -78.95540 392.92093
7345.0000 -80.38808 -78.64097 1.74711 1.81837 -78.64212 410.56883
7350.0000 -80.00049 -78.26415 1.73635 1.81827 -78.64314 432.35858
7355.0000 -80.57746 -78.72639 1.85107 1.85895 -78.22461 472.20150
7360.0000 -80.18394 -78.22059 1.96335 1.82697 -78.55366 447.18122
7365.0000 -79.65844 -78.01884 1.63960 1.85926 -78.22142 430.88979
7370.0000 -80.05993 -78.41008 1.64984 1.84120 -78.40720 432.73330
7375.0000 -79.72727 -78.03438 1.69289 1.83282 -78.49345 430.80309
7380.0000 -80.29861 -78.05528 2.24334 1.86707 -78.14106 455.83763
7385.0000 -80.51289 -78.66892 1.84397 1.83878 -78.43210 428.49025
7390.0000 -80.58285 -78.68005 1.90280 1.81300 -78.69732 400.11570
7395.0000 -80.40456 -78.89432 1.51025 1.81212 -78.70637 399.86673
7400.0000 -80.34509 -78.64848 1.69661 1.78408 -78.99489 385.81588
7405.0000 -80.05709 -78.64265 1.41444 1.80884 -78.74019 394.15727
7410.0000 -80.37529 -78.56677 1.80853 1.81475 -78.67937 405.23782
7415.0000 -79.97457 -78.11383 1.86074 1.84714 -78.34616 442.37264
7420.0000 -79.77806 -78.02517 1.75288 1.86973 -78.11371 461.79051
7425.0000 -80.26470 -77.80278 2.46193 1.89898 -77.81275 507.57369
7430.0000 -80.63336 -78.57800 2.05536 1.83453 -78.47586 436.72491
7435.0000 -80.57015 -78.87721 1.69293 1.83543 -78.46656 430.45330
7440.0000 -80.49057 -79.06671 1.42386 1.79594 -78.87287 373.77144
7445.0000 -80.32452 -78.47615 1.84837 1.83147 -78.50734 402.57290
7450.0000 -80.30781 -78.61389 1.69392 1.84250 -78.39381 424.65519
7455.0000 -80.26216 -78.46249 1.79967 1.84173 -78.40180 425.50797
7460.0000 -80.02097 -78.26354 1.75744 1.83176 -78.50435 450.15417
7465.0000 -80.12545 -78.08617 2.03927 1.87332 -78.07677 480.29225
7470.0000 -80.66979 -78.48172 2.18807 1.85964 -78.21750 441.44554
7475.0000 -80.12423 -78.08213 2.04210 1.84718 -78.34574 448.25391
7480.0000 -79.91540 -78.17998 1.73542 1.87142 -78.09628 466.26977
7485.0000 -79.75975 -77.88328 1.87647 1.86778 -78.13375 471.73542
7490.0000 -80.11851 -78.06121 2.05730 1.89824 -77.82037 501.39829
7495.0000 -81.02482 -78.58209 2.44273 1.83846 -78.43537 440.97258
7500.0000 -80.38897 -78.38686 2.00211 1.81944 -78.63109 442.99289
FREEZING PROCESS: loop number 31 T-loop= 419.00000000000000
main_MD> interactions number 31 at Temperature= 419.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38527 0.93098 0.11393
force_rgl> df(natom) 2.01605 -3.39783 3.68331
7505.0000 -80.47040 -78.83384 1.63656 1.80070 -78.82393 420.31958
7510.0000 -80.32424 -78.69757 1.62667 1.79338 -78.89926 415.12256
7515.0000 -80.82322 -78.92703 1.89620 1.79510 -78.88155 411.24841
7520.0000 -80.61028 -78.89738 1.71290 1.79616 -78.87062 416.74455
7525.0000 -80.18712 -78.35095 1.83617 1.82115 -78.61354 437.01416
7530.0000 -80.24374 -78.47769 1.76605 1.84973 -78.31951 474.78236
7535.0000 -80.52179 -78.37899 2.14280 1.84037 -78.41576 459.50312
