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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_85/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_85.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 = 85 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: 85 8500
main_MD> Size of nv and nvoiz: 85 8500
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 = 85
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.10821565198741968 -5.1043887058634725E-002 -0.13833475366615619 initial drift of cluster / NP1 for coalescence
init> 0.33896389310398695 0.35857847268141479 0.33509733910853634 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6881078879501205E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18564 3.06802 0.35729
force_rgl> df(natom) 0.54908 0.90436 -2.02891
preparo> THERMALIZATION PROCESS AT 1179.2287440865121
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -192.25752467140529 9.4826544853259662 -201.74017915673124 6.3981459151714088E-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= 1155.0000000000000
main_MD> interactions number 1 at Temperature= 1155.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.54050 3.19581 4.88878
force_rgl> df(natom) 3.01394 0.44682 1.71005
5.0000 -201.70276 -190.18285 11.51992 3.07039 -191.39297 1076.61861
10.0000 -202.74411 -190.28780 12.45631 3.17712 -189.32958 1135.62918
15.0000 -200.37062 -188.79804 11.57259 3.18074 -189.25967 1153.36961
20.0000 -200.93537 -188.81777 12.11760 3.25312 -187.86033 1169.94279
25.0000 -202.94918 -188.95382 13.99536 3.23533 -188.20433 1203.54258
30.0000 -201.81357 -188.62983 13.18374 3.24020 -188.11001 1226.64228
35.0000 -203.41247 -192.85999 10.55248 3.08573 -191.09635 1072.59413
40.0000 -201.48654 -188.94175 12.54478 3.13303 -190.18190 1115.29649
45.0000 -201.98082 -188.47258 13.50824 3.19649 -188.95501 1154.36006
50.0000 -200.99209 -187.16612 13.82597 3.21030 -188.68806 1179.54862
55.0000 -202.71705 -189.75328 12.96378 3.26150 -187.69823 1206.98305
60.0000 -202.19389 -190.43787 11.75602 3.07692 -191.26664 1065.84874
65.0000 -202.68220 -190.84811 11.83409 3.10668 -190.69139 1089.70994
70.0000 -201.21682 -188.53235 12.68447 3.10348 -190.75315 1126.14321
75.0000 -203.13356 -188.19125 14.94231 3.27233 -187.48899 1211.38927
80.0000 -201.78792 -190.02036 11.76756 3.18087 -189.25697 1175.31613
85.0000 -200.53090 -184.97434 15.55657 3.31834 -186.59949 1253.75227
90.0000 -201.08639 -185.48431 15.60208 3.35614 -185.86867 1266.19278
95.0000 -201.15192 -187.37032 13.78160 3.31209 -186.72027 1248.38218
100.0000 -198.95078 -186.74653 12.20424 3.24972 -187.92608 1200.65679
105.0000 -202.30506 -190.75283 11.55223 3.19369 -189.00924 1145.85138
110.0000 -200.84697 -188.48580 12.36117 3.11041 -190.61914 1083.62206
115.0000 -202.08635 -190.38041 11.70594 3.14153 -190.01759 1113.43689
120.0000 -200.75596 -186.96817 13.78779 3.20220 -188.84467 1146.74404
125.0000 -201.06981 -188.98558 12.08423 3.15723 -189.71402 1135.27855
130.0000 -201.70377 -189.92845 11.77532 3.19247 -189.03280 1176.07825
135.0000 -205.39115 -193.10932 12.28183 3.15069 -189.84053 1160.86185
140.0000 -203.46873 -191.88956 11.57918 3.03877 -192.00425 1059.75290
145.0000 -202.79580 -190.49402 12.30178 3.02801 -192.21221 1038.39634
150.0000 -201.86974 -190.05244 11.81730 3.09602 -190.89742 1112.32061
155.0000 -203.53939 -188.85633 14.68306 3.21737 -188.55146 1175.85005
160.0000 -202.06844 -189.32539 12.74305 3.16947 -189.47740 1167.96231
165.0000 -202.37777 -189.61713 12.76064 3.18137 -189.24739 1169.47700
170.0000 -202.54342 -189.74028 12.80314 3.13005 -190.23958 1111.86793
175.0000 -203.67720 -191.36578 12.31142 3.13048 -190.23112 1132.89262
180.0000 -203.34294 -190.85978 12.48315 3.04680 -191.84900 1078.38367
185.0000 -203.08711 -189.95845 13.12866 3.16893 -189.48783 1144.80286
190.0000 -201.78695 -187.54357 14.24338 3.17484 -189.37363 1142.75840
195.0000 -199.86457 -186.59209 13.27249 3.23956 -188.12240 1216.57062
200.0000 -200.54901 -186.47851 14.07050 3.29781 -186.99647 1242.05570
205.0000 -202.41729 -190.00070 12.41659 3.18111 -189.25236 1153.89357
210.0000 -200.59105 -188.38914 12.20191 3.20365 -188.81662 1183.35629
215.0000 -200.90323 -187.61281 13.29042 3.21587 -188.58046 1151.61895
220.0000 -199.59266 -185.96459 13.62807 3.34204 -186.14128 1289.22146
225.0000 -200.46040 -188.56962 11.89078 3.31854 -186.59556 1219.52945
230.0000 -200.34759 -186.71246 13.63513 3.22905 -188.32557 1178.69432
235.0000 -198.63302 -185.21256 13.42046 3.39336 -185.14923 1290.89686
240.0000 -200.48144 -187.56180 12.91964 3.25508 -187.82244 1171.38225
245.0000 -199.07287 -186.51036 12.56251 3.22587 -188.38715 1164.34482
250.0000 -198.56370 -186.09257 12.47113 3.30470 -186.86324 1240.73559
FREEZING PROCESS: loop number 2 T-loop= 1130.0000000000000
main_MD> interactions number 2 at Temperature= 1130.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.78316 -0.02895 0.22952
force_rgl> df(natom) 4.53337 4.33183 -1.66102
255.0000 -202.50684 -189.73894 12.76791 3.22844 -188.33741 1196.52412
260.0000 -199.91360 -186.93875 12.97485 3.21176 -188.65991 1191.89195
265.0000 -204.74286 -189.14506 15.59780 3.27302 -187.47559 1225.93445
270.0000 -201.49553 -190.23461 11.26091 3.12148 -190.40513 1150.76729
275.0000 -202.97256 -189.71683 13.25573 3.14411 -189.96772 1135.77269
280.0000 -203.48939 -189.84446 13.64493 3.08732 -191.06563 1090.20555
285.0000 -203.31288 -190.90842 12.40446 3.13229 -190.19630 1119.83136
290.0000 -201.39788 -187.14957 14.24831 3.10945 -190.63776 1073.71655
295.0000 -200.91039 -188.92952 11.98087 3.24013 -188.11150 1187.15463
300.0000 -202.07340 -189.93371 12.13969 3.12216 -190.39207 1105.07009
305.0000 -202.08495 -189.90112 12.18384 3.17005 -189.46626 1151.03758
310.0000 -202.56278 -187.85915 14.70363 3.17358 -189.39809 1136.95185
315.0000 -201.66272 -190.45635 11.20638 3.19214 -189.03927 1138.28215
320.0000 -201.06406 -188.91425 12.14981 3.20876 -188.71789 1137.40311
325.0000 -200.84883 -187.27482 13.57401 3.19020 -189.07667 1162.89014
330.0000 -200.24474 -185.26298 14.98177 3.34616 -186.06161 1273.79757
335.0000 -202.19619 -189.49404 12.70216 3.27517 -187.43399 1200.79988
340.0000 -201.10135 -190.26860 10.83275 3.15484 -189.76038 1127.48830
345.0000 -202.05597 -186.97567 15.08030 3.18019 -189.27018 1129.50562
350.0000 -203.68965 -188.85035 14.83929 3.30412 -186.87447 1211.32522
355.0000 -201.56761 -190.06859 11.49902 3.20478 -188.79492 1176.79965
360.0000 -202.79281 -189.78997 13.00284 3.17771 -189.31809 1169.55832
365.0000 -206.43324 -191.67056 14.76268 3.12246 -190.38616 1091.98911
370.0000 -203.16123 -190.46423 12.69700 3.08314 -191.14635 1097.87516
375.0000 -201.49957 -189.69383 11.80574 3.21943 -188.51153 1189.67417
380.0000 -203.51174 -190.42372 13.08802 3.09528 -190.91175 1107.97398
385.0000 -203.72285 -191.57193 12.15093 3.02952 -192.18297 1065.13209
390.0000 -202.10758 -191.37960 10.72798 3.08101 -191.18753 1090.18205
395.0000 -203.22883 -190.77094 12.45789 3.07653 -191.27411 1080.91294
400.0000 -203.05847 -192.86464 10.19384 3.08620 -191.08729 1069.51470
405.0000 -201.01991 -189.98904 11.03087 3.14081 -190.03152 1115.55283
410.0000 -201.43355 -188.23237 13.20117 3.24697 -187.97924 1169.62203
415.0000 -202.19812 -188.77128 13.42683 3.18079 -189.25864 1168.95984
420.0000 -204.46045 -191.11349 13.34696 3.12595 -190.31885 1158.70291
425.0000 -202.02839 -190.37489 11.65351 3.09657 -190.88686 1103.59551
430.0000 -203.77549 -191.69860 12.07689 3.07536 -191.29688 1116.19490
435.0000 -199.73037 -186.98800 12.74237 3.19078 -189.06543 1161.16309
440.0000 -202.00992 -190.94980 11.06012 3.15192 -189.81664 1137.56751
445.0000 -202.71506 -189.16678 13.54828 3.13028 -190.23505 1127.65133
450.0000 -202.27218 -188.04329 14.22889 3.25439 -187.83578 1200.62376
455.0000 -203.93524 -191.92150 12.01374 3.12600 -190.31787 1125.97770
460.0000 -202.92543 -189.81349 13.11194 3.10446 -190.73432 1080.42779
465.0000 -202.57995 -190.02029 12.55966 3.18686 -189.14136 1148.12503
470.0000 -202.62168 -191.74277 10.87891 3.11644 -190.50264 1120.74419
475.0000 -201.71289 -189.29387 12.41901 3.16950 -189.47681 1140.60136
480.0000 -201.65341 -186.54660 15.10681 3.24466 -188.02379 1176.03553
485.0000 -203.26561 -187.69165 15.57396 3.24264 -188.06286 1190.51085
490.0000 -202.13377 -187.62477 14.50900 3.19980 -188.89103 1151.84941
495.0000 -200.97113 -190.07831 10.89282 3.21638 -188.57059 1177.08578
500.0000 -206.65725 -193.40317 13.25408 3.02059 -192.35571 1076.56492
FREEZING PROCESS: loop number 3 T-loop= 1105.0000000000000
main_MD> interactions number 3 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.37335 -0.51201 -3.32118
force_rgl> df(natom) 0.41808 -0.28650 -4.17994
505.0000 -203.03044 -191.54702 11.48342 2.99402 -192.86926 1027.61835
510.0000 -206.27619 -193.51503 12.76115 3.02988 -192.17610 1044.95211
515.0000 -205.73425 -192.88698 12.84727 2.98779 -192.98975 1070.66366
520.0000 -202.66017 -191.52178 11.13839 2.99807 -192.79104 1050.88044
525.0000 -203.71591 -189.07319 14.64273 3.11112 -190.60551 1113.90671
530.0000 -204.50245 -192.25173 12.25072 3.12036 -190.42691 1116.42437
535.0000 -201.62967 -189.48220 12.14746 3.05521 -191.68629 1079.93271
540.0000 -203.90586 -191.52622 12.37965 3.11575 -190.51602 1105.56901
545.0000 -203.72088 -191.64079 12.08009 3.03714 -192.03575 1072.59903
550.0000 -203.83380 -190.66153 13.17227 3.07226 -191.35680 1100.51858
555.0000 -204.81268 -191.86544 12.94723 3.06678 -191.46269 1074.87747
560.0000 -202.92369 -190.99788 11.92581 3.02425 -192.28485 1057.36027
565.0000 -205.74838 -193.59948 12.14889 3.02490 -192.27223 1055.41939
570.0000 -205.84526 -193.47006 12.37520 2.98573 -193.02961 1051.72365
575.0000 -203.26989 -191.14119 12.12870 2.98984 -192.95014 1059.09513
580.0000 -203.46574 -188.52577 14.93996 3.14653 -189.92087 1153.05266
585.0000 -202.89061 -189.73544 13.15517 3.22522 -188.39968 1176.72023
590.0000 -201.75978 -189.07226 12.68752 3.07428 -191.31767 1084.97063
595.0000 -202.07503 -190.02331 12.05172 3.09772 -190.86453 1136.30062
600.0000 -203.05152 -192.34970 10.70181 3.03321 -192.11171 1097.81862
605.0000 -205.79152 -194.45353 11.33799 2.98603 -193.02373 1040.77853
610.0000 -204.01677 -192.12575 11.89102 2.99979 -192.75766 1071.19347
615.0000 -204.55203 -190.41157 14.14046 3.06597 -191.47836 1086.75996
620.0000 -202.81899 -189.93819 12.88080 3.13914 -190.06383 1139.76931
625.0000 -202.20385 -190.52544 11.67841 3.13217 -190.19863 1111.26589
630.0000 -202.07119 -189.78349 12.28770 3.14613 -189.92874 1120.30442
635.0000 -201.12682 -190.31528 10.81155 3.18109 -189.25275 1136.50407
640.0000 -201.32809 -189.37300 11.95508 3.12879 -190.26387 1130.62821
645.0000 -201.59140 -191.57336 10.01805 3.08726 -191.06671 1071.52930
650.0000 -202.29033 -189.79891 12.49142 3.04898 -191.80676 1055.86785
655.0000 -202.66032 -191.03410 11.62622 3.11603 -190.51064 1106.16299
660.0000 -201.57568 -189.08247 12.49321 3.11461 -190.53803 1110.30180
665.0000 -202.06065 -190.64808 11.41257 3.12507 -190.33584 1130.00090
670.0000 -203.37703 -191.87530 11.50173 3.06215 -191.55212 1106.62158
675.0000 -201.14939 -189.81872 11.33067 3.11921 -190.44913 1106.07575
680.0000 -203.65736 -191.30873 12.34862 3.16101 -189.64107 1141.41630
685.0000 -204.77361 -193.00692 11.76669 3.02733 -192.22528 1071.06140
690.0000 -205.03782 -193.95254 11.08527 2.96709 -193.38985 1019.96938
695.0000 -202.99665 -192.14083 10.85582 2.99286 -192.89160 1029.47922
700.0000 -202.15728 -189.96445 12.19283 3.11042 -190.61908 1092.12345
705.0000 -201.79590 -189.98610 11.80980 3.07967 -191.21345 1103.61714
710.0000 -203.37986 -191.57311 11.80675 3.06990 -191.40238 1079.09147
715.0000 -202.59253 -190.77501 11.81751 3.09121 -190.99031 1109.60586
720.0000 -203.23829 -189.04046 14.19782 3.19053 -189.07029 1160.40922
725.0000 -202.11487 -189.14427 12.97060 3.17118 -189.44441 1159.95623
730.0000 -204.88095 -193.31150 11.56945 3.10144 -190.79266 1077.74921
735.0000 -206.37591 -194.29591 12.08001 2.97067 -193.32068 1038.30279
740.0000 -203.55694 -192.88198 10.67496 3.03289 -192.11779 1076.72968
745.0000 -203.63751 -191.04040 12.59711 3.07630 -191.27865 1089.84605
750.0000 -202.12672 -189.87388 12.25284 3.12173 -190.40038 1121.69371
FREEZING PROCESS: loop number 4 T-loop= 1080.0000000000000
main_MD> interactions number 4 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25059 -2.35987 -3.41300
force_rgl> df(natom) -1.44494 2.86013 1.86412
755.0000 -202.03558 -190.18873 11.84685 3.21699 -188.55874 1211.38841
760.0000 -202.13700 -189.76822 12.36877 3.14074 -190.03283 1127.42981
765.0000 -203.32518 -191.86761 11.45756 3.09884 -190.84283 1082.21783
770.0000 -205.54467 -193.45727 12.08740 2.98078 -193.12518 1023.74355
775.0000 -205.46697 -192.76830 12.69867 2.99203 -192.90769 1019.17529
780.0000 -203.48810 -190.69081 12.79728 3.06199 -191.55528 1067.30285
785.0000 -203.02212 -190.52490 12.49723 3.11693 -190.49309 1107.60927
790.0000 -201.98725 -190.71139 11.27587 3.04796 -191.82651 1071.32604
795.0000 -203.22726 -191.32185 11.90541 3.11897 -190.45367 1082.82092
800.0000 -202.04296 -190.72915 11.31382 3.08551 -191.10056 1093.93043
805.0000 -204.97131 -193.34390 11.62741 2.98228 -193.09615 1026.29836
810.0000 -202.83089 -190.36848 12.46241 3.05301 -191.72878 1077.33486
815.0000 -203.74820 -192.13424 11.61396 3.04610 -191.86242 1079.47535
820.0000 -203.57393 -193.26202 10.31191 3.06320 -191.53183 1038.70019
825.0000 -204.57969 -193.49712 11.08257 2.93564 -193.99787 985.08034
830.0000 -206.95842 -196.67813 10.28030 2.83695 -195.90577 922.27452
835.0000 -203.81635 -192.06653 11.74982 2.95985 -193.52980 1023.45272
840.0000 -204.28174 -193.19181 11.08993 2.98359 -193.07085 1019.12679
845.0000 -203.54263 -192.03021 11.51242 3.05478 -191.69466 1077.52849
850.0000 -206.14627 -193.73176 12.41452 2.97538 -193.22955 1039.46730
855.0000 -205.92306 -196.18699 9.73607 2.89153 -194.85060 976.15722
860.0000 -204.80415 -193.12957 11.67458 2.90163 -194.65534 980.61865
865.0000 -203.72548 -192.33154 11.39393 3.01705 -192.42412 1044.49117
870.0000 -204.29899 -191.78649 12.51250 3.05725 -191.64684 1069.45969
875.0000 -202.28598 -190.74088 11.54510 3.10803 -190.66514 1098.21268
880.0000 -204.34655 -192.75422 11.59234 3.03635 -192.05090 1045.05780
885.0000 -203.46398 -192.36516 11.09882 2.99823 -192.78790 1058.14008
890.0000 -203.65069 -192.65537 10.99532 3.02085 -192.35060 1035.43821
895.0000 -206.41386 -194.95167 11.46219 3.01160 -192.52938 1066.12616
900.0000 -205.12613 -195.06571 10.06042 2.87501 -195.16990 971.90093
905.0000 -203.77287 -191.60571 12.16716 2.92763 -194.15276 987.13661
910.0000 -200.33381 -187.86815 12.46565 3.15726 -189.71343 1119.94149
915.0000 -203.90021 -191.28691 12.61330 3.14653 -189.92101 1110.36487
920.0000 -202.94509 -190.94234 12.00275 3.01857 -192.39461 1021.10445
925.0000 -201.02169 -186.69478 14.32691 3.11925 -190.44823 1106.14395
930.0000 -203.34801 -191.02744 12.32057 3.18405 -189.19568 1148.44023
935.0000 -204.27371 -193.70574 10.56797 3.02108 -192.34610 1046.42725
940.0000 -203.95206 -193.41524 10.53682 2.98562 -193.03174 1029.26482
945.0000 -202.10613 -190.30168 11.80445 3.02454 -192.27918 1049.59314
950.0000 -204.95459 -193.36993 11.58467 3.04781 -191.82933 1081.70382
955.0000 -202.96951 -192.26088 10.70862 2.98130 -193.11512 1042.54694
960.0000 -204.91066 -194.58061 10.33005 3.01576 -192.44904 1043.52713
965.0000 -202.11455 -190.44997 11.66458 3.03958 -191.98848 1073.82688
970.0000 -203.61832 -190.78980 12.82852 3.13961 -190.05467 1132.40843
975.0000 -202.07256 -189.81384 12.25872 3.11427 -190.54465 1139.09467
980.0000 -202.62746 -191.75242 10.87504 3.09438 -190.92906 1116.10323
985.0000 -204.60699 -192.99720 11.60979 3.02772 -192.21769 1054.61659
990.0000 -204.23196 -194.32155 9.91042 2.94401 -193.83609 1020.48776
995.0000 -202.78436 -192.53518 10.24918 3.00053 -192.74341 1033.90172
1000.0000 -205.60681 -192.45328 13.15353 2.99208 -192.90677 1031.54507
FREEZING PROCESS: loop number 5 T-loop= 1055.0000000000000
main_MD> interactions number 5 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43970 2.77672 0.44281
force_rgl> df(natom) 1.17080 2.34401 1.85917
1005.0000 -201.65796 -188.50373 13.15422 3.20026 -188.88213 1179.79574
1010.0000 -203.73480 -192.40767 11.32714 3.07105 -191.38007 1091.61981