7540.0000 -80.86515 -79.11506 1.75009 1.81217 -78.70592 438.57489
7545.0000 -81.29231 -79.70994 1.58237 1.78344 -79.00143 413.24876
7550.0000 -80.94280 -79.41528 1.52752 1.72197 -79.63387 324.99911
7555.0000 -81.16627 -79.28872 1.87755 1.77348 -79.10398 393.61094
7560.0000 -80.96930 -79.21528 1.75401 1.76455 -79.19585 386.99010
7565.0000 -80.79486 -78.79256 2.00230 1.78432 -78.99246 400.86186
7570.0000 -80.46328 -78.37376 2.08952 1.79815 -78.85014 419.26943
7575.0000 -80.45333 -78.06472 2.38861 1.83812 -78.43893 468.36310
7580.0000 -80.04758 -77.90557 2.14201 1.87991 -78.00901 475.62086
7585.0000 -80.21454 -78.34612 1.86842 1.87602 -78.04904 483.14499
7590.0000 -80.60376 -78.78412 1.81964 1.80693 -78.75984 394.02813
7595.0000 -80.71780 -78.96821 1.74960 1.79517 -78.88084 388.32751
7600.0000 -80.44551 -78.67747 1.76804 1.80767 -78.75219 415.72283
7605.0000 -80.44253 -78.87596 1.56656 1.78586 -78.97656 391.34002
7610.0000 -80.13680 -78.64830 1.48850 1.80994 -78.72880 418.00348
7615.0000 -80.71047 -78.94887 1.76160 1.80593 -78.77008 421.42563
7620.0000 -80.54531 -79.11909 1.42622 1.77769 -79.06062 375.23676
7625.0000 -80.86060 -79.29353 1.56707 1.77834 -79.05395 346.61631
7630.0000 -80.61610 -79.23004 1.38606 1.80377 -78.79228 384.49585
7635.0000 -80.39122 -78.75369 1.63754 1.78010 -79.03588 338.87625
7640.0000 -80.79792 -79.02572 1.77221 1.79662 -78.86584 367.98269
7645.0000 -80.75295 -78.74258 2.01037 1.79219 -78.91144 391.46718
7650.0000 -80.23179 -78.64402 1.58777 1.80482 -78.78154 401.75922
7655.0000 -80.14936 -78.16598 1.98337 1.83428 -78.47845 441.01620
7660.0000 -80.41977 -78.59373 1.82603 1.83515 -78.46944 442.42323
7665.0000 -80.82427 -78.64971 2.17456 1.81485 -78.67832 409.98686
7670.0000 -80.13643 -78.46741 1.66902 1.83016 -78.52077 453.02271
7675.0000 -80.13889 -78.84666 1.29223 1.82593 -78.56434 431.46109
7680.0000 -80.57673 -78.97010 1.60664 1.80804 -78.74840 417.96511
7685.0000 -79.79601 -77.82059 1.97542 1.83460 -78.47517 426.16551
7690.0000 -80.21856 -78.71628 1.50228 1.82551 -78.56866 422.32728
7695.0000 -80.72841 -78.79904 1.92936 1.82251 -78.59952 447.69934
7700.0000 -80.45639 -78.56007 1.89632 1.80182 -78.81234 406.35674
7705.0000 -80.64669 -79.01733 1.62935 1.81513 -78.67543 418.92249
7710.0000 -81.09478 -79.43854 1.65624 1.74905 -79.35532 364.26939
7715.0000 -80.61972 -78.87475 1.74498 1.78062 -79.03054 407.04588
7720.0000 -80.21823 -78.06793 2.15030 1.84225 -78.39645 445.66996
7725.0000 -80.07162 -78.36683 1.70479 1.81117 -78.71620 398.58572
7730.0000 -80.33406 -78.78069 1.55337 1.83113 -78.51079 427.83340
7735.0000 -81.00430 -79.31324 1.69107 1.80650 -78.76423 408.53830
7740.0000 -80.61185 -78.99217 1.61968 1.77546 -79.08361 365.33713
7745.0000 -80.78959 -79.03844 1.75116 1.77029 -79.13680 364.20743
7750.0000 -80.25494 -78.76920 1.48574 1.81321 -78.69523 398.76087
FREEZING PROCESS: loop number 32 T-loop= 394.00000000000000
main_MD> interactions number 32 at Temperature= 394.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29763 -1.96737 -0.67726
force_rgl> df(natom) -0.17607 0.24409 1.94614
7755.0000 -80.66947 -79.00876 1.66070 1.78778 -78.95683 376.67355
7760.0000 -80.48209 -78.54424 1.93785 1.81367 -78.69047 387.14053
7765.0000 -79.95406 -78.20175 1.75232 1.85971 -78.21676 472.50794
7770.0000 -80.90133 -79.21827 1.68306 1.83161 -78.50589 434.22859
7775.0000 -80.92659 -79.10222 1.82438 1.78283 -79.00775 385.58176
7780.0000 -80.37580 -78.64788 1.72791 1.77845 -79.05278 384.59722
7785.0000 -80.26511 -78.63794 1.62717 1.82599 -78.56371 433.81912
7790.0000 -80.61769 -78.73797 1.87973 1.81893 -78.63631 431.15510
7795.0000 -80.77276 -79.12458 1.64818 1.78618 -78.97325 389.15892
7800.0000 -80.77959 -79.16082 1.61876 1.77668 -79.07107 378.99553
7805.0000 -80.77928 -79.10725 1.67203 1.76128 -79.22942 370.82137
7810.0000 -80.60088 -78.96251 1.63837 1.79134 -78.92024 400.73905
7815.0000 -80.81626 -79.50319 1.31307 1.74112 -79.43689 336.42961
7820.0000 -80.63841 -78.78558 1.85282 1.79245 -78.90874 408.22861
7825.0000 -80.53424 -79.07794 1.45631 1.81236 -78.70392 421.52488
7830.0000 -80.31714 -78.73764 1.57950 1.76848 -79.15534 384.93847
7835.0000 -80.87689 -79.71301 1.16388 1.76791 -79.16126 375.56451
7840.0000 -80.63454 -79.00086 1.63368 1.75440 -79.30026 353.11755
7845.0000 -80.53829 -78.74204 1.79625 1.80196 -78.81097 414.92378
7850.0000 -81.12178 -79.04196 2.07982 1.80853 -78.74337 414.77781
7855.0000 -80.04562 -78.45232 1.59330 1.81479 -78.67893 424.02851
7860.0000 -80.77985 -78.99041 1.78944 1.80484 -78.78133 414.22956
7865.0000 -80.58792 -78.91846 1.66946 1.78599 -78.97523 401.83819
7870.0000 -80.43057 -78.77385 1.65672 1.81394 -78.68773 377.29735
7875.0000 -80.30669 -78.83687 1.46982 1.81407 -78.68631 391.01305
7880.0000 -80.70007 -78.91307 1.78700 1.78454 -78.99013 383.38361
7885.0000 -80.81506 -78.97890 1.83615 1.78938 -78.94039 418.46609
7890.0000 -80.94236 -79.21016 1.73220 1.76859 -79.15430 390.28668
7895.0000 -80.65865 -79.23846 1.42019 1.74918 -79.35393 366.04569
7900.0000 -80.49000 -78.98216 1.50783 1.77507 -79.08761 387.07622
7905.0000 -80.52074 -78.51279 2.00796 1.81009 -78.72732 398.12765
7910.0000 -80.56311 -78.59208 1.97103 1.80382 -78.79177 390.78538
7915.0000 -80.49400 -78.85211 1.64189 1.84468 -78.37141 430.14931
7920.0000 -80.96597 -79.25161 1.71436 1.77507 -79.08762 367.07907
7925.0000 -80.63857 -78.64389 1.99469 1.78623 -78.97278 386.15579
7930.0000 -80.87692 -79.03055 1.84637 1.80721 -78.75688 409.53056
7935.0000 -80.65348 -79.09767 1.55581 1.80399 -78.79002 420.27522
7940.0000 -80.60534 -78.70045 1.90489 1.78024 -79.03443 397.09410
7945.0000 -80.58061 -79.12702 1.45359 1.77948 -79.04223 380.43794
7950.0000 -80.51937 -78.90472 1.61465 1.77617 -79.07628 375.81155