1015.0000 -202.34681 -190.29374 12.05308 3.04730 -191.83930 1049.64110
1020.0000 -204.20824 -192.81837 11.38987 3.08056 -191.19633 1093.04620
1025.0000 -202.76943 -190.80830 11.96112 3.04534 -191.87720 1081.18685
1030.0000 -202.01035 -191.03341 10.97694 3.08793 -191.05386 1093.18233
1035.0000 -203.29822 -190.86540 12.43282 3.05077 -191.77224 1078.83885
1040.0000 -203.33668 -192.36466 10.97203 3.01696 -192.42582 1069.35868
1045.0000 -204.37184 -191.58824 12.78361 3.01200 -192.52170 1075.71119
1050.0000 -203.22345 -192.38344 10.84001 3.03177 -192.13940 1045.89400
1055.0000 -205.51665 -194.92634 10.59032 2.94692 -193.77979 987.82434
1060.0000 -202.64836 -191.51341 11.13495 3.00388 -192.67870 1031.46011
1065.0000 -203.49956 -192.77257 10.72699 2.95592 -193.60576 1001.94203
1070.0000 -205.55608 -194.48864 11.06745 2.93331 -194.04292 997.63881
1075.0000 -205.42164 -194.14983 11.27181 2.93808 -193.95076 997.02778
1080.0000 -207.14956 -194.83502 12.31454 2.94774 -193.76403 1026.60146
1085.0000 -207.55225 -195.98082 11.57143 2.86778 -195.30972 973.11147
1090.0000 -205.23742 -194.19052 11.04690 2.86173 -195.42665 979.12263
1095.0000 -204.85873 -195.38927 9.46946 2.89474 -194.78863 976.54164
1100.0000 -204.72517 -193.10149 11.62368 2.95668 -193.59114 999.23540
1105.0000 -205.79203 -194.23949 11.55253 2.95607 -193.60289 1037.80914
1110.0000 -204.45422 -192.19462 12.25960 3.03290 -192.11765 1074.58200
1115.0000 -203.01982 -189.87943 13.14038 3.13424 -190.15856 1119.06318
1120.0000 -205.85351 -195.12915 10.72436 3.04746 -191.83615 1101.66240
1125.0000 -201.65443 -191.65829 9.99614 3.02210 -192.32643 1033.92050
1130.0000 -203.04027 -191.99331 11.04696 3.15671 -189.72412 1138.03272
1135.0000 -204.29226 -194.86192 9.43034 3.00313 -192.69312 1046.09411
1140.0000 -203.83505 -192.03787 11.79719 2.94456 -193.82542 1018.65114
1145.0000 -206.66319 -194.07403 12.58916 3.00525 -192.65213 1049.79136
1150.0000 -203.17437 -192.78871 10.38566 2.99968 -192.75979 1036.21577
1155.0000 -204.17669 -192.86682 11.30987 3.02906 -192.19191 1054.47680
1160.0000 -204.22311 -192.47828 11.74484 2.93629 -193.98536 996.67228
1165.0000 -203.78892 -192.30483 11.48409 3.01251 -192.51175 1054.43110
1170.0000 -203.72849 -191.37103 12.35746 3.04924 -191.80178 1072.59933
1175.0000 -202.02250 -190.80025 11.22226 3.13270 -190.18828 1132.12853
1180.0000 -204.82099 -192.00941 12.81158 3.00904 -192.57899 1031.13114
1185.0000 -203.11082 -191.68741 11.42342 3.04017 -191.97701 1063.60554
1190.0000 -203.37928 -191.35235 12.02692 3.09463 -190.92424 1111.89565
1195.0000 -205.06584 -193.41401 11.65183 3.00489 -192.65906 1041.63906
1200.0000 -204.51593 -194.76744 9.74849 2.89446 -194.79400 988.70822
1205.0000 -203.71433 -190.88500 12.82933 2.97680 -193.20214 1043.37919
1210.0000 -203.91856 -191.99164 11.92692 3.07904 -191.22564 1071.24160
1215.0000 -205.25588 -192.47351 12.78237 3.03048 -192.16447 1065.34797
1220.0000 -204.97671 -193.60094 11.37577 2.97528 -193.23156 1036.16157
1225.0000 -201.28620 -188.23324 13.05297 3.10749 -190.67572 1105.04989
1230.0000 -202.53390 -190.76966 11.76424 3.19768 -188.93213 1171.95519
1235.0000 -204.32710 -192.04580 12.28130 3.08084 -191.19095 1097.25455
1240.0000 -204.72615 -193.56929 11.15686 2.99081 -192.93134 1024.83923
1245.0000 -202.03845 -189.44269 12.59577 3.02194 -192.32946 1046.27856
1250.0000 -203.50345 -190.94589 12.55756 3.09392 -190.93804 1103.68143
FREEZING PROCESS: loop number 6 T-loop= 1030.0000000000000
main_MD> interactions number 6 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42609 -0.57227 -1.95707
force_rgl> df(natom) -0.22227 0.66354 1.38581
1255.0000 -201.90147 -191.44560 10.45586 3.07589 -191.28654 1071.66537
1260.0000 -204.80534 -192.24850 12.55685 2.99580 -192.83486 1038.22292
1265.0000 -204.42611 -192.19260 12.23351 3.05744 -191.64324 1090.72443
1270.0000 -205.10827 -193.38174 11.72653 3.04957 -191.79536 1066.46594
1275.0000 -202.77066 -189.85249 12.91817 3.09702 -190.87814 1093.10414
1280.0000 -205.10637 -192.26495 12.84142 3.10286 -190.76526 1118.35289
1285.0000 -204.45753 -193.47315 10.98438 3.01247 -192.51254 1068.49818
1290.0000 -204.44556 -192.21782 12.22774 2.93883 -193.93613 1003.92608
1295.0000 -203.60495 -191.18869 12.41626 3.03916 -191.99668 1065.03084
1300.0000 -203.88204 -192.08635 11.79569 3.08552 -191.10043 1095.39667
1305.0000 -203.12008 -190.30614 12.81394 3.00761 -192.60649 1026.39191
1310.0000 -203.11106 -190.51700 12.59406 3.12992 -190.24198 1137.21132
1315.0000 -204.70773 -193.12746 11.58027 3.04524 -191.87907 1046.19557
1320.0000 -203.61935 -193.61582 10.00354 3.02712 -192.22944 1030.24882
1325.0000 -206.26190 -194.95194 11.30996 2.91925 -194.31472 989.82433
1330.0000 -205.16135 -195.15322 10.00813 2.88839 -194.91131 982.09487
1335.0000 -205.26039 -191.85490 13.40549 2.94671 -193.78381 1011.53160
1340.0000 -204.21757 -193.85756 10.36001 3.00342 -192.68760 1048.23825
1345.0000 -204.98339 -193.46415 11.51924 2.96017 -193.52362 1016.23291
1350.0000 -203.59438 -194.15971 9.43468 2.94099 -193.89451 985.50383
1355.0000 -205.38336 -193.85996 11.52340 2.94931 -193.73356 1005.46476
1360.0000 -205.76616 -194.59643 11.16973 2.97045 -193.32489 1031.40304
1365.0000 -202.41934 -191.46182 10.95752 3.02826 -192.20726 1060.29171
1370.0000 -204.97490 -191.62779 13.34711 3.04839 -191.81827 1078.26780
1375.0000 -205.51586 -191.71589 13.79997 3.04842 -191.81760 1071.51877
1380.0000 -205.06265 -194.49480 10.56784 2.96067 -193.51404 1041.06467
1385.0000 -202.45513 -192.69052 9.76461 2.93732 -193.96534 1012.74617
1390.0000 -205.77063 -194.40355 11.36707 2.99015 -192.94414 1021.35010
1395.0000 -205.93202 -194.41378 11.51824 2.89247 -194.83252 964.17583
1400.0000 -205.29986 -192.57223 12.72763 3.00476 -192.66163 1044.65964
1405.0000 -205.45767 -192.90912 12.54854 3.02160 -192.33613 1080.32922
1410.0000 -203.00908 -192.22912 10.77996 3.02750 -192.22209 1038.38610
1415.0000 -205.89448 -194.88783 11.00665 3.01784 -192.40881 1039.34542
1420.0000 -206.01901 -194.96113 11.05788 2.84149 -195.81797 958.47789
1425.0000 -205.61428 -193.92174 11.69254 2.88880 -194.90349 983.20499
1430.0000 -207.58189 -196.09030 11.49159 2.90375 -194.61429 1005.95821
1435.0000 -206.10525 -195.68851 10.41674 2.86070 -195.44668 949.86772
1440.0000 -205.00823 -193.39311 11.61512 2.90246 -194.63923 983.17501
1445.0000 -202.98824 -192.38129 10.60695 2.98477 -193.04805 1027.40455
1450.0000 -205.01132 -191.81341 13.19790 3.08467 -191.11686 1092.41169
1455.0000 -204.79126 -194.13099 10.66027 2.93598 -193.99128 992.37126
1460.0000 -206.14390 -193.90021 12.24369 2.92031 -194.29417 990.49458
1465.0000 -205.54952 -194.69346 10.85606 2.89225 -194.83671 972.18312
1470.0000 -205.40651 -194.75014 10.65637 2.84313 -195.78621 935.65028
1475.0000 -205.08878 -195.49144 9.59733 2.89751 -194.73506 987.66024
1480.0000 -205.39285 -195.90170 9.49115 2.87138 -195.24024 948.62609
1485.0000 -205.02684 -194.58888 10.43796 2.93307 -194.04751 1012.99958
1490.0000 -203.82075 -193.20698 10.61377 2.95061 -193.70857 1013.58205
1495.0000 -205.02486 -192.36817 12.65669 2.98204 -193.10091 1022.63140
1500.0000 -205.75248 -194.78315 10.96933 2.99290 -192.89092 1050.72124
FREEZING PROCESS: loop number 7 T-loop= 1005.0000000000000
main_MD> interactions number 7 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38401 -0.20694 1.97090
force_rgl> df(natom) 3.39122 0.57670 1.82671
1505.0000 -204.23480 -194.21541 10.01939 2.93409 -194.02780 979.48009
1510.0000 -206.19105 -193.76156 12.42949 2.91946 -194.31062 979.47205
1515.0000 -205.16844 -195.08650 10.08194 2.95601 -193.60403 1030.74028
1520.0000 -202.08878 -190.22089 11.86789 3.00777 -192.60353 1013.14076
1525.0000 -202.18927 -191.78571 10.40356 3.06955 -191.40904 1077.19396
1530.0000 -203.17238 -191.04122 12.13116 3.04951 -191.79659 1059.61474
1535.0000 -203.27827 -191.93614 11.34213 2.98917 -192.96313 1029.13857
1540.0000 -202.68875 -189.40487 13.28387 3.12160 -190.40287 1112.63258
1545.0000 -203.62730 -192.45941 11.16789 3.06542 -191.48898 1085.64345
1550.0000 -207.18408 -193.65210 13.53198 3.03162 -192.14229 1046.39897
1555.0000 -204.15491 -192.41352 11.74139 2.96385 -193.45246 1010.09589
1560.0000 -207.02369 -195.28839 11.73530 2.94641 -193.78972 982.59058
1565.0000 -204.33177 -192.90889 11.42288 2.95784 -193.56866 1029.10096
1570.0000 -205.51813 -193.40177 12.11636 2.97977 -193.14480 1050.39572
1575.0000 -204.90560 -191.62273 13.28287 2.92245 -194.25286 1010.26804
1580.0000 -203.58294 -189.83462 13.74831 3.13367 -190.16959 1158.05187
1585.0000 -203.57521 -191.40585 12.16936 3.09369 -190.94248 1052.36186
1590.0000 -202.82930 -189.48954 13.33977 3.10428 -190.73766 1089.24847
1595.0000 -203.49221 -188.51419 14.97803 3.19583 -188.96780 1156.41186
1600.0000 -204.14725 -193.43307 10.71418 3.01675 -192.42995 1043.72829
1605.0000 -202.78350 -193.02759 9.75592 2.89575 -194.76906 970.14142
1610.0000 -202.72133 -190.94223 11.77910 3.03217 -192.13169 1033.25440
1615.0000 -205.08414 -193.23539 11.84874 3.00326 -192.69071 1013.23062
1620.0000 -204.55475 -194.88279 9.67197 2.91964 -194.30715 975.80411
1625.0000 -204.49235 -195.08997 9.40238 2.92372 -194.22835 990.42518
1630.0000 -204.68615 -193.13403 11.55212 2.85029 -195.64782 949.18622
1635.0000 -205.78205 -193.51967 12.26238 2.96228 -193.48294 1047.14369
1640.0000 -204.82274 -193.01521 11.80753 2.98259 -193.09023 1017.42314
1645.0000 -203.46110 -194.21088 9.25021 3.04947 -191.79736 1077.95937
1650.0000 -204.98571 -194.50313 10.48258 2.95858 -193.55449 1007.63572
1655.0000 -206.43813 -196.49626 9.94187 2.89442 -194.79472 965.00631
1660.0000 -203.81607 -193.67824 10.13783 2.90046 -194.67792 963.73304
1665.0000 -206.45937 -195.32879 11.13058 2.87275 -195.21366 987.48991
1670.0000 -205.88937 -195.30989 10.57948 2.88237 -195.02770 1000.82050
1675.0000 -204.69674 -192.17551 12.52123 2.95128 -193.69558 1005.67150
1680.0000 -201.68699 -190.81055 10.87643 3.03302 -192.11522 1060.75453
1685.0000 -203.29608 -192.41948 10.87660 3.00884 -192.58283 1021.25110
1690.0000 -206.62998 -195.46972 11.16026 2.91163 -194.46207 986.21940
1695.0000 -206.09814 -194.88617 11.21197 2.85890 -195.48134 970.76643
1700.0000 -206.72376 -195.78332 10.94045 2.89835 -194.71872 985.45120
1705.0000 -204.90056 -192.91141 11.98914 2.94476 -193.82153 1007.91327
1710.0000 -205.51721 -195.28852 10.22869 2.93606 -193.98982 1028.46255
1715.0000 -205.79046 -194.62519 11.16528 2.88311 -195.01343 972.38170
1720.0000 -205.20831 -193.06886 12.13945 2.94069 -193.90027 999.60445
1725.0000 -204.17946 -191.93683 12.24263 3.02368 -192.29584 1049.45665
1730.0000 -205.04475 -194.74030 10.30445 2.97138 -193.30699 1050.52208
1735.0000 -204.87892 -194.52410 10.35482 2.87977 -195.07804 950.49134
1740.0000 -203.74167 -194.50537 9.23629 2.95959 -193.53491 1006.88732
1745.0000 -204.27481 -193.78731 10.48750 2.93407 -194.02816 949.29128
1750.0000 -203.85310 -192.59519 11.25791 2.99019 -192.94340 1024.52675
FREEZING PROCESS: loop number 8 T-loop= 980.00000000000000
main_MD> interactions number 8 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17641 2.79343 -3.04830
force_rgl> df(natom) -2.37100 0.31937 -0.09450
1755.0000 -205.35844 -193.96505 11.39339 3.03412 -192.09415 1073.01067
1760.0000 -206.40696 -195.21079 11.19617 2.89245 -194.83288 967.82274
1765.0000 -206.32277 -194.92550 11.39726 2.87053 -195.25668 957.74714
1770.0000 -206.20123 -195.27321 10.92802 2.84074 -195.83258 957.95049
1775.0000 -204.13995 -194.07796 10.06200 2.91091 -194.47592 985.30720
1780.0000 -205.79034 -194.65326 11.13708 2.93717 -193.96826 992.74579
1785.0000 -206.88930 -195.28715 11.60215 2.88096 -195.05494 964.83891
1790.0000 -205.14468 -192.48814 12.65654 2.94206 -193.87373 1014.25234
1795.0000 -203.73880 -193.10996 10.62884 2.96672 -193.39708 1033.55610
1800.0000 -204.28437 -194.55259 9.73178 2.91925 -194.31464 987.37517
1805.0000 -204.69644 -195.27798 9.41846 2.92490 -194.20553 1000.69614
1810.0000 -207.14914 -197.33683 9.81232 2.80845 -196.45672 907.60960
1815.0000 -206.19070 -195.58823 10.60248 2.79722 -196.67383 917.18499
1820.0000 -207.00259 -197.07266 9.92993 2.79981 -196.62373 920.03685
1825.0000 -207.56261 -196.75982 10.80279 2.80290 -196.56403 933.98815
1830.0000 -207.68490 -196.99135 10.69355 2.80891 -196.44786 926.46555
1835.0000 -204.30997 -194.52134 9.78863 2.79403 -196.73558 936.16295
1840.0000 -206.45735 -197.54298 8.91436 2.80717 -196.48152 922.26610
1845.0000 -204.17932 -193.93211 10.24721 2.86867 -195.29253 963.40385
1850.0000 -204.94986 -193.37706 11.57280 2.97266 -193.28211 1020.40402
1855.0000 -204.57895 -193.89200 10.68695 2.94149 -193.88485 990.01357
1860.0000 -202.93234 -194.58238 8.34996 2.91541 -194.38904 981.62819
1865.0000 -205.75053 -194.73931 11.01122 2.90393 -194.61082 989.22378
1870.0000 -204.10636 -193.00195 11.10441 2.94853 -193.74861 1010.27693
1875.0000 -206.16275 -193.91037 12.25238 3.01283 -192.50556 1059.65325
1880.0000 -204.48330 -194.40850 10.07479 2.90761 -194.53975 969.82459
1885.0000 -206.67427 -198.37013 8.30414 2.76762 -197.24599 887.43999
1890.0000 -205.93650 -196.96636 8.97014 2.73810 -197.81673 867.72554
1895.0000 -206.31732 -196.24982 10.06750 2.77888 -197.02846 891.43518
1900.0000 -206.57043 -197.10616 9.46427 2.82027 -196.22828 916.07564
1905.0000 -204.31769 -192.46137 11.85632 2.86475 -195.36840 955.81640
1910.0000 -204.08395 -192.43927 11.64468 2.97175 -193.29986 1004.07076
1915.0000 -205.98695 -194.51163 11.47532 2.95276 -193.66696 998.16562
1920.0000 -204.83489 -194.62077 10.21412 2.89405 -194.80191 998.26981
1925.0000 -206.26746 -195.50180 10.76566 2.86399 -195.38297 966.33604
1930.0000 -206.59939 -195.94671 10.65269 2.87842 -195.10414 964.02795
1935.0000 -207.45521 -197.01404 10.44116 2.76532 -197.29058 892.56478
1940.0000 -205.80236 -194.08671 11.71564 2.80373 -196.54803 926.99619
1945.0000 -204.42814 -192.54615 11.88199 2.99666 -192.81819 1033.39525
1950.0000 -205.38880 -194.75730 10.63150 2.97610 -193.21577 1065.58286
1955.0000 -205.08546 -195.51000 9.57547 2.84642 -195.72274 958.36401
1960.0000 -205.34922 -196.00382 9.34541 2.90084 -194.67071 980.85683
1965.0000 -205.45967 -194.76355 10.69612 2.82752 -196.08812 909.00489
1970.0000 -207.00712 -196.39862 10.60850 2.87050 -195.25722 980.54286
1975.0000 -206.56728 -195.31063 11.25665 2.85011 -195.65128 957.54172
1980.0000 -207.63644 -197.77325 9.86319 2.80388 -196.54503 940.14352
1985.0000 -207.33636 -196.60686 10.72950 2.74515 -197.68047 912.04702
1990.0000 -208.93646 -199.39382 9.54265 2.75846 -197.42309 898.36922
1995.0000 -206.95993 -195.94459 11.01534 2.74318 -197.71849 890.19948
2000.0000 -203.07482 -193.65707 9.41775 2.91747 -194.34906 979.34848
FREEZING PROCESS: loop number 9 T-loop= 955.00000000000000
main_MD> interactions number 9 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38498 6.29066 -1.30233
force_rgl> df(natom) -0.64618 0.97946 0.16876
2005.0000 -206.72669 -196.09443 10.63227 2.92274 -194.24720 1012.05111
2010.0000 -207.40913 -196.30443 11.10470 2.84351 -195.77889 961.65409
2015.0000 -205.52098 -194.82345 10.69754 2.83253 -195.99112 939.77771
2020.0000 -204.02775 -193.13188 10.89588 2.94826 -193.75393 1012.08239
2025.0000 -203.80344 -192.74252 11.06092 2.98439 -193.05548 1040.16679
2030.0000 -206.71209 -195.84354 10.86855 2.87800 -195.11223 970.12357
2035.0000 -205.78316 -195.40014 10.38301 2.82923 -196.05510 964.55557
2040.0000 -206.49810 -195.27590 11.22220 2.84251 -195.79821 927.26357
2045.0000 -205.05155 -194.76315 10.28840 2.90155 -194.65698 977.43418
2050.0000 -205.83554 -195.21050 10.62503 2.91382 -194.41974 981.05625
2055.0000 -207.98796 -195.87905 12.10891 2.82290 -196.17742 917.11492
2060.0000 -205.22939 -195.17931 10.05008 2.81504 -196.32942 932.23698
2065.0000 -205.69750 -195.19341 10.50409 2.86878 -195.29040 961.71353
2070.0000 -206.66476 -197.01843 9.64634 2.80733 -196.47841 912.89330
2075.0000 -207.42705 -195.20656 12.22048 2.87832 -195.10599 942.45777
2080.0000 -206.38864 -196.72118 9.66747 2.80543 -196.51504 921.39335
2085.0000 -208.15649 -197.38930 10.76719 2.77710 -197.06277 907.00283
2090.0000 -205.70177 -195.67687 10.02490 2.79557 -196.70581 903.15208
2095.0000 -205.65286 -194.88201 10.77085 2.92330 -194.23642 954.73423
2100.0000 -205.47735 -195.58886 9.88849 2.86133 -195.43436 955.57573
2105.0000 -206.07318 -194.58259 11.49059 2.92923 -194.12189 980.53300