7955.0000 -80.75722 -79.13401 1.62322 1.76976 -79.14220 348.28163
7960.0000 -80.95877 -79.40061 1.55817 1.77313 -79.10758 357.17851
7965.0000 -80.70434 -79.53800 1.16634 1.72859 -79.56576 327.03997
7970.0000 -80.30432 -78.58350 1.72082 1.77973 -79.03966 382.49396
7975.0000 -80.69709 -79.14289 1.55419 1.78201 -79.01622 386.91318
7980.0000 -80.45538 -79.15787 1.29751 1.76620 -79.17888 372.55016
7985.0000 -80.52062 -78.72916 1.79146 1.78344 -79.00149 381.00277
7990.0000 -80.35758 -78.81148 1.54610 1.78486 -78.98691 376.75492
7995.0000 -80.70086 -78.88457 1.81629 1.80618 -78.76754 387.68495
8000.0000 -80.40626 -78.68104 1.72521 1.79645 -78.86760 393.26228
FREEZING PROCESS: loop number 33 T-loop= 369.00000000000000
main_MD> interactions number 33 at Temperature= 369.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86297 0.03895 -0.52254
force_rgl> df(natom) 0.63079 -0.29769 0.45575
8005.0000 -80.50004 -78.48639 2.01365 1.82042 -78.62104 419.66321
8010.0000 -80.64755 -79.21426 1.43329 1.80326 -78.79752 396.65238
8015.0000 -80.72941 -79.11087 1.61854 1.76522 -79.18893 359.91477
8020.0000 -80.72066 -79.38745 1.33321 1.76704 -79.17022 371.44336
8025.0000 -80.36805 -78.82284 1.54521 1.77414 -79.09718 380.38692
8030.0000 -80.88431 -79.22631 1.65800 1.77501 -79.08816 391.64892
8035.0000 -80.91319 -79.39819 1.51500 1.75656 -79.27803 361.03814
8040.0000 -80.58028 -78.84914 1.73114 1.77856 -79.05173 385.89553
8045.0000 -80.75715 -79.05225 1.70490 1.78224 -79.01386 361.57924
8050.0000 -80.48399 -78.80005 1.68394 1.79822 -78.84942 380.20428
8055.0000 -80.58999 -79.21317 1.37682 1.79520 -78.88051 381.28711
8060.0000 -80.41779 -79.01981 1.39798 1.77477 -79.09071 359.59077
8065.0000 -80.61358 -78.87836 1.73522 1.79289 -78.90427 397.51539
8070.0000 -80.81361 -79.32763 1.48599 1.77832 -79.05417 393.24943
8075.0000 -81.16932 -80.10178 1.06753 1.70815 -79.77609 303.48925
8080.0000 -80.78992 -79.15585 1.63407 1.73755 -79.47356 336.73223
8085.0000 -81.03538 -79.34182 1.69356 1.76147 -79.22754 365.07564
8090.0000 -80.97957 -79.05555 1.92403 1.76689 -79.17173 379.97964
8095.0000 -81.05765 -79.20411 1.85354 1.77013 -79.13843 378.34122
8100.0000 -80.71196 -79.12283 1.58913 1.75510 -79.29302 357.24367
8105.0000 -80.85925 -79.33943 1.51982 1.75275 -79.31717 345.95337
8110.0000 -80.68647 -79.37355 1.31291 1.73344 -79.51592 320.55987
8115.0000 -81.21221 -79.70655 1.50566 1.72333 -79.61989 311.10853
8120.0000 -81.02121 -79.63638 1.38482 1.73490 -79.50091 333.66533
8125.0000 -81.02035 -79.52938 1.49096 1.75747 -79.26864 369.34146
8130.0000 -81.14704 -79.88432 1.26272 1.73042 -79.54693 333.50107
8135.0000 -80.74854 -79.48781 1.26073 1.71251 -79.73119 319.74560
8140.0000 -81.11629 -79.26163 1.85466 1.73125 -79.53839 339.27490
8145.0000 -80.73670 -79.68695 1.04975 1.73258 -79.52471 337.59863
8150.0000 -80.60246 -79.09025 1.51221 1.72503 -79.60241 324.37162
8155.0000 -80.79621 -79.09918 1.69703 1.73598 -79.48977 340.15213
8160.0000 -80.64394 -79.62943 1.01451 1.74864 -79.35951 357.15765
8165.0000 -81.33559 -79.97175 1.36384 1.70243 -79.83493 309.22338
8170.0000 -81.06085 -79.32672 1.73414 1.72278 -79.62559 322.67507
8175.0000 -81.11871 -79.63025 1.48845 1.76125 -79.22981 360.16806
8180.0000 -81.04421 -79.60084 1.44337 1.73042 -79.54692 326.12034
8185.0000 -80.78111 -79.33661 1.44451 1.74695 -79.37691 343.07125
8190.0000 -80.99388 -79.79874 1.19514 1.75332 -79.31132 343.42338
8195.0000 -80.88009 -79.35045 1.52965 1.70602 -79.79799 308.09571
8200.0000 -80.54005 -79.37689 1.16316 1.72311 -79.62218 325.11313
8205.0000 -80.32139 -79.09249 1.22890 1.74794 -79.36674 347.36968
8210.0000 -80.55694 -79.02853 1.52841 1.77176 -79.12161 370.35185
8215.0000 -80.53141 -78.89018 1.64123 1.76492 -79.19206 369.82396
8220.0000 -80.90628 -78.88718 2.01910 1.80962 -78.73210 417.83433
8225.0000 -80.84248 -79.18227 1.66022 1.76594 -79.18149 371.82922
8230.0000 -80.62260 -78.73375 1.88885 1.77679 -79.06989 386.19563
8235.0000 -79.91708 -78.13885 1.77823 1.84672 -78.35041 451.50756
8240.0000 -80.16588 -77.91510 2.25078 1.86272 -78.18583 473.43541
8245.0000 -80.31193 -78.79683 1.51510 1.82112 -78.61381 417.94248
8250.0000 -80.40272 -78.61505 1.78767 1.81865 -78.63920 412.43387
FREEZING PROCESS: loop number 34 T-loop= 344.00000000000000
main_MD> interactions number 34 at Temperature= 344.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50632 0.46421 -1.01314
force_rgl> df(natom) 2.06087 -1.23321 -0.63986
8255.0000 -80.75146 -79.16024 1.59122 1.76515 -79.18970 347.22661
8260.0000 -80.39025 -78.86297 1.52728 1.77608 -79.07719 366.02340
8265.0000 -80.47301 -79.22612 1.24688 1.79954 -78.83584 398.46667
8270.0000 -80.85004 -78.98876 1.86128 1.75525 -79.29152 360.16767
8275.0000 -80.97630 -79.24732 1.72898 1.77553 -79.08286 399.59506
8280.0000 -81.24761 -79.66103 1.58658 1.72821 -79.56969 352.99009
8285.0000 -80.97400 -79.45539 1.51861 1.72033 -79.65080 346.18438
8290.0000 -80.95187 -79.50677 1.44510 1.72939 -79.55754 358.10164
8295.0000 -81.44371 -79.94060 1.50311 1.68618 -80.00213 309.71773
8300.0000 -81.32568 -79.72771 1.59796 1.69274 -79.93464 314.22246
8305.0000 -81.25472 -79.59252 1.66220 1.71683 -79.68673 341.83118
8310.0000 -81.25593 -80.09735 1.15858 1.68648 -79.99898 308.11336
8315.0000 -81.31890 -79.87653 1.44237 1.70906 -79.76674 332.32290
8320.0000 -81.13028 -79.30850 1.82179 1.74715 -79.37479 358.42878
8325.0000 -80.90699 -79.41912 1.48787 1.73678 -79.48154 353.41871
8330.0000 -80.89310 -79.40725 1.48585 1.74964 -79.34920 359.16122
8335.0000 -80.82298 -79.49112 1.33186 1.74597 -79.38700 363.07182
8340.0000 -81.06365 -79.50082 1.56282 1.74401 -79.40716 353.80256
8345.0000 -80.96549 -79.39122 1.57427 1.73035 -79.54765 358.55758
8350.0000 -81.13898 -79.75398 1.38500 1.72472 -79.60563 347.24224