2110.0000 -203.44542 -193.05350 10.39193 2.92782 -194.14911 979.75701
2115.0000 -203.60422 -191.23933 12.36489 2.99528 -192.84483 1037.67712
2120.0000 -203.82575 -193.48976 10.33598 3.02173 -192.33363 1072.83202
2125.0000 -206.16037 -194.76039 11.39998 2.94166 -193.88151 1008.55890
2130.0000 -205.96518 -194.90966 11.05553 2.86070 -195.44666 957.67056
2135.0000 -205.07235 -194.39241 10.67994 2.92567 -194.19064 992.31737
2140.0000 -205.74656 -196.04903 9.69754 2.84321 -195.78476 977.66985
2145.0000 -207.84292 -196.48797 11.35495 2.81195 -196.38910 918.10330
2150.0000 -204.72340 -193.44960 11.27380 2.90887 -194.51535 1005.51794
2155.0000 -205.55748 -194.06077 11.49670 2.91688 -194.36061 1008.08417
2160.0000 -206.18040 -194.78595 11.39446 2.90283 -194.63215 987.85671
2165.0000 -207.87845 -197.21022 10.66823 2.80978 -196.43111 918.57462
2170.0000 -205.49324 -193.97865 11.51459 2.80444 -196.53422 932.35010
2175.0000 -206.81378 -195.97846 10.83532 2.87703 -195.13087 991.46703
2180.0000 -205.43228 -194.77575 10.65654 2.87686 -195.13426 962.09344
2185.0000 -205.18881 -195.39585 9.79296 2.88423 -194.99181 974.65634
2190.0000 -205.66639 -195.92694 9.73946 2.84860 -195.68047 925.25361
2195.0000 -206.20258 -197.93423 8.26836 2.81636 -196.30386 910.58921
2200.0000 -205.66177 -197.44677 8.21500 2.74194 -197.74260 851.09925
2205.0000 -207.34808 -197.46943 9.87865 2.75018 -197.58323 893.01528
2210.0000 -206.08755 -195.45083 10.63672 2.82456 -196.14533 925.45411
2215.0000 -205.41548 -195.73894 9.67654 2.87215 -195.22521 920.80086
2220.0000 -205.25578 -196.34590 8.90988 2.83093 -196.02212 938.77632
2225.0000 -206.24061 -195.44864 10.79197 2.84281 -195.79252 911.72507
2230.0000 -204.99738 -195.08355 9.91383 2.90948 -194.50362 974.69709
2235.0000 -204.70545 -192.84677 11.85868 2.92716 -194.16187 974.92745
2240.0000 -204.54707 -192.78494 11.76213 2.96574 -193.41596 1005.27393
2245.0000 -204.80090 -193.04707 11.75383 2.94587 -193.80010 997.42002
2250.0000 -205.28872 -193.45212 11.83660 3.02144 -192.33909 1066.86553
FREEZING PROCESS: loop number 10 T-loop= 930.00000000000000
main_MD> interactions number 10 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78652 -2.31861 3.44250
force_rgl> df(natom) 8.77235 -1.55527 3.13648
2255.0000 -204.37353 -194.73654 9.63699 2.90412 -194.60720 955.19786
2260.0000 -205.63866 -194.69583 10.94283 2.84459 -195.75813 943.91402
2265.0000 -206.22750 -194.37849 11.84901 2.93131 -194.08150 1001.58197
2270.0000 -206.23966 -196.47775 9.76191 2.84386 -195.77220 947.07121
2275.0000 -206.69928 -197.74406 8.95522 2.78876 -196.83729 929.31886
2280.0000 -206.06415 -195.73581 10.32834 2.80949 -196.43672 920.43039
2285.0000 -208.26214 -198.09821 10.16393 2.75907 -197.41127 872.09810
2290.0000 -206.86545 -198.34405 8.52140 2.70213 -198.51210 855.20975
2295.0000 -205.52346 -195.56718 9.95627 2.79990 -196.62212 924.20679
2300.0000 -203.14182 -192.09696 11.04486 2.99898 -192.77345 1035.53120
2305.0000 -205.14082 -194.38607 10.75474 2.93446 -194.02067 975.66986
2310.0000 -203.04938 -192.69533 10.35404 2.94969 -193.72624 1020.83706
2315.0000 -204.85786 -195.84792 9.00994 2.87818 -195.10864 987.32519
2320.0000 -207.48086 -197.08803 10.39284 2.82065 -196.22087 924.99296
2325.0000 -206.82914 -196.98117 9.84797 2.80825 -196.46063 929.23818
2330.0000 -206.83907 -195.77955 11.05952 2.88416 -194.99312 988.56944
2335.0000 -204.40052 -194.51203 9.88848 2.87681 -195.13518 976.51222
2340.0000 -205.62232 -195.45347 10.16885 2.89486 -194.78633 990.42789
2345.0000 -205.25698 -194.92219 10.33479 2.87146 -195.23869 960.72765
2350.0000 -206.78661 -198.32204 8.46457 2.79831 -196.65277 927.48877
2355.0000 -207.36617 -196.69318 10.67299 2.75243 -197.53974 889.51186
2360.0000 -206.02456 -194.99403 11.03053 2.87261 -195.21639 978.55043
2365.0000 -207.99865 -198.69872 9.29993 2.79138 -196.78678 906.39891
2370.0000 -207.43992 -198.03815 9.40177 2.72436 -198.08239 872.48633
2375.0000 -207.20576 -198.18566 9.02010 2.72502 -198.06954 880.86245
2380.0000 -208.05180 -198.91812 9.13368 2.69234 -198.70132 833.18957
2385.0000 -208.74925 -198.07243 10.67682 2.71985 -198.16954 860.74081
2390.0000 -209.29856 -198.93861 10.35996 2.67537 -199.02937 840.48880
2395.0000 -206.62628 -199.07728 7.54899 2.68275 -198.88685 860.59801
2400.0000 -207.95839 -197.74650 10.21190 2.73479 -197.88082 877.55629
2405.0000 -206.69499 -197.71510 8.97989 2.74886 -197.60870 893.55422
2410.0000 -208.22015 -198.78711 9.43304 2.70734 -198.41139 862.35979
2415.0000 -207.39988 -197.08325 10.31663 2.75670 -197.45708 897.07697
2420.0000 -207.04422 -195.27451 11.76971 2.84815 -195.68932 933.79189
2425.0000 -205.43698 -195.14493 10.29205 2.88207 -195.03354 974.05515
2430.0000 -205.81394 -196.11340 9.70054 2.86230 -195.41565 964.44185
2435.0000 -204.88697 -193.02851 11.85846 2.85267 -195.60190 973.35366
2440.0000 -206.07356 -195.15311 10.92045 2.95024 -193.71570 1011.01791
2445.0000 -207.28327 -196.55165 10.73162 2.88147 -195.04505 976.58669
2450.0000 -208.42016 -198.00087 10.41929 2.75876 -197.41729 917.85380
2455.0000 -207.61196 -197.71239 9.89957 2.73100 -197.95393 852.94080
2460.0000 -207.28264 -196.09634 11.18629 2.74802 -197.62491 890.79916
2465.0000 -206.59731 -196.46383 10.13348 2.87309 -195.20716 951.94080
2470.0000 -206.30146 -196.19436 10.10710 2.81382 -196.35298 919.31555
2475.0000 -205.39874 -194.70302 10.69571 2.84952 -195.66282 933.04781
2480.0000 -207.27412 -197.13748 10.13664 2.86761 -195.31306 934.51703
2485.0000 -205.85044 -195.51158 10.33886 2.79801 -196.65856 894.19995
2490.0000 -206.43352 -194.90950 11.52402 2.84643 -195.72244 959.77612
2495.0000 -207.29515 -196.54139 10.75375 2.81006 -196.42562 902.02530
2500.0000 -206.41879 -196.85677 9.56202 2.79675 -196.68294 901.75223
FREEZING PROCESS: loop number 11 T-loop= 905.00000000000000
main_MD> interactions number 11 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09811 -2.61138 1.83655
force_rgl> df(natom) -6.55201 -0.78365 3.18168
2505.0000 -207.34449 -196.80723 10.53726 2.81468 -196.33631 935.53921
2510.0000 -206.96418 -196.65923 10.30495 2.77086 -197.18339 897.42437
2515.0000 -206.25649 -195.34446 10.91203 2.87693 -195.13286 958.85127
2520.0000 -206.38364 -197.16896 9.21469 2.82659 -196.10604 951.61330
2525.0000 -205.46702 -196.35498 9.11204 2.83379 -195.96689 947.78571
2530.0000 -207.39012 -195.98958 11.40053 2.80720 -196.48094 915.54082
2535.0000 -206.52571 -196.76133 9.76438 2.76130 -197.36822 866.29266
2540.0000 -208.76101 -198.50564 10.25537 2.75417 -197.50617 891.04427
2545.0000 -206.54761 -197.70913 8.83848 2.72622 -198.04633 875.24230
2550.0000 -209.04484 -200.59494 8.44990 2.63354 -199.83805 822.14050
2555.0000 -207.70474 -197.88108 9.82366 2.66480 -199.23377 813.27637
2560.0000 -209.09724 -199.32230 9.77494 2.69702 -198.61085 868.43064
2565.0000 -207.93561 -198.29267 9.64294 2.69385 -198.67218 862.81149
2570.0000 -207.53924 -198.62339 8.91585 2.72795 -198.01299 882.45854
2575.0000 -207.72739 -196.73936 10.98803 2.68256 -198.89042 849.57447
2580.0000 -206.56271 -196.41570 10.14702 2.78065 -196.99416 904.52098
2585.0000 -206.35356 -196.50463 9.84893 2.75652 -197.46065 870.73697
2590.0000 -207.01889 -197.14079 9.87810 2.78549 -196.90068 914.79144
2595.0000 -204.94308 -195.28837 9.65471 2.84245 -195.79951 939.97558
2600.0000 -206.65035 -196.17641 10.47394 2.82009 -196.23178 921.03092
2605.0000 -206.56641 -195.96605 10.60036 2.87969 -195.07953 973.55378
2610.0000 -208.05649 -198.46834 9.58815 2.79124 -196.78936 923.45793
2615.0000 -207.33526 -197.54227 9.79298 2.67829 -198.97305 852.10818
2620.0000 -207.18098 -196.21990 10.96108 2.77168 -197.16767 911.65571
2625.0000 -207.39975 -199.11369 8.28606 2.75974 -197.39843 896.10627
2630.0000 -208.94760 -199.43568 9.51192 2.71978 -198.17098 878.72951
2635.0000 -210.43508 -199.01978 11.41530 2.67394 -199.05704 840.71131
2640.0000 -206.85442 -196.47933 10.37509 2.68159 -198.90912 852.81663
2645.0000 -205.72486 -195.88943 9.83543 2.80102 -196.60041 914.95285
2650.0000 -205.18492 -195.18976 9.99516 2.93339 -194.04146 1009.57163
2655.0000 -205.28872 -194.42585 10.86287 2.93762 -193.95968 992.60453
2660.0000 -204.16721 -193.55230 10.61491 2.94283 -193.85898 997.91868
2665.0000 -205.71514 -196.72588 8.98926 2.88781 -194.92257 978.68563
2670.0000 -207.47488 -198.40085 9.07403 2.77934 -197.01947 915.82187
2675.0000 -205.88843 -195.61301 10.27542 2.77729 -197.05908 908.34461
2680.0000 -207.36738 -197.10918 10.25819 2.79898 -196.63975 914.25660
2685.0000 -207.10841 -197.94721 9.16120 2.77300 -197.14205 905.08310
2690.0000 -209.09991 -198.61831 10.48161 2.70989 -198.36203 863.36934
2695.0000 -205.67321 -194.91784 10.75537 2.81039 -196.41930 936.37072
2700.0000 -205.29198 -195.09081 10.20117 2.91763 -194.34606 995.01930
2705.0000 -204.49194 -195.20869 9.28325 2.90432 -194.60337 970.14516
2710.0000 -205.25558 -196.32265 8.93293 2.82673 -196.10325 922.87818
2715.0000 -206.89887 -196.70531 10.19356 2.79383 -196.73930 919.83581
2720.0000 -206.73410 -196.87903 9.85507 2.76663 -197.26530 888.19685
2725.0000 -206.66178 -196.45050 10.21129 2.82039 -196.22583 944.28013
2730.0000 -205.76984 -193.78426 11.98558 2.90836 -194.52535 1000.56005
2735.0000 -205.47757 -193.51364 11.96393 2.97382 -193.25980 999.81602
2740.0000 -206.57597 -195.85813 10.71784 2.91528 -194.39143 1000.07104
2745.0000 -209.06634 -197.93758 11.12877 2.72737 -198.02410 864.38056
2750.0000 -206.84332 -197.85551 8.98781 2.71867 -198.19239 880.24046
FREEZING PROCESS: loop number 12 T-loop= 880.00000000000000
main_MD> interactions number 12 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.35747 4.32167 1.05076
force_rgl> df(natom) -1.16503 -2.96193 0.28512
2755.0000 -209.00226 -198.98968 10.01258 2.70153 -198.52366 843.01099
2760.0000 -209.03838 -199.56224 9.47613 2.72603 -198.05009 881.62633
2765.0000 -207.22822 -197.39953 9.82869 2.70817 -198.39542 842.20608
2770.0000 -209.45793 -199.85983 9.59810 2.71189 -198.32334 865.06341
2775.0000 -208.53742 -198.09902 10.43839 2.64888 -199.54165 837.59466
2780.0000 -206.60872 -196.18729 10.42144 2.74608 -197.66253 883.43314
2785.0000 -206.41574 -195.91318 10.50256 2.82501 -196.13656 942.72036
2790.0000 -206.33171 -197.32484 9.00687 2.83255 -195.99079 932.28800
2795.0000 -206.91168 -197.79534 9.11634 2.79477 -196.72113 903.74956
2800.0000 -207.08333 -196.85005 10.23328 2.75615 -197.46787 904.14019
2805.0000 -207.54647 -198.32087 9.22560 2.75637 -197.46349 875.44720
2810.0000 -209.28168 -200.50668 8.77499 2.66100 -199.30725 839.93819
2815.0000 -206.84775 -198.03622 8.81153 2.69691 -198.61302 856.29313
2820.0000 -207.15488 -195.95082 11.20406 2.79284 -196.75847 934.53011
2825.0000 -208.22343 -198.29039 9.93304 2.79483 -196.72006 916.04008
2830.0000 -208.17752 -198.02088 10.15665 2.76530 -197.29087 920.56196
2835.0000 -204.83563 -195.34832 9.48731 2.74878 -197.61036 894.62878
2840.0000 -205.55310 -195.63179 9.92130 2.86533 -195.35707 926.70337
2845.0000 -206.67891 -195.91053 10.76838 2.84767 -195.69844 953.77790
2850.0000 -207.57240 -197.56765 10.00475 2.77924 -197.02133 910.30658
2855.0000 -207.61298 -196.65312 10.95985 2.79214 -196.77210 900.82525
2860.0000 -208.63938 -199.63188 9.00750 2.68923 -198.76142 840.38261
2865.0000 -207.13209 -198.86883 8.26325 2.66983 -199.13649 842.38946
2870.0000 -206.97364 -197.57781 9.39583 2.73235 -197.92784 860.84139
2875.0000 -204.56755 -196.13394 8.43361 2.78519 -196.90649 887.38960
2880.0000 -205.03641 -194.87685 10.15956 2.81306 -196.36763 891.69880
2885.0000 -204.93065 -193.40931 11.52134 2.90829 -194.52667 953.91367
2890.0000 -206.30090 -193.70719 12.59371 2.89498 -194.78385 967.27906
2895.0000 -206.47585 -196.94012 9.53573 2.85064 -195.64113 961.03007
2900.0000 -207.54114 -197.85090 9.69024 2.78831 -196.84601 907.62522
2905.0000 -207.28699 -198.52210 8.76489 2.72957 -197.98172 892.46147
2910.0000 -208.92059 -198.88562 10.03496 2.67449 -199.04643 830.78059
2915.0000 -205.39692 -195.31435 10.08257 2.75962 -197.40067 865.40879
2920.0000 -208.32441 -196.77702 11.54739 2.83830 -195.87975 934.65695
2925.0000 -206.92704 -197.91901 9.00803 2.78086 -196.99005 926.73603
2930.0000 -208.33012 -199.17785 9.15227 2.69649 -198.62112 857.25407
2935.0000 -209.56963 -199.53421 10.03542 2.62527 -199.99807 812.79417
2940.0000 -209.56699 -200.53061 9.03638 2.66115 -199.30428 828.84412
2945.0000 -207.98363 -197.15511 10.82852 2.70598 -198.43772 865.79421
2950.0000 -206.22709 -197.64861 8.57848 2.80250 -196.57179 914.86206
2955.0000 -208.14194 -198.96887 9.17307 2.71065 -198.34736 841.44260
2960.0000 -205.95660 -196.07580 9.88079 2.72932 -197.98647 865.32847
2965.0000 -207.64575 -197.67715 9.96860 2.78229 -196.96244 923.10318
2970.0000 -206.80896 -196.60885 10.20011 2.77145 -197.17196 893.95872
2975.0000 -205.58150 -196.66052 8.92097 2.79566 -196.70389 930.37424
2980.0000 -205.48598 -197.06041 8.42556 2.79546 -196.70791 901.23409
2985.0000 -206.37393 -196.75849 9.61545 2.78893 -196.83402 903.24635
2990.0000 -209.72866 -200.18575 9.54291 2.73927 -197.79408 887.33225
2995.0000 -207.97814 -199.32608 8.65207 2.62122 -200.07630 811.69119
3000.0000 -208.85123 -199.54401 9.30723 2.66702 -199.19081 843.39392
FREEZING PROCESS: loop number 13 T-loop= 855.00000000000000
main_MD> interactions number 13 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.54216 -1.47032 -3.76146
force_rgl> df(natom) 1.51577 3.66082 -3.57085
3005.0000 -208.33069 -199.44944 8.88125 2.61969 -200.10590 794.45308
3010.0000 -208.47851 -197.75987 10.71864 2.70787 -198.40108 881.78130
3015.0000 -206.22509 -197.43826 8.78683 2.74588 -197.66639 920.98935
3020.0000 -208.18894 -199.56093 8.62801 2.68095 -198.92161 846.14439
3025.0000 -207.97244 -198.49880 9.47364 2.62448 -200.01321 827.52095
3030.0000 -207.90638 -199.10482 8.80156 2.67344 -199.06673 839.49579
3035.0000 -208.71778 -201.14958 7.56820 2.68939 -198.75847 827.83716
3040.0000 -208.11084 -198.64567 9.46517 2.63772 -199.75736 801.57936
3045.0000 -208.58188 -199.65584 8.92604 2.64356 -199.64431 834.73624
3050.0000 -208.42951 -199.30193 9.12758 2.63536 -199.80301 795.55254
3055.0000 -208.42449 -199.12258 9.30192 2.66370 -199.25498 838.15679
3060.0000 -206.32582 -197.76057 8.56524 2.73701 -197.83779 858.50803
3065.0000 -206.40014 -195.77015 10.62999 2.79571 -196.70295 902.37367
3070.0000 -206.62377 -197.58693 9.03685 2.80682 -196.48824 930.62572
3075.0000 -207.53549 -198.69760 8.83789 2.75852 -197.42206 900.11646
3080.0000 -207.64769 -197.56309 10.08459 2.72609 -198.04895 851.33867
3085.0000 -206.59183 -197.69384 8.89799 2.74911 -197.60388 881.73273
3090.0000 -206.92448 -199.06170 7.86278 2.71473 -198.26851 862.93651
3095.0000 -207.76489 -197.75024 10.01464 2.70018 -198.54987 844.57798
3100.0000 -208.17509 -198.59079 9.58430 2.70097 -198.53450 864.42006
3105.0000 -208.04670 -199.33785 8.70885 2.66243 -199.27953 826.81066
3110.0000 -208.61343 -198.88654 9.72689 2.61286 -200.23788 801.91078
3115.0000 -208.13111 -198.38220 9.74891 2.73129 -197.94846 874.79166
3120.0000 -206.41219 -196.98389 9.42830 2.75137 -197.56028 882.78324
3125.0000 -205.88966 -196.04282 9.84684 2.79840 -196.65094 898.34236
3130.0000 -207.48806 -197.15361 10.33445 2.73432 -197.88973 874.94958
3135.0000 -205.92362 -197.04208 8.88155 2.78254 -196.95754 900.69978
3140.0000 -207.49787 -196.45744 11.04043 2.78660 -196.87923 930.16369
3145.0000 -206.86758 -196.97382 9.89377 2.75183 -197.55124 901.06820
3150.0000 -205.39710 -195.76436 9.63274 2.77978 -197.01107 918.07580
3155.0000 -207.80914 -198.84867 8.96048 2.73611 -197.85518 883.88332
3160.0000 -210.01238 -199.51839 10.49399 2.65522 -199.41893 825.40061
3165.0000 -207.34303 -198.82437 8.51866 2.67908 -198.95769 851.42315
3170.0000 -208.15082 -198.04195 10.10887 2.70624 -198.43257 855.72409
3175.0000 -209.49298 -201.23128 8.26170 2.69827 -198.58676 829.78594
3180.0000 -208.38981 -200.45973 7.93009 2.56376 -201.18705 737.82048
3185.0000 -208.19422 -199.65905 8.53517 2.60813 -200.32933 807.24585
3190.0000 -209.44475 -201.99087 7.45389 2.58773 -200.72378 786.64108
3195.0000 -208.70262 -200.04160 8.66101 2.56683 -201.12779 766.81323
3200.0000 -207.41291 -197.28355 10.12936 2.70433 -198.46957 825.37571
3205.0000 -207.29304 -197.55946 9.73358 2.75492 -197.49161 880.02687
3210.0000 -206.55422 -197.50509 9.04913 2.75761 -197.43967 909.30987
3215.0000 -207.86471 -198.53213 9.33258 2.69035 -198.73979 832.59053
3220.0000 -207.82392 -197.51820 10.30571 2.72948 -197.98342 876.79801
3225.0000 -207.76273 -197.94730 9.81543 2.73719 -197.83430 890.38025
3230.0000 -208.76214 -198.69048 10.07166 2.68395 -198.86365 873.55764
3235.0000 -206.92777 -197.50788 9.41989 2.72225 -198.12316 872.14533
3240.0000 -208.79409 -199.63645 9.15765 2.63941 -199.72460 831.02718
3245.0000 -207.87011 -199.68486 8.18525 2.65034 -199.51326 812.40173
3250.0000 -208.86877 -199.67074 9.19803 2.66695 -199.19229 835.14168
FREEZING PROCESS: loop number 14 T-loop= 830.00000000000000
main_MD> interactions number 14 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.14439 0.38785 2.47442
force_rgl> df(natom) 1.73760 -2.34220 -1.32431
3255.0000 -210.43588 -201.66318 8.77271 2.55241 -201.40650 774.55762
3260.0000 -208.50628 -200.31341 8.19287 2.58075 -200.85857 797.43785
3265.0000 -208.39623 -197.97528 10.42095 2.67568 -199.02344 810.37073
3270.0000 -207.88415 -199.82789 8.05626 2.66176 -199.29256 840.16868
3275.0000 -207.04625 -198.25170 8.79455 2.65542 -199.41521 834.22094
3280.0000 -210.58063 -201.82775 8.75287 2.65717 -199.38137 816.69228
3285.0000 -210.37187 -201.74694 8.62493 2.55941 -201.27111 790.44887
3290.0000 -207.96819 -199.61830 8.34989 2.64111 -199.69175 807.90963
3295.0000 -209.42453 -199.25472 10.16981 2.67141 -199.10598 829.00900
3300.0000 -210.11493 -199.95102 10.16391 2.67036 -199.12636 831.26824
3305.0000 -209.77252 -200.89798 8.87454 2.63017 -199.90333 790.37374
3310.0000 -209.86418 -201.87190 7.99228 2.61756 -200.14697 794.08336
3315.0000 -208.02084 -199.39327 8.62758 2.58675 -200.74259 780.05419
3320.0000 -207.88489 -199.17098 8.71391 2.63984 -199.71631 810.53544
3325.0000 -208.42815 -199.31049 9.11766 2.66973 -199.13852 846.30860
3330.0000 -208.74501 -198.84044 9.90457 2.65326 -199.45684 806.99526
3335.0000 -208.56123 -199.43802 9.12321 2.65121 -199.49655 850.16558
3340.0000 -207.86005 -198.49081 9.36925 2.69493 -198.65130 861.77939
3345.0000 -209.89911 -199.81852 10.08059 2.63535 -199.80317 815.30301
3350.0000 -209.42125 -200.19179 9.22946 2.66258 -199.27665 822.77415
3355.0000 -209.25667 -199.71452 9.54215 2.62014 -200.09714 787.06615
3360.0000 -208.21624 -199.22552 8.99072 2.70672 -198.42331 863.48206
3365.0000 -207.23397 -198.20137 9.03259 2.73460 -197.88441 868.80512
3370.0000 -208.89138 -198.20758 10.68380 2.72561 -198.05813 880.19836
3375.0000 -208.28264 -198.30797 9.97467 2.71057 -198.34902 869.57598
3380.0000 -207.01002 -197.08054 9.92948 2.68540 -198.83551 857.10159
3385.0000 -208.33276 -199.20033 9.13243 2.73243 -197.92627 875.01414
3390.0000 -207.05159 -196.30584 10.74575 2.76657 -197.26628 916.93715
3395.0000 -208.08546 -198.92436 9.16110 2.70328 -198.48983 871.72068
3400.0000 -205.92710 -195.88421 10.04289 2.75332 -197.52254 879.30552
3405.0000 -206.26206 -195.64886 10.61320 2.85900 -195.47943 958.58843
3410.0000 -208.46764 -197.49524 10.97240 2.76225 -197.34981 886.67744
3415.0000 -209.61938 -200.90376 8.71561 2.67640 -199.00951 860.50094
3420.0000 -209.00269 -199.48218 9.52051 2.62768 -199.95132 809.90757
3425.0000 -208.28491 -197.96299 10.32192 2.70118 -198.53041 856.20019
3430.0000 -207.81416 -198.63957 9.17459 2.74632 -197.65790 881.05711
3435.0000 -209.19847 -201.68977 7.50871 2.63216 -199.86484 802.88450
3440.0000 -209.70940 -200.26199 9.44741 2.59387 -200.60502 783.55740
3445.0000 -209.80453 -200.95176 8.85278 2.59958 -200.49469 785.70389
3450.0000 -207.20857 -198.02421 9.18436 2.66866 -199.15918 846.25513
3455.0000 -206.82077 -197.00279 9.81798 2.77045 -197.19126 885.27222
3460.0000 -207.87988 -198.05123 9.82866 2.71984 -198.16984 856.56386
3465.0000 -206.68710 -197.71148 8.97562 2.74512 -197.68110 875.52771
3470.0000 -208.15532 -197.55470 10.60063 2.70236 -198.50758 850.75827
3475.0000 -206.86457 -199.36689 7.49768 2.70750 -198.40822 839.99237
3480.0000 -208.80695 -200.40428 8.40267 2.64617 -199.59393 827.05492
3485.0000 -210.29781 -201.09335 9.20445 2.61270 -200.24098 810.16833
3490.0000 -209.69922 -201.44808 8.25114 2.54191 -201.60954 776.48815
3495.0000 -208.67740 -201.30217 7.37523 2.58405 -200.79482 780.53499
3500.0000 -207.64175 -198.99396 8.64779 2.63106 -199.88607 814.24710
FREEZING PROCESS: loop number 15 T-loop= 805.00000000000000
main_MD> interactions number 15 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07963 -0.74910 -0.88006
force_rgl> df(natom) -1.71712 -1.71726 -2.04487
3505.0000 -208.86450 -199.73980 9.12470 2.63292 -199.85006 827.83239
3510.0000 -209.34953 -199.05687 10.29266 2.66397 -199.24976 854.03979
3515.0000 -207.60446 -197.36011 10.24435 2.71611 -198.24177 863.52851
3520.0000 -208.42572 -198.18309 10.24263 2.73513 -197.87420 870.91596
3525.0000 -205.90573 -196.36329 9.54245 2.74366 -197.70921 882.83324
3530.0000 -206.99677 -197.80885 9.18792 2.78261 -196.95626 898.82180
3535.0000 -208.08075 -199.64579 8.43496 2.70557 -198.44558 856.40243
3540.0000 -207.52600 -199.00245 8.52355 2.68215 -198.89830 824.48516
3545.0000 -209.22410 -200.32520 8.89891 2.61424 -200.21118 787.17645
3550.0000 -209.96830 -201.56149 8.40680 2.58784 -200.72155 795.78642
3555.0000 -208.38278 -200.57606 7.80672 2.57720 -200.92721 785.71540
3560.0000 -209.29070 -199.70242 9.58828 2.61001 -200.29297 795.43886
3565.0000 -210.37717 -200.83860 9.53857 2.56669 -201.13052 803.84090
3570.0000 -208.90324 -200.95354 7.94970 2.64034 -199.70666 828.34791
3575.0000 -208.23666 -198.42776 9.80890 2.64042 -199.70512 806.56723
3580.0000 -209.55088 -201.16244 8.38844 2.60872 -200.31793 794.53076
3585.0000 -207.33826 -199.05863 8.27963 2.62555 -199.99256 802.64664
3590.0000 -209.27630 -200.74509 8.53121 2.63574 -199.79549 796.37856
3595.0000 -208.79740 -201.62669 7.17071 2.56383 -201.18576 759.78678
3600.0000 -208.82724 -200.31323 8.51401 2.61628 -200.17171 829.31065
3605.0000 -209.96696 -201.61205 8.35492 2.56936 -201.07892 777.02617
3610.0000 -210.26656 -202.30045 7.96611 2.53374 -201.76750 763.46400
3615.0000 -209.43196 -199.17525 10.25671 2.56698 -201.12480 741.11663
3620.0000 -208.06374 -199.49332 8.57042 2.60987 -200.29577 763.38268
3625.0000 -207.40230 -199.18404 8.21826 2.65964 -199.33353 796.45075
3630.0000 -208.75245 -201.68996 7.06249 2.58916 -200.69600 799.97575
3635.0000 -209.22091 -200.53891 8.68200 2.58759 -200.72639 781.29557
3640.0000 -207.02282 -197.06272 9.96011 2.71580 -198.24795 868.54248
3645.0000 -206.91105 -198.21179 8.69926 2.73746 -197.82911 877.34871
3650.0000 -208.81571 -199.41436 9.40135 2.66606 -199.20934 819.16858
3655.0000 -209.37713 -200.48126 8.89587 2.62564 -199.99076 828.82490
3660.0000 -207.47801 -199.85931 7.61869 2.59108 -200.65897 786.06571
3665.0000 -208.69932 -199.92007 8.77924 2.65689 -199.38663 802.86767
3670.0000 -209.43791 -199.15902 10.27889 2.65071 -199.50614 815.86046
3675.0000 -208.88925 -200.15251 8.73675 2.64462 -199.62384 824.20761
3680.0000 -208.56267 -200.78013 7.78254 2.56781 -201.10877 781.51908
3685.0000 -209.50101 -200.99385 8.50715 2.57662 -200.93840 779.91752
3690.0000 -209.24476 -200.74763 8.49712 2.59294 -200.62309 794.07004
3695.0000 -207.03203 -197.03400 9.99803 2.65827 -199.36009 841.05111
3700.0000 -210.67562 -201.30412 9.37150 2.70680 -198.42188 875.76372
3705.0000 -210.60800 -200.76857 9.83943 2.58331 -200.80922 748.40910
3710.0000 -208.33521 -199.44509 8.89012 2.59342 -200.61378 796.63729
3715.0000 -207.87365 -198.84050 9.03315 2.66723 -199.18681 850.51664
3720.0000 -209.87595 -200.34390 9.53206 2.63991 -199.71494 816.41229
3725.0000 -209.72437 -201.59009 8.13429 2.60027 -200.48124 786.95281
3730.0000 -209.15981 -200.29824 8.86157 2.57092 -201.04873 778.98205
3735.0000 -208.57856 -200.30099 8.27757 2.58493 -200.77782 763.43631
3740.0000 -209.80708 -200.20824 9.59884 2.58890 -200.70114 773.80607
3745.0000 -209.83278 -201.19118 8.64160 2.58141 -200.84583 785.98740
3750.0000 -211.08584 -202.42550 8.66034 2.53633 -201.71735 772.15287
FREEZING PROCESS: loop number 16 T-loop= 780.00000000000000
main_MD> interactions number 16 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.30980 -2.06230 3.91606
force_rgl> df(natom) -1.90918 -5.25539 5.27930
3755.0000 -209.93150 -201.44725 8.48425 2.53188 -201.80336 738.45173
3760.0000 -210.10401 -201.88837 8.21564 2.52120 -202.00979 750.08004
3765.0000 -208.04109 -200.65526 7.38583 2.57789 -200.91398 768.42942
3770.0000 -209.54189 -201.48838 8.05351 2.58228 -200.82899 780.33238
3775.0000 -210.57442 -201.29572 9.27870 2.54430 -201.56339 756.14252
3780.0000 -209.83120 -201.70618 8.12503 2.55217 -201.41114 746.19325
3785.0000 -210.91102 -202.70506 8.20596 2.52551 -201.92656 759.56005
3790.0000 -207.25474 -198.67569 8.57905 2.58758 -200.72659 798.26527
3795.0000 -208.48720 -200.04489 8.44231 2.63259 -199.85646 813.77026
3800.0000 -209.91429 -201.10199 8.81230 2.60673 -200.35636 769.80378
3805.0000 -208.63238 -200.53209 8.10029 2.60329 -200.42299 788.39207
3810.0000 -210.03820 -201.24982 8.78838 2.60717 -200.34798 797.26354
3815.0000 -210.83399 -202.40470 8.42929 2.54070 -201.63283 748.24378
3820.0000 -209.06155 -201.02033 8.04123 2.53518 -201.73971 735.25872
3825.0000 -208.85977 -201.05944 7.80033 2.61666 -200.16444 813.86594
3830.0000 -210.03810 -201.78168 8.25643 2.51982 -202.03647 722.26641
3835.0000 -209.98070 -202.40690 7.57379 2.54148 -201.61785 741.83976
3840.0000 -210.76133 -202.50134 8.25999 2.48826 -202.64661 724.60298
3845.0000 -210.69521 -202.69547 7.99974 2.50102 -202.39992 729.03875
3850.0000 -209.44735 -201.14610 8.30126 2.53358 -201.77046 744.53395
3855.0000 -210.11998 -201.12355 8.99643 2.58212 -200.83221 775.64813
3860.0000 -210.92366 -201.43104 9.49262 2.54317 -201.58512 762.87794
3865.0000 -210.10754 -201.08656 9.02098 2.61548 -200.18726 818.27508
3870.0000 -207.86952 -199.56827 8.30126 2.62682 -199.96806 773.76850
3875.0000 -209.55190 -201.38252 8.16938 2.61692 -200.15941 826.42406
3880.0000 -209.33154 -200.53985 8.79169 2.54374 -201.57408 757.76169
3885.0000 -209.40674 -200.75334 8.65340 2.54672 -201.51662 758.48801
3890.0000 -210.39411 -202.64746 7.74665 2.56406 -201.18123 745.80277
3895.0000 -210.43394 -202.48278 7.95117 2.46996 -203.00045 711.93530
3900.0000 -210.08799 -201.83458 8.25341 2.49327 -202.54983 759.60953
3905.0000 -210.44835 -201.41859 9.02976 2.53200 -201.80104 776.34625
3910.0000 -208.99849 -201.72045 7.27804 2.57403 -200.98855 769.91822
3915.0000 -211.05270 -200.23574 10.81696 2.56333 -201.19538 785.33213
3920.0000 -210.15309 -203.10755 7.04554 2.52277 -201.97961 775.88930
3925.0000 -210.96822 -202.52909 8.43913 2.52909 -201.85742 759.66469
3930.0000 -209.70708 -201.66433 8.04276 2.49063 -202.60077 704.32231
3935.0000 -209.20904 -201.11395 8.09509 2.55284 -201.39818 766.14935
3940.0000 -209.83699 -201.62653 8.21046 2.56131 -201.23452 800.42120
3945.0000 -208.61681 -201.32549 7.29131 2.54131 -201.62102 774.67277
3950.0000 -209.16094 -200.13606 9.02489 2.59443 -200.59421 783.49324
3955.0000 -209.85572 -201.27888 8.57684 2.62749 -199.95509 828.69434
3960.0000 -209.90246 -202.15672 7.74574 2.55696 -201.31858 753.88715
3965.0000 -207.90947 -199.43198 8.47749 2.63178 -199.87209 803.16989
3970.0000 -209.57275 -199.95270 9.62005 2.67674 -199.00305 863.19208
3975.0000 -208.97280 -201.12865 7.84415 2.60800 -200.33179 796.69375
3980.0000 -208.36674 -200.97268 7.39407 2.57888 -200.89488 777.24315
3985.0000 -208.74722 -200.81523 7.93199 2.59234 -200.63464 777.33725
3990.0000 -209.78497 -201.58831 8.19666 2.58371 -200.80145 779.25851
3995.0000 -209.81845 -201.50388 8.31456 2.55968 -201.26599 767.16456
4000.0000 -209.93753 -200.47678 9.46075 2.57924 -200.88775 773.15716
FREEZING PROCESS: loop number 17 T-loop= 755.00000000000000
main_MD> interactions number 17 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77144 -1.03650 3.86669
force_rgl> df(natom) -0.35058 0.05529 -1.57241
4005.0000 -208.97849 -199.60190 9.37658 2.63571 -199.79608 809.85649
4010.0000 -210.08183 -202.33729 7.74453 2.59429 -200.59695 802.87468
4015.0000 -211.25476 -202.25735 8.99742 2.51134 -202.20045 751.05126
4020.0000 -211.01791 -201.93057 9.08735 2.49510 -202.51453 740.10700
4025.0000 -209.89061 -201.47153 8.41908 2.52933 -201.85274 751.93609
4030.0000 -208.57506 -200.77252 7.80254 2.54090 -201.62911 735.71081
4035.0000 -210.35590 -201.57141 8.78449 2.55035 -201.44629 783.55641
4040.0000 -210.16784 -201.86476 8.30308 2.53804 -201.68434 755.92364
4045.0000 -208.45047 -199.48909 8.96138 2.54123 -201.62265 770.93189
4050.0000 -210.41110 -202.12957 8.28153 2.58958 -200.68791 790.87254
4055.0000 -208.95265 -200.02195 8.93070 2.53664 -201.71138 750.96509
4060.0000 -209.65601 -200.28151 9.37450 2.64044 -199.70473 826.73180
4065.0000 -209.55259 -200.14537 9.40722 2.59076 -200.66521 790.93416
4070.0000 -209.06896 -200.57709 8.49187 2.58059 -200.86177 771.34595
4075.0000 -210.67990 -203.10308 7.57682 2.57148 -201.03791 756.22096
4080.0000 -210.76055 -203.34801 7.41254 2.49830 -202.45252 712.65434
4085.0000 -208.84489 -201.75931 7.08558 2.50835 -202.25838 737.92134
4090.0000 -211.82884 -203.89310 7.93574 2.48148 -202.77780 725.69818
4095.0000 -209.61805 -202.17617 7.44188 2.44955 -203.39498 684.34855
4100.0000 -210.38142 -201.60051 8.78091 2.53167 -201.80753 743.38553
4105.0000 -209.41188 -200.42904 8.98284 2.57407 -200.98772 781.81398
4110.0000 -208.96074 -200.62458 8.33616 2.61284 -200.23833 810.51604
4115.0000 -210.60215 -201.22723 9.37492 2.60568 -200.37670 806.75790
4120.0000 -209.11264 -201.33577 7.77688 2.56450 -201.17273 776.18959
4125.0000 -210.44803 -203.42001 7.02802 2.50643 -202.29547 721.45317
4130.0000 -210.17498 -202.99725 7.17773 2.53607 -201.72247 729.56236
4135.0000 -209.11521 -201.30290 7.81231 2.54749 -201.50163 769.13084
4140.0000 -211.14765 -203.13571 8.01194 2.50789 -202.26711 740.54735
4145.0000 -211.01925 -203.50690 7.51235 2.46267 -203.14147 716.66587
4150.0000 -209.66114 -201.25705 8.40409 2.50409 -202.34074 738.89837
4155.0000 -211.51335 -201.89635 9.61700 2.52216 -201.99128 760.94553
4160.0000 -210.98155 -202.96162 8.01994 2.50692 -202.28597 748.11325
4165.0000 -210.72654 -203.97892 6.74762 2.48627 -202.68521 717.34233
4170.0000 -210.91605 -201.30877 9.60728 2.48382 -202.73260 734.04056
4175.0000 -210.21504 -200.79313 9.42191 2.54111 -201.62498 768.80130
4180.0000 -210.32245 -200.84714 9.47531 2.56541 -201.15528 774.47575
4185.0000 -209.38599 -200.39734 8.98865 2.61395 -200.21676 801.56253
4190.0000 -209.84841 -202.17769 7.67071 2.57293 -201.00986 793.54953
4195.0000 -209.33445 -201.25874 8.07571 2.52772 -201.88392 741.45382
4200.0000 -210.42421 -202.79776 7.62645 2.49784 -202.46144 725.02668
4205.0000 -209.50796 -201.00623 8.50173 2.56973 -201.07169 776.95950
4210.0000 -210.67197 -202.15087 8.52110 2.53713 -201.70184 753.34359
4215.0000 -209.33352 -200.47989 8.85363 2.58510 -200.77448 796.30623
4220.0000 -207.47871 -198.59680 8.88191 2.66292 -199.27006 845.25337
4225.0000 -209.57847 -202.13594 7.44253 2.60387 -200.41163 801.42763
4230.0000 -210.33282 -202.42427 7.90855 2.49363 -202.54280 715.52738
4235.0000 -210.52615 -202.82525 7.70090 2.51872 -202.05784 738.52979
4240.0000 -210.94726 -201.35615 9.59111 2.47990 -202.80824 724.33377
4245.0000 -210.15496 -202.41145 7.74351 2.54239 -201.60017 757.47373
4250.0000 -210.57552 -203.43748 7.13803 2.49177 -202.57876 717.97752
FREEZING PROCESS: loop number 18 T-loop= 730.00000000000000
main_MD> interactions number 18 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75580 5.43780 -4.92071
force_rgl> df(natom) -0.10062 -0.32879 0.29520
4255.0000 -209.84637 -202.13278 7.71359 2.47641 -202.87582 719.41900
4260.0000 -211.17990 -202.55137 8.62854 2.50349 -202.35219 718.80717
4265.0000 -211.76715 -203.52852 8.23862 2.50206 -202.37991 747.12109
4270.0000 -211.13379 -203.07503 8.05876 2.41057 -204.14865 658.59058
4275.0000 -210.32876 -202.53229 7.79646 2.50126 -202.39546 729.89148
4280.0000 -209.17559 -201.60143 7.57416 2.51445 -202.14028 758.65815
4285.0000 -210.12718 -202.60124 7.52593 2.52418 -201.95220 707.48442
4290.0000 -210.04826 -202.13273 7.91554 2.50690 -202.28634 725.42086
4295.0000 -209.80536 -203.28395 6.52140 2.48557 -202.69859 702.95064
4300.0000 -210.20544 -201.11584 9.08960 2.52535 -201.92967 734.31340
4305.0000 -210.77060 -202.78252 7.98808 2.51750 -202.08146 741.10390
4310.0000 -211.66231 -204.43599 7.22632 2.43346 -203.70603 692.12215
4315.0000 -210.18768 -203.06297 7.12471 2.43295 -203.71594 691.63617