8355.0000 -81.16835 -79.53508 1.63327 1.71791 -79.67562 338.21028
8360.0000 -81.00064 -79.61966 1.38099 1.74353 -79.41207 365.48028
8365.0000 -81.11874 -79.21562 1.90312 1.75020 -79.34347 358.60436
8370.0000 -81.08215 -79.65117 1.43098 1.74414 -79.40582 351.08404
8375.0000 -81.00875 -79.65974 1.34901 1.70485 -79.81008 305.02176
8380.0000 -81.14492 -79.94436 1.20056 1.69034 -79.95927 292.28896
8385.0000 -80.88069 -78.98575 1.89494 1.71847 -79.66992 308.59316
8390.0000 -81.00092 -79.82215 1.17877 1.73953 -79.45321 342.25261
8395.0000 -80.80784 -79.17007 1.63776 1.72292 -79.62417 323.81130
8400.0000 -80.73188 -79.22706 1.50482 1.76310 -79.21076 367.72562
8405.0000 -81.03550 -79.39386 1.64165 1.76063 -79.23612 376.68058
8410.0000 -80.11593 -78.83510 1.28083 1.77206 -79.11851 392.94822
8415.0000 -80.76808 -79.31019 1.45789 1.76256 -79.21628 371.81601
8420.0000 -81.40572 -79.59329 1.81243 1.72874 -79.56429 332.72893
8425.0000 -80.81714 -79.67311 1.14403 1.71303 -79.72592 325.33622
8430.0000 -81.15117 -79.48584 1.66534 1.72529 -79.59971 341.19897
8435.0000 -80.89485 -79.60489 1.28996 1.75004 -79.34507 360.15130
8440.0000 -80.73661 -79.14307 1.59354 1.72574 -79.59509 323.65769
8445.0000 -81.03536 -79.76795 1.26741 1.74352 -79.41214 363.05624
8450.0000 -80.31250 -79.10712 1.20538 1.74379 -79.40937 358.62010
8455.0000 -81.14197 -79.19090 1.95107 1.78668 -78.96817 400.87126
8460.0000 -80.98364 -79.27553 1.70811 1.76010 -79.24159 386.38943
8465.0000 -81.37832 -79.48922 1.88909 1.74774 -79.36882 361.28386
8470.0000 -81.23079 -79.68259 1.54820 1.72090 -79.64494 333.76101
8475.0000 -81.30693 -79.88886 1.41807 1.71526 -79.70292 320.84249
8480.0000 -81.08798 -79.48857 1.59942 1.70914 -79.76588 321.26439
8485.0000 -80.95731 -79.52081 1.43651 1.72605 -79.59196 344.86034
8490.0000 -81.15313 -79.62776 1.52537 1.73304 -79.52003 358.49676
8495.0000 -80.97425 -79.78378 1.19048 1.72513 -79.60141 329.58106
8500.0000 -81.35647 -79.66401 1.69246 1.71238 -79.73256 328.85508
FREEZING PROCESS: loop number 35 T-loop= 319.00000000000000
main_MD> interactions number 35 at Temperature= 319.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22397 1.01043 0.36459
force_rgl> df(natom) -2.31194 0.36942 -1.30974
8505.0000 -81.01888 -79.49992 1.51896 1.73196 -79.53113 341.71344
8510.0000 -81.45735 -80.06643 1.39092 1.70371 -79.82172 318.20375
8515.0000 -81.35412 -80.01244 1.34168 1.68526 -80.01153 299.46141
8520.0000 -81.36983 -80.37447 0.99537 1.66413 -80.22899 272.36713
8525.0000 -81.57531 -80.22812 1.34719 1.64676 -80.40768 250.23617
8530.0000 -81.15233 -79.88467 1.26766 1.69438 -79.91770 307.57271
8535.0000 -80.40048 -79.09763 1.30285 1.74818 -79.36427 360.91455
8540.0000 -81.21847 -79.81786 1.40061 1.74026 -79.44573 352.68329
8545.0000 -81.05704 -79.80044 1.25660 1.69456 -79.91586 281.97127