4320.0000 -210.12447 -202.15360 7.97087 2.50689 -202.28651 747.31733
4325.0000 -209.58350 -202.31396 7.26954 2.49304 -202.55422 710.35315
4330.0000 -211.49129 -203.52843 7.96285 2.47576 -202.88833 728.09222
4335.0000 -211.49107 -203.85371 7.63736 2.42253 -203.91737 675.31197
4340.0000 -209.56453 -202.27252 7.29201 2.46838 -203.03099 714.62478
4345.0000 -210.88664 -202.40400 8.48264 2.54226 -201.60270 751.74206
4350.0000 -208.31443 -200.12162 8.19281 2.54900 -201.47248 761.82388
4355.0000 -211.09347 -201.73102 9.36245 2.62532 -199.99693 798.47977
4360.0000 -210.48234 -203.68467 6.79767 2.46593 -203.07837 707.27957
4365.0000 -209.87616 -201.23561 8.64056 2.55424 -201.37121 742.63607
4370.0000 -208.67839 -200.59515 8.08323 2.59234 -200.63452 769.05138
4375.0000 -210.23099 -202.83577 7.39522 2.54661 -201.51859 744.69776
4380.0000 -210.11719 -202.33929 7.77790 2.50366 -202.34900 699.17510
4385.0000 -209.03181 -200.75081 8.28100 2.51540 -202.12195 726.72337
4390.0000 -209.95845 -201.83149 8.12696 2.56409 -201.18081 760.29997
4395.0000 -209.49299 -201.42442 8.06857 2.51514 -202.12699 741.18798
4400.0000 -209.14786 -200.82543 8.32243 2.54366 -201.57569 741.26190
4405.0000 -210.43580 -201.90282 8.53298 2.57350 -200.99883 768.48752
4410.0000 -210.69604 -202.36084 8.33520 2.55952 -201.26916 775.63903
4415.0000 -209.00772 -201.40097 7.60675 2.52765 -201.88521 773.85784
4420.0000 -210.41431 -203.41149 7.00282 2.44986 -203.38901 725.28873
4425.0000 -209.55720 -200.67193 8.88527 2.50674 -202.28939 744.54324
4430.0000 -208.91148 -200.80101 8.11047 2.56249 -201.21174 771.88716
4435.0000 -209.51030 -202.22885 7.28145 2.55032 -201.44702 759.73607
4440.0000 -208.79408 -202.15273 6.64136 2.56164 -201.22807 771.76855
4445.0000 -209.71583 -202.46403 7.25179 2.49812 -202.45606 707.22348
4450.0000 -209.06397 -200.55640 8.50757 2.54021 -201.64230 763.32536
4455.0000 -210.35563 -202.49398 7.86165 2.51940 -202.04461 736.58414
4460.0000 -210.87136 -202.85655 8.01481 2.49636 -202.49018 729.32642
4465.0000 -212.32838 -203.64532 8.68306 2.48260 -202.75617 732.77038
4470.0000 -210.89677 -202.88870 8.00807 2.44883 -203.40892 689.57084
4475.0000 -211.51279 -203.17530 8.33749 2.52047 -202.02401 741.73584
4480.0000 -211.81007 -204.15403 7.65604 2.44377 -203.50672 675.81848
4485.0000 -210.02539 -202.03341 7.99198 2.48782 -202.65523 723.83762
4490.0000 -210.74581 -202.48359 8.26222 2.47076 -202.98494 720.37283
4495.0000 -209.82115 -201.31711 8.50404 2.55327 -201.38989 768.76487
4500.0000 -210.32249 -202.56265 7.75984 2.53190 -201.80294 742.27790
FREEZING PROCESS: loop number 19 T-loop= 705.00000000000000
main_MD> interactions number 19 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41664 0.89724 1.85780
force_rgl> df(natom) 0.24453 -0.32776 -5.36350
4505.0000 -211.70675 -204.03165 7.67510 2.48722 -202.66687 732.82609
4510.0000 -212.52093 -204.92860 7.59234 2.39212 -204.50536 688.16989
4515.0000 -213.35831 -205.36291 7.99540 2.37403 -204.85500 656.59411
4520.0000 -211.29156 -203.12671 8.16485 2.45428 -203.30356 698.43104
4525.0000 -210.57256 -202.56356 8.00899 2.49838 -202.45101 724.87621
4530.0000 -211.94774 -203.95770 7.99003 2.45437 -203.30191 718.79220
4535.0000 -211.83133 -204.85178 6.97955 2.38596 -204.62437 669.60230
4540.0000 -212.11209 -204.28641 7.82568 2.38827 -204.57964 678.14687
4545.0000 -208.89908 -201.98788 6.91120 2.45585 -203.27315 701.04588
4550.0000 -211.28454 -203.46336 7.82118 2.49633 -202.49060 714.30329
4555.0000 -211.10197 -203.42356 7.67841 2.44881 -203.40934 683.02121
4560.0000 -210.91758 -203.15983 7.75776 2.48375 -202.73380 717.11523
4565.0000 -209.75840 -202.83592 6.92249 2.45600 -203.27036 728.87907
4570.0000 -211.09350 -202.69381 8.39969 2.50684 -202.28748 734.57205
4575.0000 -210.32917 -202.44305 7.88612 2.52326 -201.97003 747.88478
4580.0000 -211.85433 -203.54041 8.31392 2.47940 -202.81792 706.12957
4585.0000 -211.66377 -204.11019 7.55358 2.42728 -203.82546 695.78755
4590.0000 -210.65678 -203.12499 7.53178 2.45472 -203.29502 708.50802
4595.0000 -209.99959 -202.27546 7.72413 2.50062 -202.40782 725.19056
4600.0000 -210.49789 -203.25350 7.24439 2.45905 -203.21136 691.04935
4605.0000 -210.13754 -202.34381 7.79372 2.48983 -202.61626 722.92721
4610.0000 -210.71388 -203.10927 7.60461 2.49391 -202.53751 718.18369
4615.0000 -211.38411 -204.28072 7.10339 2.42119 -203.94335 669.07220
4620.0000 -211.13346 -203.97809 7.15537 2.42455 -203.87842 691.60263
4625.0000 -211.44801 -204.01126 7.43675 2.42910 -203.79042 667.20963
4630.0000 -212.77373 -205.11703 7.65670 2.40475 -204.26107 677.42978
4635.0000 -213.59094 -205.82750 7.76343 2.34990 -205.32151 655.92372
4640.0000 -211.86589 -204.21455 7.65134 2.36771 -204.97724 655.26190
4645.0000 -211.32345 -205.23411 6.08934 2.36950 -204.94256 651.50502
4650.0000 -212.03366 -205.21422 6.81944 2.34537 -205.40913 638.37914
4655.0000 -211.08140 -203.66325 7.41815 2.40573 -204.24209 679.45077
4660.0000 -211.65853 -204.26345 7.39508 2.42702 -203.83066 685.56129
4665.0000 -211.71318 -203.96600 7.74718 2.39784 -204.39475 645.31981
4670.0000 -212.22937 -204.29067 7.93870 2.40313 -204.29245 673.25848
4675.0000 -211.26381 -204.60892 6.65489 2.39375 -204.47374 651.83860
4680.0000 -212.14416 -205.59033 6.55383 2.36579 -205.01423 637.28521
4685.0000 -212.65405 -205.32645 7.32760 2.36466 -205.03617 639.75432
4690.0000 -211.34874 -203.27208 8.07666 2.40709 -204.21588 688.34045
4695.0000 -210.63555 -202.90152 7.73402 2.46481 -203.10002 713.11894
4700.0000 -212.42841 -203.76192 8.66649 2.46572 -203.08237 729.05027
4705.0000 -211.40076 -203.83141 7.56935 2.42796 -203.81238 680.13031
4710.0000 -213.47564 -204.81689 8.65875 2.36869 -204.95827 647.16971
4715.0000 -212.27912 -204.89554 7.38358 2.37932 -204.75271 667.60455
4720.0000 -212.25603 -205.26730 6.98874 2.37794 -204.77949 670.50799
4725.0000 -211.18722 -203.53268 7.65454 2.39634 -204.42368 677.18312
4730.0000 -211.19809 -203.20473 7.99335 2.45991 -203.19472 734.02978
4735.0000 -212.31640 -204.41268 7.90372 2.43691 -203.63939 716.35267
4740.0000 -211.79222 -203.44465 8.34757 2.42221 -203.92353 693.93500
4745.0000 -209.86872 -203.38852 6.48020 2.41208 -204.11932 672.63485
4750.0000 -212.19845 -205.55142 6.64702 2.39276 -204.49288 646.48162
FREEZING PROCESS: loop number 20 T-loop= 680.00000000000000
main_MD> interactions number 20 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41103 1.28330 1.67213
force_rgl> df(natom) 1.50275 0.79827 -0.82067
4755.0000 -212.73814 -205.81476 6.92338 2.34800 -205.35826 644.94259
4760.0000 -210.82299 -203.57158 7.25141 2.41625 -204.03875 698.55094
4765.0000 -209.97272 -201.95628 8.01644 2.46976 -203.00426 699.07199
4770.0000 -210.40057 -203.25773 7.14285 2.50328 -202.35640 735.50040
4775.0000 -209.86155 -201.40825 8.45330 2.47881 -202.82935 713.73218
4780.0000 -210.49626 -202.73778 7.75849 2.51294 -202.16962 736.11460
4785.0000 -210.17862 -202.84909 7.32953 2.49530 -202.51062 731.17892
4790.0000 -211.09227 -204.19954 6.89273 2.45083 -203.37025 700.23154
4795.0000 -210.43848 -203.45524 6.98324 2.43692 -203.63916 691.89184
4800.0000 -210.25115 -203.06972 7.18142 2.43790 -203.62026 689.26645
4805.0000 -211.97847 -204.77328 7.20519 2.39980 -204.35677 656.54737
4810.0000 -211.58892 -203.31513 8.27379 2.38992 -204.54783 668.94482
4815.0000 -211.73218 -205.40816 6.32402 2.38211 -204.69878 664.09174
4820.0000 -210.11105 -203.91910 6.19195 2.42088 -203.94927 665.61083
4825.0000 -211.97481 -204.17567 7.79914 2.43376 -203.70019 680.15942
4830.0000 -212.21170 -204.53007 7.68163 2.41358 -204.09033 689.94820
4835.0000 -210.78465 -203.24456 7.54009 2.38775 -204.58973 673.61580
4840.0000 -211.78508 -202.61644 9.16864 2.45358 -203.31710 695.39610
4845.0000 -210.73130 -203.28790 7.44340 2.49387 -202.53831 750.56885
4850.0000 -210.88554 -201.85137 9.03417 2.46190 -203.15628 712.45929
4855.0000 -209.47693 -201.63642 7.84050 2.52085 -202.01661 730.49471
4860.0000 -210.70850 -202.79818 7.91032 2.46511 -203.09430 721.00199
4865.0000 -210.90953 -202.68858 8.22095 2.47145 -202.97165 725.19123
4870.0000 -212.60722 -203.88860 8.71862 2.47805 -202.84413 735.15707
4875.0000 -211.65763 -204.51492 7.14271 2.39228 -204.50226 664.61538
4880.0000 -211.67907 -204.47212 7.20694 2.38611 -204.62148 669.52795
4885.0000 -211.76946 -204.51925 7.25022 2.37643 -204.80866 651.28437
4890.0000 -211.50325 -204.40180 7.10145 2.38190 -204.70292 656.07452
4895.0000 -211.85084 -205.15598 6.69486 2.38214 -204.69821 661.78041
4900.0000 -211.75039 -204.77234 6.97806 2.40192 -204.31575 662.09392
4905.0000 -211.39577 -204.74749 6.64828 2.37950 -204.74918 655.91100
4910.0000 -210.13708 -203.03141 7.10567 2.43369 -203.70161 700.82322
4915.0000 -210.79343 -202.76786 8.02558 2.46462 -203.10361 695.43379
4920.0000 -212.15424 -205.04146 7.11278 2.46138 -203.16630 692.78294
4925.0000 -211.36610 -204.48175 6.88435 2.37608 -204.81542 633.17152
4930.0000 -212.76648 -204.91707 7.84941 2.36694 -204.99201 643.74297
4935.0000 -213.04686 -205.53867 7.50819 2.33290 -205.65006 627.96284
4940.0000 -212.49847 -205.61640 6.88207 2.36404 -205.04809 646.08802
4945.0000 -211.99756 -205.78810 6.20946 2.32813 -205.74237 620.44185
4950.0000 -212.11448 -205.14406 6.97042 2.32435 -205.81544 610.00197
4955.0000 -211.27728 -204.62752 6.64975 2.39358 -204.47711 659.69547
4960.0000 -212.09675 -204.48524 7.61151 2.38162 -204.70831 648.25413
4965.0000 -212.51567 -205.23310 7.28257 2.36713 -204.98836 644.99019
4970.0000 -211.99658 -205.09725 6.89933 2.35547 -205.21376 630.80458
4975.0000 -212.14222 -204.69954 7.44268 2.34726 -205.37252 623.95206
4980.0000 -213.06293 -205.96073 7.10221 2.36825 -204.96679 650.88741
4985.0000 -212.52469 -205.60811 6.91658 2.32297 -205.84204 620.76513
4990.0000 -212.97784 -206.02233 6.95551 2.35514 -205.22024 651.55134
4995.0000 -212.85128 -204.80065 8.05063 2.34769 -205.36415 654.29682
5000.0000 -211.96148 -205.07616 6.88531 2.38931 -204.55968 653.51577
FREEZING PROCESS: loop number 21 T-loop= 655.00000000000000
main_MD> interactions number 21 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93848 0.16315 -0.07471
force_rgl> df(natom) 1.92390 -1.88568 1.42953
5005.0000 -211.03647 -204.39526 6.64121 2.37696 -204.79842 657.20296
5010.0000 -211.84153 -203.69823 8.14330 2.44260 -203.52943 692.45173
5015.0000 -211.46713 -204.94904 6.51808 2.37232 -204.88798 652.62761
5020.0000 -212.33734 -205.34992 6.98741 2.38471 -204.64851 663.58758
5025.0000 -211.30927 -205.11204 6.19724 2.35609 -205.20176 674.60851
5030.0000 -212.75745 -204.90939 7.84806 2.38396 -204.66300 650.84088
5035.0000 -213.37945 -206.23576 7.14369 2.33403 -205.62835 651.58407
5040.0000 -213.67073 -206.76942 6.90131 2.28579 -206.56086 589.50645
5045.0000 -212.95596 -206.85802 6.09793 2.30007 -206.28475 612.29001
5050.0000 -213.43084 -206.81584 6.61500 2.27095 -206.84768 614.56663
5055.0000 -211.93865 -203.79263 8.14601 2.34881 -205.34264 657.65198
5060.0000 -211.50473 -204.51104 6.99370 2.40153 -204.32328 677.17663
5065.0000 -212.11417 -204.88406 7.23010 2.36498 -205.02990 629.98857
5070.0000 -211.34487 -204.25528 7.08958 2.39220 -204.50379 677.81159
5075.0000 -213.49306 -206.44208 7.05098 2.31801 -205.93799 620.68730
5080.0000 -212.54642 -204.78531 7.76111 2.34711 -205.37538 638.83060
5085.0000 -211.68293 -204.75227 6.93066 2.34278 -205.45909 638.19944
5090.0000 -212.86238 -204.48843 8.37395 2.39782 -204.39502 684.88014
5095.0000 -212.62609 -205.21678 7.40932 2.36759 -204.97955 661.99583
5100.0000 -212.01295 -206.36392 5.64903 2.32801 -205.74459 607.86530
5105.0000 -211.83786 -205.86940 5.96847 2.30320 -206.22431 592.12280
5110.0000 -211.62482 -204.22704 7.39777 2.34840 -205.35052 614.34356
5115.0000 -211.98632 -204.87495 7.11137 2.41413 -204.07982 664.44762
5120.0000 -212.21534 -204.84173 7.37361 2.38616 -204.62055 652.65942
5125.0000 -212.90429 -205.74350 7.16079 2.33078 -205.69118 624.26541
5130.0000 -212.56960 -205.80685 6.76274 2.33454 -205.61847 642.50827
5135.0000 -213.62204 -206.28948 7.33256 2.33053 -205.69590 641.99619
5140.0000 -213.00264 -205.90012 7.10252 2.30352 -206.21807 616.52395
5145.0000 -211.68221 -204.37028 7.31193 2.33212 -205.66528 629.33733
5150.0000 -211.40857 -204.00527 7.40330 2.41476 -204.06755 679.13182
5155.0000 -211.82969 -204.22888 7.60081 2.42047 -203.95715 682.25692
5160.0000 -213.55347 -207.25187 6.30160 2.31364 -206.02251 638.51723
5165.0000 -212.95564 -206.29101 6.66462 2.29067 -206.46660 608.11259
5170.0000 -212.46805 -205.46413 7.00392 2.29837 -206.31760 615.74919
5175.0000 -211.73579 -204.45781 7.27799 2.38705 -204.60331 669.70353
5180.0000 -211.51731 -204.52570 6.99162 2.42053 -203.95598 675.50398
5185.0000 -210.87942 -204.74071 6.13871 2.38937 -204.55843 656.68690
5190.0000 -211.96097 -205.52701 6.43396 2.36351 -205.05831 646.32657
5195.0000 -212.31295 -204.69577 7.61718 2.36796 -204.97237 655.75607
5200.0000 -212.54568 -205.88902 6.65666 2.35511 -205.22066 666.96747
5205.0000 -210.67919 -204.46420 6.21499 2.35738 -205.17689 664.25352
5210.0000 -211.80314 -204.87182 6.93132 2.37127 -204.90843 636.48887
5215.0000 -212.67326 -206.68673 5.98652 2.33913 -205.52968 626.93268
5220.0000 -211.96192 -204.55457 7.40735 2.32578 -205.78776 610.58715
5225.0000 -212.25267 -204.76515 7.48753 2.39494 -204.45066 673.69876
5230.0000 -211.37817 -203.44017 7.93800 2.44282 -203.52523 704.85638
5235.0000 -211.81801 -204.02830 7.78972 2.41106 -204.13914 666.73477
5240.0000 -211.66772 -204.36509 7.30264 2.42553 -203.85941 682.15997
5245.0000 -212.65088 -205.67144 6.97945 2.35770 -205.17076 627.39718
5250.0000 -212.42280 -204.79708 7.62571 2.33544 -205.60107 616.23601
FREEZING PROCESS: loop number 22 T-loop= 630.00000000000000
main_MD> interactions number 22 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92872 0.37395 -1.08648
force_rgl> df(natom) 2.77300 -2.19705 -1.57708
5255.0000 -212.15713 -205.09734 7.05979 2.39445 -204.46031 672.60483
5260.0000 -212.60360 -205.86280 6.74080 2.33765 -205.55835 635.69067
5265.0000 -211.83519 -204.69840 7.13678 2.35089 -205.30235 641.60790
5270.0000 -211.96689 -205.93352 6.03337 2.35595 -205.20449 624.53054
5275.0000 -212.31248 -205.22304 7.08943 2.35297 -205.26219 622.83160
5280.0000 -212.30195 -205.39142 6.91053 2.33206 -205.66641 620.30867
5285.0000 -211.64386 -205.55196 6.09190 2.31807 -205.93686 595.98375
5290.0000 -212.89783 -204.57659 8.32123 2.37585 -204.81976 649.44993
5295.0000 -211.05304 -204.80058 6.25246 2.38697 -204.60486 679.23125
5300.0000 -212.24640 -205.02839 7.21800 2.34114 -205.49080 639.93494
5305.0000 -212.43305 -204.52874 7.90431 2.37659 -204.80552 647.46198
5310.0000 -212.78971 -205.20847 7.58124 2.35914 -205.14275 652.43836
5315.0000 -212.61371 -206.40239 6.21132 2.34636 -205.38991 634.41273
5320.0000 -211.76833 -205.52845 6.23988 2.30087 -206.26935 601.40952
5325.0000 -212.69368 -206.17792 6.51576 2.27998 -206.67310 606.27198
5330.0000 -211.75706 -205.67823 6.07882 2.29733 -206.33778 597.23151
5335.0000 -212.01859 -205.07297 6.94563 2.36545 -205.02089 650.21592
5340.0000 -211.34725 -204.99767 6.34958 2.35156 -205.28947 627.28325
5345.0000 -214.17080 -206.86484 7.30596 2.26966 -206.87259 582.25357
5350.0000 -212.84896 -206.98168 5.86728 2.29040 -206.47177 602.57986
5355.0000 -212.62301 -205.44881 7.17420 2.28757 -206.52637 601.80219
5360.0000 -212.65221 -205.57215 7.08006 2.34279 -205.45898 647.68993
5365.0000 -211.89634 -204.30851 7.58783 2.35341 -205.25358 649.09490
5370.0000 -213.00428 -205.40160 7.60268 2.35440 -205.23442 645.59271
5375.0000 -211.19145 -204.27968 6.91176 2.36038 -205.11890 631.86562
5380.0000 -213.04352 -207.17682 5.86670 2.29307 -206.42016 613.15763
5385.0000 -213.69478 -206.10892 7.58585 2.24930 -207.26621 585.59896
5390.0000 -213.67457 -205.78563 7.88894 2.30030 -206.28028 633.03361
5395.0000 -212.50472 -205.88234 6.62238 2.34566 -205.40349 650.05215
5400.0000 -212.96105 -205.93140 7.02965 2.35170 -205.28663 636.97683
5405.0000 -211.55562 -204.86330 6.69233 2.37312 -204.87255 660.25184
5410.0000 -211.82472 -205.01966 6.80506 2.38478 -204.64710 662.76418
5415.0000 -212.38292 -205.78598 6.59695 2.37481 -204.83990 644.29070
5420.0000 -211.94290 -205.91201 6.03089 2.32588 -205.78583 621.47282
5425.0000 -212.26961 -204.72317 7.54643 2.33776 -205.55610 627.13089
5430.0000 -212.60888 -205.20725 7.40163 2.40114 -204.33084 674.06097
5435.0000 -213.13490 -205.53157 7.60333 2.32275 -205.84633 626.35270
5440.0000 -214.52572 -207.01056 7.51516 2.28641 -206.54893 612.46550
5445.0000 -212.58922 -205.74388 6.84534 2.31334 -206.02831 624.92688
5450.0000 -213.20582 -205.51943 7.68639 2.33016 -205.70300 649.42979
5455.0000 -214.17680 -207.37365 6.80316 2.27774 -206.71643 613.63245
5460.0000 -212.81298 -205.62254 7.19044 2.26624 -206.93883 607.58898
5465.0000 -211.95600 -205.72058 6.23542 2.33710 -205.56898 647.72115
5470.0000 -211.52122 -205.20583 6.31539 2.35557 -205.21194 635.02459
5475.0000 -210.60987 -202.93942 7.67045 2.40315 -204.29199 671.85893
5480.0000 -213.28603 -205.46037 7.82566 2.36396 -205.04969 639.71459
5485.0000 -212.72669 -205.44639 7.28030 2.37399 -204.85584 648.99702
5490.0000 -213.86059 -204.70397 9.15662 2.34030 -205.50701 649.70804
5495.0000 -212.00085 -204.69644 7.30441 2.41158 -204.12898 680.64075
5500.0000 -213.05935 -206.61068 6.44867 2.31302 -206.03436 618.35581
FREEZING PROCESS: loop number 23 T-loop= 605.00000000000000
main_MD> interactions number 23 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27345 -0.22652 -2.75698
force_rgl> df(natom) -4.34260 3.69590 -1.40662
5505.0000 -212.19548 -205.36450 6.83098 2.32204 -205.86000 637.57589
5510.0000 -213.15445 -206.75380 6.40065 2.34759 -205.36612 641.73804
5515.0000 -214.19668 -206.89572 7.30097 2.25853 -207.08790 596.59463
5520.0000 -214.26051 -208.03627 6.22424 2.22933 -207.65243 568.56014
5525.0000 -214.52828 -208.41786 6.11042 2.22795 -207.67893 558.24316
5530.0000 -212.34703 -206.59387 5.75316 2.27406 -206.78753 583.66171
5535.0000 -213.39491 -205.95028 7.44463 2.30415 -206.20595 617.66121
5540.0000 -212.13726 -205.62058 6.51669 2.28611 -206.55462 606.26896
5545.0000 -213.33120 -206.90046 6.43075 2.25713 -207.11495 601.74078
5550.0000 -213.16151 -207.35818 5.80333 2.27644 -206.74154 584.07448
5555.0000 -214.26251 -207.76899 6.49352 2.22748 -207.68816 556.54015
5560.0000 -213.97858 -207.81469 6.16389 2.19972 -208.22477 529.20957
5565.0000 -212.54412 -206.48826 6.05586 2.26727 -206.91891 592.26634
5570.0000 -212.73617 -205.86020 6.87596 2.30074 -206.27176 597.29734
5575.0000 -214.14963 -208.45188 5.69775 2.24485 -207.35232 593.07275
5580.0000 -213.67520 -206.85564 6.81957 2.22562 -207.72406 575.71694
5585.0000 -214.73458 -208.18480 6.54977 2.22941 -207.65073 611.82928
5590.0000 -212.93148 -206.01734 6.91414 2.28214 -206.63143 630.49918
5595.0000 -214.48917 -208.58744 5.90173 2.22733 -207.69106 583.79396
5600.0000 -213.49940 -208.34009 5.15932 2.19455 -208.32479 582.91010
5605.0000 -213.80012 -207.40557 6.39454 2.19743 -208.26899 564.87812
5610.0000 -214.23149 -207.13174 7.09975 2.25217 -207.21071 607.09901
5615.0000 -214.05354 -207.61007 6.44347 2.24154 -207.41636 599.04432
5620.0000 -212.75528 -206.71614 6.03914 2.27523 -206.76509 610.39607
5625.0000 -213.54380 -206.76176 6.78203 2.30434 -206.20221 623.68411
5630.0000 -214.40358 -207.90806 6.49551 2.24459 -207.35740 563.43665
5635.0000 -213.83981 -207.30895 6.53087 2.20920 -208.04145 577.55231
5640.0000 -213.48509 -207.23421 6.25088 2.27578 -206.75433 629.99652
5645.0000 -213.75678 -206.30591 7.45088 2.26663 -206.93133 598.72139
5650.0000 -214.13552 -206.23923 7.89628 2.30359 -206.21675 629.29286
5655.0000 -213.18544 -206.77920 6.40624 2.25190 -207.21611 616.52850
5660.0000 -213.46502 -207.14532 6.31970 2.23497 -207.54339 589.24177
5665.0000 -211.89072 -206.15300 5.73772 2.33226 -205.66251 634.71634
5670.0000 -213.45829 -206.80005 6.65824 2.29789 -206.32692 607.80103
5675.0000 -214.00009 -208.47650 5.52359 2.20524 -208.11813 563.70677
5680.0000 -214.75033 -207.87364 6.87670 2.19148 -208.38403 579.69758
5685.0000 -212.51172 -206.41930 6.09242 2.25746 -207.10855 600.58816
5690.0000 -214.97264 -208.29492 6.67772 2.26546 -206.95389 592.54428
5695.0000 -214.66947 -208.89707 5.77239 2.18289 -208.55015 558.28979
5700.0000 -214.13920 -208.49508 5.64412 2.18959 -208.42058 567.86230
5705.0000 -214.38949 -207.76649 6.62300 2.20007 -208.21792 565.83055
5710.0000 -212.44679 -205.84651 6.60028 2.27677 -206.73524 615.78046
5715.0000 -211.87236 -205.27181 6.60055 2.30480 -206.19329 611.17828
5720.0000 -212.81352 -205.18054 7.63299 2.37759 -204.78614 659.76021
5725.0000 -212.88422 -205.15617 7.72804 2.35822 -205.16063 641.50725
5730.0000 -212.11850 -204.94144 7.17706 2.38059 -204.72814 654.16155
5735.0000 -212.25484 -205.34148 6.91336 2.32164 -205.86779 634.34603
5740.0000 -213.74602 -206.57354 7.17247 2.28687 -206.53995 594.37561
5745.0000 -211.92090 -205.05191 6.86899 2.33545 -205.60075 634.82911
5750.0000 -213.23728 -205.90249 7.33479 2.32319 -205.83784 632.56044
FREEZING PROCESS: loop number 24 T-loop= 580.00000000000000
main_MD> interactions number 24 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66684 -1.85872 -0.93262
force_rgl> df(natom) 6.19890 0.42836 1.63715
5755.0000 -212.52018 -205.29694 7.22324 2.32610 -205.78165 625.95708
5760.0000 -214.08715 -206.88461 7.20254 2.29904 -206.30475 596.94315
5765.0000 -214.40143 -208.43784 5.96359 2.24859 -207.28008 553.55613
5770.0000 -212.68611 -207.34450 5.34161 2.22266 -207.78125 519.59572
5775.0000 -212.99170 -206.29674 6.69496 2.28756 -206.52666 589.66546
5780.0000 -213.80782 -207.87518 5.93264 2.27401 -206.78859 584.54087
5785.0000 -213.45272 -207.58962 5.86309 2.22647 -207.70771 544.00038
5790.0000 -213.67026 -207.24311 6.42715 2.25260 -207.20249 552.41112
5795.0000 -212.42750 -206.08881 6.33869 2.30167 -206.25391 587.22810
5800.0000 -214.06400 -207.75422 6.30979 2.27212 -206.82509 588.64523
5805.0000 -214.80347 -208.79528 6.00819 2.19757 -208.26639 565.66443
5810.0000 -214.35074 -208.13065 6.22009 2.20693 -208.08530 588.70039
5815.0000 -214.32550 -208.79619 5.52931 2.16979 -208.80341 567.42923
5820.0000 -214.32649 -208.26398 6.06252 2.18282 -208.55143 543.06286
5825.0000 -213.90016 -207.55580 6.34437 2.19370 -208.34109 531.31968
5830.0000 -213.70652 -207.21327 6.49325 2.26366 -206.98873 591.96446
5835.0000 -214.25124 -207.90991 6.34132 2.21859 -207.85993 560.32872
5840.0000 -214.26957 -207.68468 6.58489 2.21371 -207.95422 567.40866
5845.0000 -213.20944 -207.74790 5.46155 2.24618 -207.32656 583.72820
5850.0000 -213.34010 -207.54902 5.79108 2.23499 -207.54299 561.93933
5855.0000 -213.45777 -206.40194 7.05583 2.24423 -207.36424 604.52700
5860.0000 -212.89385 -206.15666 6.73719 2.30342 -206.21995 616.83792
5865.0000 -212.59706 -206.08764 6.50942 2.30798 -206.13187 581.74598
5870.0000 -213.65065 -206.27910 7.37155 2.30569 -206.17611 603.61402
5875.0000 -212.30835 -207.14300 5.16534 2.28337 -206.60764 580.07044
5880.0000 -214.55287 -208.31518 6.23769 2.21465 -207.93620 545.86661
5885.0000 -212.90554 -206.68035 6.22519 2.25710 -207.11549 583.53263
5890.0000 -213.37081 -207.06790 6.30291 2.28562 -206.56408 599.76260
5895.0000 -213.55417 -208.23769 5.31647 2.26081 -207.04380 579.56265
5900.0000 -214.14729 -207.33968 6.80762 2.23102 -207.61958 558.91716
5905.0000 -213.17037 -206.15433 7.01605 2.27288 -206.81041 625.41434
5910.0000 -212.80186 -206.17419 6.62767 2.29724 -206.33947 608.41567
5915.0000 -213.37857 -205.84644 7.53212 2.32623 -205.77907 653.02304
5920.0000 -211.68257 -205.90467 5.77789 2.32863 -205.73265 643.72975
5925.0000 -212.67900 -205.71191 6.96709 2.29851 -206.31489 610.05733
5930.0000 -212.69967 -205.91070 6.78897 2.30096 -206.26767 611.43481
5935.0000 -212.42816 -205.88167 6.54649 2.27490 -206.77145 601.76860
5940.0000 -213.44440 -206.76286 6.68154 2.27025 -206.86124 575.27054
5945.0000 -212.81032 -207.25009 5.56023 2.23799 -207.48499 548.68853
5950.0000 -213.99550 -207.34105 6.65445 2.21373 -207.95384 552.83490
5955.0000 -214.99579 -208.51414 6.48165 2.24301 -207.38790 588.16270
5960.0000 -214.03613 -207.72888 6.30726 2.23959 -207.45393 582.22020
5965.0000 -213.97845 -207.89237 6.08608 2.20985 -208.02901 546.96642
5970.0000 -214.08962 -206.96048 7.12914 2.24343 -207.37974 568.47497
5975.0000 -214.25757 -206.83022 7.42735 2.28872 -206.50414 609.83748
5980.0000 -213.02086 -206.64850 6.37236 2.28615 -206.55385 613.46610
5985.0000 -213.19041 -206.95194 6.23847 2.29579 -206.36747 618.23414
5990.0000 -212.78321 -206.68417 6.09904 2.29655 -206.35285 594.11810
5995.0000 -212.92802 -205.78431 7.14370 2.28968 -206.48559 604.46520
6000.0000 -212.52431 -206.75750 5.76681 2.28692 -206.53905 589.25344
FREEZING PROCESS: loop number 25 T-loop= 555.00000000000000
main_MD> interactions number 25 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.62001 0.52486 -0.59567
force_rgl> df(natom) 0.92687 0.84157 -0.13083
6005.0000 -213.59830 -207.04501 6.55329 2.24030 -207.44028 550.84641
6010.0000 -212.40473 -206.70518 5.69955 2.28155 -206.64281 596.50475
6015.0000 -213.21287 -206.95473 6.25814 2.25542 -207.14788 572.53759
6020.0000 -214.22451 -208.42923 5.79529 2.22113 -207.81085 560.18335
6025.0000 -214.31900 -207.76297 6.55603 2.21599 -207.91015 564.77982
6030.0000 -212.79484 -206.74015 6.05469 2.24692 -207.31220 586.19350
6035.0000 -213.37814 -207.64355 5.73459 2.26723 -206.91964 589.06359
6040.0000 -213.83079 -208.50975 5.32103 2.20935 -208.03858 549.42521
6045.0000 -214.05272 -207.60825 6.44448 2.24334 -207.38150 565.66182
6050.0000 -213.14090 -207.19725 5.94365 2.22387 -207.75785 577.95428
6055.0000 -213.47965 -207.47053 6.00913 2.25572 -207.14223 573.63451
6060.0000 -213.11422 -206.16618 6.94804 2.27338 -206.80085 576.72004
6065.0000 -214.28588 -208.22540 6.06048 2.25007 -207.25147 563.74217
6070.0000 -213.33962 -208.43168 4.90794 2.21265 -207.97478 537.04735
6075.0000 -214.19088 -208.76851 5.42237 2.19904 -208.23795 518.94963
6080.0000 -214.90858 -208.98201 5.92657 2.15239 -209.13976 503.55815
6085.0000 -212.90671 -207.24846 5.65825 2.20543 -208.11438 564.35257
6090.0000 -212.54742 -205.82015 6.72727 2.32549 -205.79328 610.96410
6095.0000 -212.85779 -207.02860 5.82919 2.27073 -206.85192 554.89664
6100.0000 -214.68718 -208.64081 6.04637 2.22755 -207.68675 567.93545
6105.0000 -214.93879 -209.54771 5.39108 2.12246 -209.71846 478.19293
6110.0000 -214.37545 -208.62434 5.75111 2.16879 -208.82262 525.55305
6115.0000 -214.96278 -208.68787 6.27491 2.19508 -208.31448 537.64828
6120.0000 -214.54367 -208.25427 6.28941 2.17000 -208.79923 558.31694
6125.0000 -213.69814 -208.04414 5.65400 2.19668 -208.28351 568.38301
6130.0000 -214.67361 -208.81430 5.85930 2.20035 -208.21258 554.27290
6135.0000 -214.41559 -209.67857 4.73703 2.19291 -208.35638 552.28157
6140.0000 -215.36681 -210.14003 5.22678 2.14968 -209.19219 510.58453
6145.0000 -214.22866 -209.09026 5.13840 2.16433 -208.90891 521.80095
6150.0000 -214.33253 -208.45105 5.88147 2.17961 -208.61344 524.37851
6155.0000 -214.54940 -207.50557 7.04384 2.18932 -208.42590 550.41946
6160.0000 -214.70670 -208.60095 6.10576 2.22612 -207.71448 571.17025
6165.0000 -214.91214 -208.83028 6.08186 2.19105 -208.39244 555.21433
6170.0000 -215.06985 -208.98874 6.08111 2.15178 -209.15149 549.87141
6175.0000 -214.24339 -208.72899 5.51440 2.19680 -208.28119 561.46616
6180.0000 -213.60387 -208.15722 5.44664 2.19177 -208.37846 540.17680
6185.0000 -213.49852 -206.98182 6.51669 2.26689 -206.92614 593.43731
6190.0000 -213.79890 -207.62674 6.17216 2.20693 -208.08532 556.86163
6195.0000 -214.68918 -208.75070 5.93847 2.22395 -207.75641 543.36205
6200.0000 -213.87035 -207.60140 6.26895 2.20237 -208.17346 541.28709
6205.0000 -213.93487 -208.27171 5.66316 2.21786 -207.87406 556.67473
6210.0000 -214.90836 -208.23458 6.67378 2.22016 -207.82963 547.58961
6215.0000 -214.62949 -209.54777 5.08172 2.16801 -208.83785 534.16360
6220.0000 -214.63171 -208.73244 5.89928 2.16573 -208.88178 527.80428
6225.0000 -215.27507 -209.52315 5.75192 2.16302 -208.93417 508.52983
6230.0000 -213.99550 -207.78882 6.20669 2.19712 -208.27510 567.54855
6235.0000 -214.79536 -208.08389 6.71147 2.19824 -208.25338 558.51555
6240.0000 -215.29344 -209.26379 6.02965 2.20456 -208.13127 555.63825
6245.0000 -214.60627 -208.02056 6.58571 2.21039 -208.01842 566.16360
6250.0000 -215.27172 -209.13855 6.13317 2.19362 -208.34265 570.76806
FREEZING PROCESS: loop number 26 T-loop= 530.00000000000000
main_MD> interactions number 26 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56454 0.82279 3.31146
force_rgl> df(natom) 0.72048 1.78585 -1.06086
6255.0000 -215.63369 -209.14499 6.48870 2.12481 -209.67296 535.69312
6260.0000 -215.41563 -209.69662 5.71901 2.10360 -210.08306 518.32057
6265.0000 -215.17583 -209.63626 5.53957 2.08460 -210.45023 499.43287
6270.0000 -216.20551 -209.75744 6.44806 2.12022 -209.76169 538.72830
6275.0000 -214.82387 -209.52615 5.29773 2.11514 -209.85995 537.82398
6280.0000 -215.71589 -208.86486 6.85103 2.16337 -208.92748 582.96763
6285.0000 -215.20358 -207.91659 7.28698 2.18966 -208.41928 596.86641
6290.0000 -214.96507 -209.41839 5.54667 2.18991 -208.41436 576.37588
6295.0000 -216.30043 -210.10687 6.19356 2.12771 -209.61683 547.14374
6300.0000 -215.19673 -208.95529 6.24143 2.13738 -209.42993 559.29871
6305.0000 -215.25817 -208.83055 6.42763 2.14844 -209.21609 542.37873
6310.0000 -215.00170 -209.05174 5.94996 2.16156 -208.96249 556.75241
6315.0000 -216.22302 -210.87802 5.34500 2.10361 -210.08287 519.69032
6320.0000 -216.46059 -210.12141 6.33917 2.08460 -210.45029 503.83992
6325.0000 -215.76112 -208.89643 6.86469 2.10914 -209.97596 522.82084
6330.0000 -214.83504 -208.44424 6.39079 2.20046 -208.21051 577.96639
6335.0000 -214.84688 -209.50821 5.33867 2.13794 -209.41907 519.31540
6340.0000 -214.92799 -209.76542 5.16257 2.11141 -209.93199 518.36106
6345.0000 -214.60035 -209.67872 4.92162 2.11214 -209.91782 506.89056
6350.0000 -215.33138 -209.45647 5.87491 2.13990 -209.38114 535.39560
6355.0000 -216.11292 -209.64803 6.46489 2.13325 -209.50972 535.39073
6360.0000 -215.65922 -209.92123 5.73799 2.12051 -209.75605 525.82016
6365.0000 -216.23743 -210.14376 6.09368 2.13254 -209.52353 544.07260
6370.0000 -215.60557 -209.95996 5.64561 2.12943 -209.58354 530.13367
6375.0000 -215.49174 -210.06022 5.43153 2.11169 -209.92665 515.48326
6380.0000 -214.53470 -208.55979 5.97492 2.14144 -209.35147 543.36293
6385.0000 -215.04144 -209.76273 5.27871 2.16131 -208.96736 549.73575
6390.0000 -215.04881 -208.43169 6.61712 2.19349 -208.34513 574.47590
6395.0000 -215.26680 -209.04298 6.22382 2.17824 -208.64004 570.74810
6400.0000 -215.76065 -209.58937 6.17128 2.16640 -208.86885 559.70565
6405.0000 -215.21051 -209.33777 5.87274 2.12373 -209.69374 530.70489
6410.0000 -216.26356 -209.88527 6.37828 2.12513 -209.66677 531.87280
6415.0000 -215.89150 -210.37069 5.52081 2.12277 -209.71231 535.29514
6420.0000 -214.89828 -208.58876 6.30952 2.14744 -209.23544 546.45837
6425.0000 -215.29356 -208.82876 6.46480 2.15145 -209.15787 560.83834
6430.0000 -215.77995 -209.45219 6.32776 2.14688 -209.24623 561.24994
6435.0000 -216.42359 -209.30788 7.11571 2.15798 -209.03166 564.15553
6440.0000 -215.31657 -209.25827 6.05830 2.10942 -209.97048 539.75534
6445.0000 -214.78157 -209.65548 5.12609 2.12316 -209.70476 515.22510
6450.0000 -215.12968 -210.06860 5.06108 2.09474 -210.25432 513.04345
6455.0000 -215.47163 -209.41082 6.06081 2.10202 -210.11346 504.86531
6460.0000 -215.44359 -209.68082 5.76277 2.13173 -209.53910 521.34564
6465.0000 -215.41588 -209.79932 5.61656 2.12262 -209.71523 526.17733
6470.0000 -215.02610 -208.62201 6.40408 2.15399 -209.10887 548.10015
6475.0000 -215.30738 -207.97707 7.33031 2.18615 -208.48716 557.84873
6480.0000 -215.95735 -209.87727 6.08008 2.16431 -208.90924 550.45328
6485.0000 -216.03440 -210.11942 5.91498 2.12129 -209.74101 528.92089
6490.0000 -216.72105 -210.77302 5.94803 2.07046 -210.72365 487.26322
6495.0000 -215.16073 -209.36723 5.79350 2.11325 -209.89634 523.56053
6500.0000 -214.14223 -208.83444 5.30779 2.16530 -208.89010 559.46688
FREEZING PROCESS: loop number 27 T-loop= 505.00000000000000
main_MD> interactions number 27 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50867 0.27299 0.43425
force_rgl> df(natom) -2.81331 -0.84081 0.41010
6505.0000 -214.68996 -209.23715 5.45281 2.16796 -208.83869 571.89516
6510.0000 -215.92020 -209.35518 6.56502 2.15674 -209.05557 570.22756
6515.0000 -215.47393 -210.12814 5.34579 2.12679 -209.63460 546.34957
6520.0000 -216.94192 -211.95045 4.99147 2.04648 -211.18715 483.96904
6525.0000 -216.86843 -211.92663 4.94181 2.03513 -211.40655 468.73103
6530.0000 -216.85921 -211.62566 5.23354 2.03765 -211.35801 474.99684