8550.0000 -81.00751 -79.62277 1.38475 1.72139 -79.63986 313.94843
8555.0000 -80.98850 -80.06894 0.91956 1.69647 -79.89622 279.68382
8560.0000 -81.21955 -80.03398 1.18557 1.68481 -80.01617 277.68002
8565.0000 -81.35144 -80.08879 1.26264 1.69458 -79.91570 310.38451
8570.0000 -81.30100 -80.10410 1.19690 1.68319 -80.03290 296.77993
8575.0000 -81.31492 -80.19322 1.12171 1.67043 -80.16417 276.39198
8580.0000 -80.89427 -79.58488 1.30939 1.70383 -79.82055 320.09125
8585.0000 -80.88204 -78.95621 1.92582 1.75313 -79.31334 371.73485
8590.0000 -81.07496 -79.19116 1.88380 1.76500 -79.19116 380.67341
8595.0000 -80.85313 -79.57019 1.28295 1.73805 -79.46847 340.79949
8600.0000 -81.12692 -79.52192 1.60500 1.72440 -79.60891 329.41077
8605.0000 -80.85255 -79.55514 1.29741 1.74372 -79.41011 340.44887
8610.0000 -80.43407 -79.08212 1.35195 1.73492 -79.50069 328.16791
8615.0000 -81.00710 -79.66238 1.34472 1.75451 -79.29911 343.65805
8620.0000 -81.09397 -79.58772 1.50624 1.73176 -79.53313 320.86117
8625.0000 -81.16848 -79.82172 1.34676 1.70307 -79.82839 290.87820
8630.0000 -80.78792 -79.29049 1.49743 1.72645 -79.58783 315.71492
8635.0000 -81.13811 -79.78977 1.34834 1.72717 -79.58037 325.55425
8640.0000 -80.50344 -79.20118 1.30226 1.73318 -79.51860 313.52869
8645.0000 -80.85201 -79.27971 1.57230 1.79140 -78.91962 394.53657
8650.0000 -80.77540 -79.47947 1.29593 1.75714 -79.27209 347.87116
8655.0000 -81.17331 -79.86848 1.30483 1.70640 -79.79407 308.80781
8660.0000 -81.20817 -79.50299 1.70519 1.72393 -79.61376 312.28911
8665.0000 -80.89517 -79.53500 1.36016 1.73487 -79.50114 316.34698
8670.0000 -80.99723 -79.39636 1.60088 1.74060 -79.44225 333.31698
8675.0000 -81.01644 -79.67788 1.33856 1.71962 -79.65812 316.00709
8680.0000 -81.14089 -79.92617 1.21472 1.72398 -79.61321 331.24333
8685.0000 -81.36492 -80.24217 1.12275 1.67408 -80.12659 279.89594
8690.0000 -81.31671 -79.96039 1.35631 1.66001 -80.27135 263.99261
8695.0000 -81.33648 -80.25544 1.08104 1.68279 -80.03697 288.87523
8700.0000 -80.76132 -79.60145 1.15988 1.68281 -80.03676 287.14331
8705.0000 -80.90593 -79.56025 1.34567 1.73748 -79.47434 353.26728
8710.0000 -81.01364 -79.49097 1.52267 1.72022 -79.65193 334.74342
8715.0000 -81.11786 -79.85758 1.26028 1.73850 -79.46380 346.29580
8720.0000 -81.24946 -80.12479 1.12468 1.69376 -79.92412 299.89923
8725.0000 -81.28120 -79.83235 1.44885 1.72863 -79.56540 334.76800
8730.0000 -80.97495 -79.87295 1.10200 1.70822 -79.77532 316.51090
8735.0000 -81.14037 -79.70569 1.43468 1.69923 -79.86786 297.87539
8740.0000 -81.14562 -79.83195 1.31367 1.70156 -79.84385 300.60555
8745.0000 -80.48742 -79.26197 1.22545 1.72310 -79.62224 316.78007
8750.0000 -80.78125 -79.31377 1.46748 1.74493 -79.39772 337.00252
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 5 [min], 44.0755373 [s].
main_MD> Deallocating global variables
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