6535.0000 -215.73268 -210.56779 5.16489 2.05091 -211.10164 487.87770
6540.0000 -215.67824 -209.53547 6.14277 2.07469 -210.64178 522.60352
6545.0000 -215.90109 -210.68798 5.21311 2.12743 -209.62233 546.40143
6550.0000 -216.49826 -210.68803 5.81023 2.07195 -210.69487 509.75661
6555.0000 -216.50624 -210.86962 5.63662 2.06441 -210.84052 500.60362
6560.0000 -215.45144 -209.82888 5.62256 2.06675 -210.79527 497.03464
6565.0000 -216.13580 -210.16269 5.97311 2.11863 -209.79241 536.66705
6570.0000 -216.04185 -210.98064 5.06122 2.07960 -210.54685 508.71967
6575.0000 -215.80264 -210.03064 5.77200 2.09507 -210.24783 510.58011
6580.0000 -216.00267 -210.13980 5.86287 2.10685 -210.02006 526.98331
6585.0000 -215.42320 -209.65864 5.76456 2.12614 -209.64728 536.01984
6590.0000 -216.61402 -210.96477 5.64925 2.10665 -210.02407 508.31587
6595.0000 -214.45236 -209.58845 4.86391 2.08990 -210.34778 506.36239
6600.0000 -215.21494 -209.92656 5.28838 2.08651 -210.41328 496.19205
6605.0000 -215.01368 -208.88112 6.13256 2.14962 -209.19328 550.53949
6610.0000 -215.24581 -210.22992 5.01589 2.15523 -209.08489 541.69811
6615.0000 -215.74854 -211.00765 4.74088 2.05966 -210.93238 470.96993
6620.0000 -214.74167 -208.90366 5.83800 2.10143 -210.12493 501.36440
6625.0000 -214.51215 -209.36685 5.14530 2.15025 -209.18110 544.89309
6630.0000 -215.58025 -209.85464 5.72561 2.13051 -209.56267 539.69382
6635.0000 -215.17573 -209.51690 5.65883 2.12167 -209.73370 525.12849
6640.0000 -215.36992 -209.58384 5.78607 2.09846 -210.18240 525.04672
6645.0000 -215.77960 -210.71049 5.06911 2.09508 -210.24773 522.19372
6650.0000 -215.85419 -210.84140 5.01279 2.08898 -210.36564 520.82002
6655.0000 -215.87966 -210.71545 5.16422 2.07420 -210.65138 495.37033
6660.0000 -216.47379 -211.60561 4.86818 2.05149 -211.09039 473.17558
6665.0000 -215.13287 -210.55826 4.57461 2.07717 -210.59397 482.46740
6670.0000 -216.37282 -211.17193 5.20089 2.07471 -210.64157 493.06176
6675.0000 -215.65149 -210.36613 5.28536 2.07740 -210.58956 493.95949
6680.0000 -215.41694 -209.84171 5.57523 2.10752 -210.00726 510.27025
6685.0000 -215.24352 -209.89269 5.35083 2.11322 -209.89698 519.50245
6690.0000 -215.98337 -210.11821 5.86517 2.10644 -210.02808 507.31368
6695.0000 -215.20022 -209.81014 5.39008 2.11826 -209.79964 514.75706
6700.0000 -215.38709 -209.10731 6.27979 2.12321 -209.70383 524.21360
6705.0000 -215.88068 -210.85846 5.02222 2.12928 -209.58643 537.85050
6710.0000 -216.87021 -212.13528 4.73493 2.03209 -211.46547 469.81082
6715.0000 -216.50928 -211.62293 4.88635 2.02147 -211.67068 456.38554
6720.0000 -215.30811 -210.04110 5.26701 2.06186 -210.88981 485.82567
6725.0000 -215.66767 -210.38537 5.28230 2.07573 -210.62179 511.54175
6730.0000 -217.31298 -212.02265 5.29033 2.06421 -210.84445 498.74948
6735.0000 -216.60254 -211.25186 5.35068 2.00752 -211.94037 466.24610
6740.0000 -216.34482 -211.48768 4.85714 2.04002 -211.31211 483.48558
6745.0000 -216.63994 -210.62411 6.01583 2.03993 -211.31386 486.91423
6750.0000 -216.75145 -211.54619 5.20526 2.07220 -210.68995 507.34827
FREEZING PROCESS: loop number 28 T-loop= 480.00000000000000
main_MD> interactions number 28 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.87210 1.34579 0.24360
force_rgl> df(natom) -2.29930 -1.09861 -1.07008
6755.0000 -216.18722 -211.72487 4.46235 2.01537 -211.78873 465.49245
6760.0000 -215.96184 -210.81198 5.14986 2.05073 -211.10506 472.71129
6765.0000 -217.30592 -211.92050 5.38542 2.05672 -210.98932 479.66940
6770.0000 -216.39442 -210.38857 6.00585 2.04462 -211.22318 486.60318
6775.0000 -216.00474 -210.98487 5.01987 2.06435 -210.84185 481.47722
6780.0000 -216.41181 -211.70915 4.70266 2.03321 -211.44375 437.35493
6785.0000 -217.00823 -212.14725 4.86098 2.02581 -211.58690 452.48197
6790.0000 -216.06044 -210.44275 5.61768 2.04006 -211.31131 469.64698
6795.0000 -216.47156 -210.94017 5.53139 2.07190 -210.69580 497.24922
6800.0000 -215.75639 -210.64182 5.11457 2.06636 -210.80288 482.70558
6805.0000 -216.98265 -211.79263 5.19002 2.08424 -210.45722 505.75752
6810.0000 -216.19205 -210.40394 5.78811 2.05801 -210.96432 478.27740
6815.0000 -217.71584 -212.51895 5.19689 2.02597 -211.58366 467.78890
6820.0000 -216.35598 -212.06337 4.29261 1.97422 -212.58407 426.94928
6825.0000 -216.95682 -212.06843 4.88839 2.00040 -212.07803 440.13233
6830.0000 -216.14802 -210.32261 5.82541 2.04429 -211.22951 476.18543
6835.0000 -216.12310 -209.76238 6.36072 2.11274 -209.90632 526.84350
6840.0000 -215.96019 -210.95529 5.00490 2.11268 -209.90749 523.47699
6845.0000 -215.79024 -211.18569 4.60455 2.06924 -210.74726 490.06196
6850.0000 -216.05979 -210.78104 5.27875 2.07659 -210.60504 505.84159
6855.0000 -216.90665 -211.55620 5.35045 2.03575 -211.39475 485.50963
6860.0000 -216.13322 -211.36866 4.76455 2.03265 -211.45454 477.69944
6865.0000 -216.68087 -211.01904 5.66183 2.05135 -211.09305 475.56626
6870.0000 -215.73790 -210.28176 5.45614 2.06800 -210.77118 476.64874
6875.0000 -215.44648 -209.70918 5.73730 2.08998 -210.34631 489.30808
6880.0000 -215.39717 -209.78116 5.61601 2.11610 -209.84134 499.59448
6885.0000 -215.94553 -210.32119 5.62435 2.12621 -209.64583 524.56394
6890.0000 -215.94711 -211.36292 4.58419 2.07524 -210.63121 478.73021
6895.0000 -215.55565 -210.23177 5.32388 2.06841 -210.76317 463.91007
6900.0000 -215.31157 -210.37116 4.94042 2.08748 -210.39458 487.80503
6905.0000 -216.66560 -211.26731 5.39829 2.07162 -210.70115 484.47468
6910.0000 -216.65053 -210.38759 6.26295 2.07096 -210.71392 492.28127
6915.0000 -217.12178 -212.03031 5.09146 2.06375 -210.85345 494.16348
6920.0000 -216.32796 -210.88537 5.44258 2.04528 -211.21049 479.10576
6925.0000 -216.11065 -210.28822 5.82243 2.07840 -210.57015 505.67205
6930.0000 -216.25349 -210.07540 6.17809 2.11101 -209.93962 522.80780
6935.0000 -216.26055 -210.86298 5.39758 2.09239 -210.29972 509.78903
6940.0000 -216.26747 -211.05598 5.21149 2.08919 -210.36156 516.11033
6945.0000 -215.83464 -209.99829 5.83635 2.09940 -210.16419 512.73945
6950.0000 -216.23032 -210.19957 6.03075 2.10382 -210.07875 529.02191
6955.0000 -216.21111 -211.20373 5.00738 2.06848 -210.76196 508.15560
6960.0000 -216.58598 -211.09039 5.49559 2.02790 -211.54644 464.41560
6965.0000 -216.36702 -211.20858 5.15845 2.07598 -210.61701 493.55350
6970.0000 -215.98111 -210.80755 5.17356 2.06210 -210.88520 478.01945
6975.0000 -215.41565 -209.78940 5.62624 2.06986 -210.73523 495.90380
6980.0000 -215.30508 -210.16224 5.14284 2.09083 -210.32991 497.28499
6985.0000 -215.61958 -209.86834 5.75124 2.09361 -210.27608 514.73136
6990.0000 -215.50364 -211.15480 4.34884 2.05764 -210.97150 492.60962
6995.0000 -217.06853 -211.77331 5.29523 2.02643 -211.57480 471.71309
7000.0000 -216.76023 -211.44860 5.31162 2.03345 -211.43905 475.12260
FREEZING PROCESS: loop number 29 T-loop= 455.00000000000000
main_MD> interactions number 29 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44368 0.82260 1.12100
force_rgl> df(natom) 2.10842 1.29742 -1.68644
7005.0000 -216.46270 -210.77288 5.68982 2.08275 -210.48595 515.91611
7010.0000 -216.32531 -211.31716 5.00814 2.02884 -211.52820 462.00829
7015.0000 -217.28114 -212.67137 4.60977 2.00468 -211.99527 438.36290
7020.0000 -217.05781 -212.66484 4.39297 1.95129 -213.02746 402.04322
7025.0000 -217.22210 -212.31444 4.90767 1.99704 -212.14291 436.49313
7030.0000 -217.70195 -212.04382 5.65813 1.98805 -212.31675 451.96172
7035.0000 -216.86580 -212.21078 4.65502 2.00521 -211.98509 465.37418
7040.0000 -217.08662 -212.01993 5.06669 2.02025 -211.69426 462.80093
7045.0000 -216.70186 -212.08763 4.61423 2.00202 -212.04679 458.79514
7050.0000 -216.10884 -211.38061 4.72823 2.01843 -211.72941 474.24831
7055.0000 -216.98995 -211.94384 5.04611 2.04422 -211.23095 487.96503
7060.0000 -216.91468 -212.51962 4.39506 1.97572 -212.55523 439.39036
7065.0000 -216.80501 -211.68234 5.12266 1.99452 -212.19169 456.12340
7070.0000 -216.02955 -211.57629 4.45326 2.01449 -211.80562 463.60125
7075.0000 -217.12310 -212.10733 5.01577 2.02494 -211.60357 473.08106
7080.0000 -216.59160 -211.43951 5.15209 2.01269 -211.84038 460.82004
7085.0000 -217.58770 -212.54078 5.04691 2.00906 -211.91056 455.82518
7090.0000 -218.04854 -213.16955 4.87899 1.96923 -212.68068 433.94311
7095.0000 -216.99359 -211.96092 5.03267 1.96437 -212.77467 434.78774
7100.0000 -216.77555 -212.08220 4.69335 2.00582 -211.97323 468.23204
7105.0000 -215.91131 -212.18283 3.72848 2.00361 -212.01603 443.65889
7110.0000 -217.41487 -212.05679 5.35807 2.01265 -211.84132 452.18436
7115.0000 -217.05162 -211.26775 5.78388 2.01929 -211.71283 481.34772
7120.0000 -217.29366 -211.46321 5.83045 2.02029 -211.69352 491.22638
7125.0000 -217.11113 -211.75727 5.35386 2.03032 -211.49961 495.05932
7130.0000 -217.72477 -212.06391 5.66086 2.01057 -211.88134 477.30143
7135.0000 -215.68432 -211.02566 4.65867 2.02645 -211.57441 480.76209
7140.0000 -216.78548 -212.25370 4.53178 2.01513 -211.79335 470.76638
7145.0000 -217.45680 -212.30375 5.15305 1.99979 -212.08988 463.22818
7150.0000 -217.21613 -211.99095 5.22519 1.99818 -212.12103 470.59608
7155.0000 -216.83425 -211.91166 4.92259 2.01066 -211.87972 474.21872
7160.0000 -217.51763 -212.20705 5.31058 2.00981 -211.89615 474.07400
7165.0000 -217.36324 -212.20368 5.15956 1.98461 -212.38336 445.31310
7170.0000 -218.02827 -212.76536 5.26291 1.98339 -212.40694 435.21484
7175.0000 -216.81183 -211.14570 5.66613 2.01515 -211.79285 466.79977
7180.0000 -215.81580 -210.65472 5.16108 2.04522 -211.21154 480.50360
7185.0000 -216.84193 -211.50069 5.34124 2.03063 -211.49364 471.29509
7190.0000 -216.45916 -211.58470 4.87446 2.01147 -211.86402 462.07448
7195.0000 -217.03726 -211.16906 5.86820 2.04332 -211.24832 493.18487
7200.0000 -217.35864 -212.50613 4.85251 2.00773 -211.93635 457.15206
7205.0000 -216.66198 -212.41618 4.24580 1.98192 -212.43538 442.25983
7210.0000 -217.15034 -212.97157 4.17877 1.97971 -212.47803 429.18991
7215.0000 -216.04301 -210.95757 5.08544 2.02262 -211.64857 462.45204
7220.0000 -217.07803 -211.73493 5.34310 2.03654 -211.37930 475.43402
7225.0000 -216.60638 -211.59354 5.01284 2.04405 -211.23424 467.38478
7230.0000 -216.98286 -212.23304 4.74981 2.01915 -211.71547 460.70881
7235.0000 -217.00284 -211.89462 5.10822 2.00901 -211.91151 444.36538
7240.0000 -217.03389 -211.06763 5.96626 2.00502 -211.98877 462.82440
7245.0000 -216.86400 -211.07418 5.78982 2.03178 -211.47134 496.04198
7250.0000 -216.65026 -210.99864 5.65162 2.03133 -211.48013 482.37925
FREEZING PROCESS: loop number 30 T-loop= 430.00000000000000
main_MD> interactions number 30 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.56162 2.23961 -2.85480
force_rgl> df(natom) -1.93277 0.99452 0.68093
7255.0000 -216.32403 -212.21071 4.11331 2.02076 -211.68445 470.05715
7260.0000 -216.94147 -211.37701 5.56446 2.03319 -211.44421 481.95739
7265.0000 -216.79821 -211.51791 5.28030 2.01243 -211.84551 477.08725
7270.0000 -217.48271 -212.67507 4.80764 1.97515 -212.56617 448.62799
7275.0000 -217.24331 -213.19220 4.05111 1.94236 -213.20010 419.17840
7280.0000 -217.74931 -212.64212 5.10719 1.96312 -212.79871 431.53806
7285.0000 -217.76063 -212.80247 4.95816 1.95872 -212.88385 432.41113
7290.0000 -216.79788 -212.31121 4.48666 1.99102 -212.25934 458.02204
7295.0000 -217.25408 -212.59586 4.65822 1.98516 -212.37275 452.28420
7300.0000 -217.64059 -212.78516 4.85543 1.95635 -212.92959 430.91705
7305.0000 -217.21691 -212.41981 4.79711 1.95113 -213.03061 429.83412
7310.0000 -217.36600 -213.23742 4.12858 1.95332 -212.98819 422.29247
7315.0000 -217.95001 -213.23068 4.71933 1.94742 -213.10226 410.81322
7320.0000 -218.25028 -213.69954 4.55074 1.93266 -213.38751 395.56594
7325.0000 -217.71829 -213.20919 4.50910 1.95879 -212.88254 417.62058
7330.0000 -218.18407 -213.57830 4.60577 1.92271 -213.57993 399.83444
7335.0000 -217.29183 -213.15025 4.14158 1.95129 -213.02739 428.22573
7340.0000 -218.32766 -213.56788 4.75978 1.94722 -213.10608 422.13415
7345.0000 -217.58859 -213.55573 4.03285 1.91652 -213.69955 389.17692
7350.0000 -217.79079 -212.54952 5.24127 1.94846 -213.08214 409.89924
7355.0000 -217.42584 -213.10529 4.32055 1.95667 -212.92338 426.53390
7360.0000 -217.30620 -212.30593 5.00027 1.96789 -212.70658 434.78271
7365.0000 -216.83568 -211.77802 5.05766 1.99611 -212.16090 453.36478
7370.0000 -217.85131 -212.93918 4.91213 1.97806 -212.50987 432.60892
7375.0000 -216.97921 -211.76529 5.21392 1.97439 -212.58090 433.05907
7380.0000 -217.10309 -212.26499 4.83810 1.95947 -212.86932 419.67102
7385.0000 -216.97808 -212.19790 4.78018 2.00051 -212.07586 441.27061
7390.0000 -218.17870 -212.77652 5.40219 1.95933 -212.87204 412.89953
7395.0000 -217.83864 -212.95176 4.88688 1.95754 -212.90663 407.83121
7400.0000 -217.50651 -213.38069 4.12582 1.96904 -212.68426 417.03291
7405.0000 -217.53288 -212.68223 4.85065 1.95628 -212.93105 412.24770
7410.0000 -217.31076 -213.10453 4.20623 1.95218 -213.01020 410.17027
7415.0000 -217.57137 -212.93741 4.63396 1.93795 -213.28528 404.66481
7420.0000 -217.04620 -212.49383 4.55237 1.97884 -212.49481 442.12804
7425.0000 -217.12251 -212.73910 4.38340 1.98538 -212.36836 440.20181
7430.0000 -217.47410 -212.88542 4.58868 1.97061 -212.65394 431.28882
7435.0000 -217.90416 -213.82793 4.07622 1.93131 -213.41372 404.49611
7440.0000 -216.60051 -212.25688 4.34363 1.95119 -213.02937 405.32997
7445.0000 -217.25769 -213.07165 4.18603 1.95101 -213.03283 406.87030
7450.0000 -216.75445 -212.38752 4.36693 1.97544 -212.56059 423.99715
7455.0000 -216.64441 -212.04944 4.59497 1.96895 -212.68597 415.41464
7460.0000 -218.40558 -213.75835 4.64722 1.96119 -212.83597 414.31334
7465.0000 -216.64440 -212.05995 4.58446 1.95809 -212.89591 412.30877
7470.0000 -217.96830 -213.27577 4.69252 1.94228 -213.20170 398.46212
7475.0000 -217.46224 -212.94343 4.51880 1.93871 -213.27063 398.33199
7480.0000 -217.49644 -212.56006 4.93638 1.97844 -212.50256 443.00299
7485.0000 -218.45753 -213.79082 4.66671 1.92090 -213.61495 410.78947
7490.0000 -218.69692 -214.23272 4.46420 1.90997 -213.82629 405.68659
7495.0000 -217.59624 -213.49772 4.09852 1.90536 -213.91542 399.94593
7500.0000 -218.27018 -212.33889 5.93129 1.94513 -213.14645 430.49887
FREEZING PROCESS: loop number 31 T-loop= 405.00000000000000
main_MD> interactions number 31 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08757 1.72492 -0.43652
force_rgl> df(natom) 0.80981 -1.57624 -0.05252
7505.0000 -217.81677 -213.84791 3.96886 1.94619 -213.12611 425.98395
7510.0000 -218.37194 -213.77742 4.59452 1.89200 -214.17369 382.87766
7515.0000 -217.83090 -213.37273 4.45817 1.95188 -213.01601 423.31065
7520.0000 -218.30332 -213.45196 4.85135 1.95407 -212.97378 435.30400
7525.0000 -217.18096 -212.99068 4.19028 1.93177 -213.40481 419.86958
7530.0000 -217.86711 -212.72011 5.14700 1.95948 -212.86908 437.71103
7535.0000 -218.06173 -212.93660 5.12512 1.94659 -213.11832 424.03214
7540.0000 -217.92584 -213.78683 4.13900 1.95257 -213.00279 430.89414
7545.0000 -217.95787 -213.41611 4.54176 1.92212 -213.59130 404.68793
7550.0000 -217.96563 -213.91709 4.04854 1.93615 -213.32020 406.68363
7555.0000 -218.31011 -213.93456 4.37555 1.91933 -213.64536 389.65428
7560.0000 -217.96165 -213.71485 4.24680 1.92425 -213.55019 394.20458
7565.0000 -217.80447 -213.64613 4.15834 1.93271 -213.38654 397.04225
7570.0000 -218.11945 -213.64360 4.47585 1.92026 -213.62725 386.91527
7575.0000 -218.17378 -213.85504 4.31875 1.91097 -213.80689 393.63243
7580.0000 -217.62986 -213.38287 4.24699 1.92744 -213.48860 404.63561
7585.0000 -218.09279 -214.00329 4.08950 1.90084 -214.00277 386.86593
7590.0000 -218.03782 -214.01736 4.02046 1.89911 -214.03616 383.42170
7595.0000 -218.09604 -214.15837 3.93767 1.91751 -213.68047 395.34534
7600.0000 -217.59928 -213.45808 4.14120 1.91806 -213.66983 397.61890
7605.0000 -218.10820 -213.37152 4.73668 1.93172 -213.40570 414.97257
7610.0000 -217.30953 -212.85117 4.45835 1.93510 -213.34040 413.41253
7615.0000 -218.69288 -214.19885 4.49403 1.92002 -213.63202 403.89555
7620.0000 -218.03305 -214.02387 4.00918 1.91480 -213.73280 398.59441
7625.0000 -217.89811 -213.03280 4.86531 1.91537 -213.72182 396.95287
7630.0000 -217.49930 -213.42199 4.07730 1.93265 -213.38785 411.18290
7635.0000 -217.82040 -212.97930 4.84109 1.91360 -213.75603 396.17196
7640.0000 -217.56057 -212.29472 5.26585 1.94240 -213.19939 418.25975
7645.0000 -217.28396 -213.02655 4.25741 1.94345 -213.17902 416.18360
7650.0000 -218.61981 -214.27647 4.34334 1.90117 -213.99641 387.31220
7655.0000 -217.83410 -213.37383 4.46027 1.91336 -213.76071 397.07421
7660.0000 -217.80464 -213.47525 4.32939 1.92558 -213.52444 398.63286
7665.0000 -217.85420 -213.16990 4.68430 1.91921 -213.64771 394.67419
7670.0000 -218.55037 -214.28547 4.26490 1.90011 -214.01687 383.67814
7675.0000 -218.46852 -214.07567 4.39285 1.91600 -213.70961 399.09619
7680.0000 -218.31672 -213.88068 4.43604 1.89815 -214.05481 386.07633
7685.0000 -217.56227 -213.27147 4.29080 1.91919 -213.64810 394.78153
7690.0000 -218.11168 -213.92824 4.18344 1.94380 -213.17228 416.28362
7695.0000 -218.66644 -214.13387 4.53257 1.89733 -214.07067 382.66810
7700.0000 -217.85105 -213.56306 4.28799 1.91341 -213.75971 392.66298
7705.0000 -217.67288 -212.53543 5.13745 1.96496 -212.76313 435.05242
7710.0000 -217.58939 -213.03849 4.55091 1.95290 -212.99629 427.19593
7715.0000 -218.03102 -213.82044 4.21057 1.91774 -213.67603 397.00810
7720.0000 -218.63261 -214.37764 4.25498 1.90195 -213.98130 388.40936
7725.0000 -218.25753 -213.51819 4.73935 1.86550 -214.68591 352.60684
7730.0000 -217.67569 -213.49604 4.17965 1.93021 -213.43494 405.75614
7735.0000 -217.76662 -213.34615 4.42046 1.93398 -213.36201 416.24908
7740.0000 -217.59762 -213.08026 4.51737 1.96074 -212.84466 419.24328
7745.0000 -217.65097 -213.50904 4.14193 1.93577 -213.32739 397.44324
7750.0000 -218.13080 -213.69164 4.43916 1.93548 -213.33313 393.05113
FREEZING PROCESS: loop number 32 T-loop= 380.00000000000000
main_MD> interactions number 32 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36856 -2.06349 -1.55531
force_rgl> df(natom) -0.69701 2.48262 -0.22077
7755.0000 -218.26495 -213.40657 4.85839 1.91921 -213.64769 386.13411
7760.0000 -217.65302 -213.07450 4.57852 1.93517 -213.33909 400.23909
7765.0000 -217.00276 -212.74344 4.25932 1.94590 -213.13158 411.33735
7770.0000 -217.35890 -213.33991 4.01899 1.95344 -212.98596 416.35139
7775.0000 -217.82539 -213.26679 4.55859 1.92875 -213.46314 398.03070
7780.0000 -218.03327 -213.81642 4.21684 1.91677 -213.69487 388.72002
7785.0000 -218.14000 -213.97045 4.16955 1.90137 -213.99243 376.23215
7790.0000 -218.45470 -214.33576 4.11893 1.87986 -214.40830 359.36386
7795.0000 -218.14754 -213.94289 4.20464 1.90809 -213.86262 384.51000
7800.0000 -218.06339 -214.71098 3.35241 1.89411 -214.13292 370.82087
7805.0000 -217.68064 -213.77913 3.90151 1.89832 -214.05143 372.53657
7810.0000 -217.85062 -213.47374 4.37688 1.91948 -213.64233 383.88335
7815.0000 -218.65902 -214.38474 4.27429 1.89110 -214.19110 368.41914
7820.0000 -218.01443 -214.28152 3.73291 1.89156 -214.18208 366.20543
7825.0000 -218.52112 -214.39683 4.12429 1.89525 -214.11078 366.22313
7830.0000 -218.35258 -214.46593 3.88665 1.89690 -214.07894 368.14816
7835.0000 -218.53747 -214.38200 4.15548 1.86779 -214.64173 344.68092
7840.0000 -218.94980 -215.42090 3.52890 1.86844 -214.62919 349.69283
7845.0000 -217.84355 -213.96770 3.87585 1.87378 -214.52581 356.47193
7850.0000 -217.87474 -213.23916 4.63558 1.94386 -213.17107 406.85270
7855.0000 -217.00757 -212.85795 4.14962 1.93342 -213.37295 394.87398
7860.0000 -217.18606 -212.81476 4.37130 1.95884 -212.88156 412.85213
7865.0000 -217.73804 -213.42666 4.31138 1.94487 -213.15151 405.53681
7870.0000 -218.29611 -213.99158 4.30453 1.91343 -213.75930 379.57608
7875.0000 -218.32272 -214.74879 3.57393 1.88688 -214.27255 364.98185
7880.0000 -218.58963 -214.90968 3.67994 1.85868 -214.81770 338.24360
7885.0000 -218.37277 -214.49825 3.87452 1.86165 -214.76044 342.25813
7890.0000 -218.35114 -214.13688 4.21426 1.88207 -214.36570 353.39092
7895.0000 -217.85662 -214.14805 3.70858 1.88641 -214.28167 363.85023
7900.0000 -218.47085 -214.47685 3.99400 1.89045 -214.20362 361.51666
7905.0000 -218.36923 -214.09405 4.27519 1.89132 -214.18685 368.33555
7910.0000 -218.33543 -214.17828 4.15715 1.88517 -214.30563 364.06753
7915.0000 -218.07388 -214.12164 3.95224 1.90089 -214.00171 374.42483
7920.0000 -217.73799 -214.14532 3.59267 1.89008 -214.21077 360.10215
7925.0000 -217.81182 -214.28158 3.53023 1.89404 -214.13424 366.81511
7930.0000 -217.92513 -213.80416 4.12097 1.88263 -214.35476 359.12009
7935.0000 -217.85700 -213.63386 4.22314 1.90579 -213.90711 376.26370
7940.0000 -218.21638 -214.06877 4.14760 1.92054 -213.62194 381.71329
7945.0000 -218.09067 -213.62219 4.46848 1.87912 -214.42258 357.01766
7950.0000 -217.70499 -213.11746 4.58753 1.93228 -213.39499 396.94079
7955.0000 -218.29622 -213.97818 4.31804 1.92306 -213.57326 396.84006
7960.0000 -218.09630 -213.79895 4.29736 1.89877 -214.04280 378.65147
7965.0000 -217.46388 -213.78354 3.68034 1.93126 -213.41468 396.30698
7970.0000 -218.51373 -214.50399 4.00974 1.89292 -214.15592 367.20500
7975.0000 -218.49178 -214.66356 3.82822 1.86851 -214.62775 352.63203
7980.0000 -217.34234 -213.45845 3.88390 1.90165 -213.98705 381.22143
7985.0000 -218.14195 -213.78878 4.35317 1.90945 -213.83632 389.85501
7990.0000 -218.36406 -213.97894 4.38511 1.89827 -214.05238 378.94322
7995.0000 -218.12068 -214.36993 3.75075 1.89507 -214.11432 378.65811
8000.0000 -218.04968 -214.00385 4.04583 1.88259 -214.35552 369.20967
FREEZING PROCESS: loop number 33 T-loop= 355.00000000000000
main_MD> interactions number 33 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49921 -1.83823 -0.07922
force_rgl> df(natom) 2.57108 2.22219 -1.02746
8005.0000 -218.54632 -214.72493 3.82139 1.89926 -214.03336 379.25083
8010.0000 -218.60600 -214.88740 3.71860 1.84282 -215.12440 336.28935
8015.0000 -219.00498 -215.74865 3.25633 1.84957 -214.99395 343.69512
8020.0000 -218.30633 -214.87116 3.43517 1.84691 -215.04534 339.82739
8025.0000 -218.80461 -215.11092 3.69369 1.85338 -214.92020 341.07379
8030.0000 -218.77635 -215.00162 3.77473 1.85740 -214.84246 347.86202
8035.0000 -219.07604 -215.57318 3.50286 1.83483 -215.27880 330.28550
8040.0000 -218.78711 -214.69620 4.09091 1.82456 -215.47746 318.55249
8045.0000 -217.80331 -214.24043 3.56288 1.89483 -214.11894 371.07658
8050.0000 -218.47882 -214.62408 3.85474 1.88477 -214.31345 368.60861
8055.0000 -218.52199 -214.60520 3.91678 1.86411 -214.71288 353.41222
8060.0000 -218.82482 -215.03523 3.78960 1.84778 -215.02844 337.33617
8065.0000 -218.86700 -214.92436 3.94265 1.84520 -215.07842 333.07785
8070.0000 -218.45448 -214.40903 4.04545 1.86679 -214.66091 354.36579
8075.0000 -217.77398 -214.20904 3.56493 1.89463 -214.12272 370.51911
8080.0000 -218.76017 -214.55452 4.20565 1.89439 -214.12744 376.33235
8085.0000 -218.26167 -214.54233 3.71934 1.86630 -214.67057 353.77170
8090.0000 -219.30929 -215.98390 3.32540 1.82123 -215.54172 314.88279
8095.0000 -219.22206 -215.55971 3.66234 1.81116 -215.73638 308.64036
8100.0000 -218.54741 -214.59661 3.95080 1.85027 -214.98035 345.78165
8105.0000 -218.55403 -214.79167 3.76236 1.87645 -214.47426 361.85618
8110.0000 -218.25829 -214.55974 3.69855 1.84512 -215.08001 335.92847
8115.0000 -218.71251 -215.21465 3.49786 1.84459 -215.09020 337.98923
8120.0000 -219.24610 -215.47997 3.76613 1.83036 -215.36526 323.99898
8125.0000 -218.35438 -215.01281 3.34158 1.83385 -215.29786 325.09523
8130.0000 -218.61257 -214.82416 3.78841 1.85604 -214.86891 346.23946
8135.0000 -218.73243 -215.07530 3.65713 1.85307 -214.92632 343.01537
8140.0000 -218.55129 -214.48018 4.07111 1.86843 -214.62940 357.50721
8145.0000 -218.16600 -213.95287 4.21313 1.89546 -214.10670 378.18999
8150.0000 -218.55130 -214.48255 4.06874 1.89822 -214.05340 379.27856
8155.0000 -217.87277 -214.34111 3.53166 1.90322 -213.95677 386.16306
8160.0000 -218.21402 -213.91979 4.29422 1.87600 -214.48290 360.23917
8165.0000 -218.50702 -214.75124 3.75578 1.89816 -214.05463 383.21276
8170.0000 -218.23517 -214.32239 3.91278 1.87800 -214.44439 363.75203
8175.0000 -218.66707 -213.71560 4.95147 1.88794 -214.25222 372.23433
8180.0000 -218.04382 -213.79858 4.24524 1.90542 -213.91421 387.21405
8185.0000 -218.88352 -214.95921 3.92431 1.87717 -214.46035 361.92512
8190.0000 -218.81979 -215.85628 2.96351 1.81991 -215.56721 317.58768
8195.0000 -218.74951 -214.85844 3.89107 1.84337 -215.11368 334.91621
8200.0000 -218.50342 -215.05412 3.44930 1.84667 -215.04993 340.76966
8205.0000 -218.24061 -214.60278 3.63783 1.85282 -214.93098 344.97725
8210.0000 -219.23822 -215.48911 3.74911 1.84887 -215.00738 341.35354
8215.0000 -218.97904 -214.68480 4.29423 1.84437 -215.09447 340.88422
8220.0000 -218.24203 -214.00981 4.23223 1.88024 -214.40097 366.45285
8225.0000 -218.11957 -214.45172 3.66785 1.91296 -213.76844 391.29709
8230.0000 -219.22250 -214.81927 4.40323 1.86996 -214.59972 362.54375
8235.0000 -218.74376 -215.19640 3.54736 1.86289 -214.73633 347.63457
8240.0000 -218.27513 -214.68737 3.58776 1.85475 -214.89373 342.79816
8245.0000 -218.00655 -213.75506 4.25149 1.88419 -214.32456 364.95104
8250.0000 -218.70987 -214.43988 4.26999 1.88173 -214.37222 365.35654
FREEZING PROCESS: loop number 34 T-loop= 330.00000000000000
main_MD> interactions number 34 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.98475 0.94002 1.30972
force_rgl> df(natom) -1.90637 -0.68615 1.70878
8255.0000 -218.94685 -215.64971 3.29714 1.84427 -215.09643 334.02302
8260.0000 -218.77726 -215.23030 3.54695 1.81246 -215.71124 311.14218
8265.0000 -218.83687 -215.61400 3.22288 1.82739 -215.42267 326.86052
8270.0000 -219.28425 -215.71764 3.56661 1.80896 -215.77908 304.19986
8275.0000 -218.57068 -215.08689 3.48379 1.81840 -215.59655 313.68522
8280.0000 -219.03242 -215.77436 3.25806 1.83682 -215.24040 329.22192
8285.0000 -218.68466 -214.67554 4.00913 1.84289 -215.12313 332.52479
8290.0000 -218.34500 -214.44233 3.90267 1.86326 -214.72934 351.93211
8295.0000 -218.58180 -214.17002 4.41178 1.86222 -214.74929 355.64634
8300.0000 -218.99191 -215.30381 3.68810 1.87142 -214.57151 357.12615
8305.0000 -218.84036 -214.70683 4.13353 1.84865 -215.01166 340.94003
8310.0000 -219.21293 -215.37536 3.83757 1.84391 -215.10341 338.06035
8315.0000 -218.84775 -215.18848 3.65927 1.84962 -214.99286 342.28670
8320.0000 -218.81501 -214.94694 3.86807 1.85961 -214.79987 352.76076
8325.0000 -218.50144 -214.85228 3.64916 1.86159 -214.76155 353.43397
8330.0000 -218.99955 -215.08083 3.91872 1.85263 -214.93479 345.69026
8335.0000 -218.99475 -214.95273 4.04203 1.84059 -215.16746 337.92929
8340.0000 -219.08159 -215.59796 3.48363 1.83313 -215.31179 331.53407
8345.0000 -218.75017 -214.90563 3.84454 1.83128 -215.34756 329.79523
8350.0000 -218.75758 -214.78293 3.97465 1.84435 -215.09476 337.12113
8355.0000 -218.09190 -214.30722 3.78468 1.86589 -214.67833 354.46389
8360.0000 -219.00971 -215.22486 3.78485 1.87324 -214.53635 360.94764
8365.0000 -218.31122 -214.93587 3.37534 1.85285 -214.93048 346.08718
8370.0000 -219.05857 -215.34854 3.71003 1.84374 -215.10657 340.00493
8375.0000 -218.65365 -215.38821 3.26544 1.82916 -215.38847 328.04173
8380.0000 -219.36490 -216.21275 3.15214 1.81919 -215.58119 318.84038
8385.0000 -219.14257 -215.51549 3.62709 1.81648 -215.63353 316.26291
8390.0000 -218.85583 -214.92618 3.92965 1.83201 -215.33346 328.24701
8395.0000 -219.01390 -215.73634 3.27756 1.84068 -215.16571 336.00742
8400.0000 -219.39521 -215.74152 3.65369 1.81507 -215.66081 314.35079
8405.0000 -218.74404 -215.89929 2.84474 1.81007 -215.75744 309.97233
8410.0000 -219.69397 -216.29148 3.40249 1.79408 -216.06663 297.41375
8415.0000 -219.01388 -215.68355 3.33033 1.80237 -215.90632 306.01752
8420.0000 -218.46858 -215.00766 3.46092 1.82238 -215.51962 318.55209
8425.0000 -218.93257 -215.20886 3.72371 1.83399 -215.29501 328.19329
8430.0000 -219.09952 -215.56630 3.53322 1.84095 -215.16056 333.39904
8435.0000 -219.49836 -215.75824 3.74012 1.81504 -215.66146 314.10332
8440.0000 -218.89069 -215.36200 3.52869 1.82640 -215.44180 321.99770
8445.0000 -219.05598 -215.56828 3.48770 1.83476 -215.28016 331.33841
8450.0000 -219.08761 -216.27622 2.81139 1.80181 -215.91729 301.60697
8455.0000 -219.47408 -216.23449 3.23959 1.79765 -215.99758 295.05746
8460.0000 -218.57505 -215.23405 3.34100 1.80442 -215.86676 306.12964
8465.0000 -218.60948 -214.86086 3.74862 1.84866 -215.01158 335.43224
8470.0000 -219.14561 -215.30157 3.84404 1.85659 -214.85818 348.31082
8475.0000 -219.06639 -215.80156 3.26483 1.80933 -215.77178 312.46722
8480.0000 -218.59645 -214.60091 3.99555 1.81889 -215.58709 317.85915
8485.0000 -218.46044 -214.83932 3.62112 1.85456 -214.89740 345.98513
8490.0000 -218.79783 -214.75512 4.04271 1.85073 -214.97143 341.48435
8495.0000 -218.98251 -215.28743 3.69507 1.85233 -214.94060 344.90729
8500.0000 -219.44117 -215.52518 3.91599 1.84054 -215.16845 339.13248
FREEZING PROCESS: loop number 35 T-loop= 305.00000000000000
main_MD> interactions number 35 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25531 3.32826 -1.51357
force_rgl> df(natom) 0.20520 -2.22987 -0.26517
8505.0000 -219.67925 -216.30409 3.37515 1.80071 -215.93841 299.89852
8510.0000 -219.39335 -216.36322 3.03012 1.78994 -216.14663 291.81310
8515.0000 -218.98957 -216.31331 2.67626 1.79384 -216.07123 296.04730
8520.0000 -219.54240 -216.58937 2.95303 1.77715 -216.39387 282.35778
8525.0000 -219.12367 -215.93599 3.18767 1.78982 -216.14897 288.82985
8530.0000 -220.06991 -216.82057 3.24933 1.79037 -216.13832 289.63622
8535.0000 -219.31400 -216.30845 3.00555 1.77422 -216.45065 281.66893
8540.0000 -219.04473 -215.54211 3.50261 1.79049 -216.13611 293.81512
8545.0000 -219.05864 -216.06996 2.98868 1.80527 -215.85029 306.55359
8550.0000 -218.77016 -216.03911 2.73105 1.78632 -216.21659 288.81804
8555.0000 -219.08533 -215.98874 3.09659 1.80007 -215.95084 300.18063
8560.0000 -219.61251 -216.45000 3.16252 1.77714 -216.39406 279.01733
8565.0000 -219.20329 -216.02125 3.18205 1.78901 -216.16467 294.88862
8570.0000 -219.18645 -216.03029 3.15616 1.80448 -215.86559 307.52571
8575.0000 -219.34385 -215.85702 3.48683 1.79896 -215.97229 303.56051
8580.0000 -218.76931 -215.48592 3.28339 1.81940 -215.57711 311.29065
8585.0000 -219.04089 -216.06168 2.97921 1.80808 -215.79609 301.58633
8590.0000 -219.54697 -216.57106 2.97591 1.79750 -216.00061 297.62389
8595.0000 -219.81037 -216.67150 3.13887 1.76948 -216.54226 283.34334
8600.0000 -219.57505 -215.51280 4.06225 1.79117 -216.12283 301.67017
8605.0000 -219.70774 -216.77842 2.92932 1.78578 -216.22709 300.14032
8610.0000 -219.73436 -216.89282 2.84155 1.76589 -216.61165 278.41106
8615.0000 -219.44832 -216.29009 3.15823 1.77915 -216.35519 280.54315
8620.0000 -219.29105 -215.84086 3.45019 1.78626 -216.21782 289.47473
8625.0000 -219.24865 -216.14989 3.09876 1.80695 -215.81789 307.51259
8630.0000 -219.17348 -215.65436 3.51912 1.80281 -215.89788 305.12986
8635.0000 -219.17197 -216.19468 2.97729 1.79972 -215.95755 304.17963
8640.0000 -219.75134 -216.22266 3.52868 1.79808 -215.98923 302.26099
8645.0000 -219.67863 -216.18478 3.49385 1.78452 -216.25146 294.16030
8650.0000 -219.52869 -216.44349 3.08520 1.77470 -216.44126 287.21191
8655.0000 -219.07462 -216.25327 2.82136 1.76877 -216.55594 280.79022
8660.0000 -219.58730 -216.11415 3.47315 1.79772 -215.99636 302.37359
8665.0000 -219.30595 -215.73063 3.57532 1.81961 -215.57309 321.38943
8670.0000 -219.36657 -215.65132 3.71525 1.82199 -215.52713 324.39501
8675.0000 -218.99709 -215.55311 3.44398 1.82859 -215.39947 327.45496
8680.0000 -218.95097 -215.73636 3.21461 1.80457 -215.86378 306.62101
8685.0000 -219.49909 -215.81701 3.68208 1.79878 -215.97584 306.33626
8690.0000 -219.18864 -215.86622 3.32242 1.79269 -216.09344 301.82306
8695.0000 -219.85471 -216.36508 3.48963 1.79498 -216.04933 299.21130
8700.0000 -219.58356 -216.39778 3.18578 1.77993 -216.34018 287.79964
8705.0000 -219.00268 -215.54687 3.45581 1.81418 -215.67807 318.61339
8710.0000 -219.74537 -216.25064 3.49473 1.80206 -215.91242 305.83723
8715.0000 -219.73456 -216.55678 3.17778 1.79273 -216.09270 300.09483
8720.0000 -219.05446 -215.96973 3.08473 1.79387 -216.07077 295.02997
8725.0000 -219.41014 -216.73981 2.67033 1.78045 -216.33010 288.13144
8730.0000 -219.51659 -216.29711 3.21948 1.76811 -216.56876 278.41978
8735.0000 -218.96729 -215.52733 3.43996 1.78929 -216.15916 295.66520
8740.0000 -218.70220 -215.83595 2.86625 1.82526 -215.46383 327.96023
8745.0000 -219.74375 -216.05293 3.69081 1.80433 -215.86845 309.43321
8750.0000 -219.27382 -216.33825 2.93557 1.79673 -216.01535 300.04316
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 16 [min], 56.6564975 [s].
main_MD> Deallocating global variables
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