tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_61/freeze.log

1979 lines
195 KiB
Plaintext
Raw Blame History

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_61.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 = 61 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: 61 6100
main_MD> Size of nv and nvoiz: 61 6100
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 = 61
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> 3.3158719255183773E-002 -1.6498015112050596E-002 1.6734272517569884E-002 initial drift of cluster / NP1 for coalescence
init> 0.28586517651777954 0.28618998081561053 0.29141933009145093 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6912320798597304E-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) 1.51188 3.03910 2.12450
force_rgl> df(natom) 1.27973 -0.71319 2.03752
preparo> THERMALIZATION PROCESS AT 1178.2876099270729
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -131.91606204694176 10.929826083318364 -142.84588813026014 6.6293285342812827E-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= 1157.0000000000000
main_MD> interactions number 1 at Temperature= 1157.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24087 0.44657 0.50954
force_rgl> df(natom) 1.22095 1.78362 0.89241
5.0000 -143.86803 -134.00662 9.86141 2.97828 -133.79856 1116.19745
10.0000 -143.56521 -133.55372 10.01149 2.94367 -134.33483 1109.60412
15.0000 -143.29819 -133.87913 9.41905 2.96936 -133.93682 1187.35774
20.0000 -140.14223 -130.69857 9.44366 3.07244 -132.33937 1204.79202
25.0000 -142.11977 -132.07201 10.04776 3.10000 -131.91242 1248.98888
30.0000 -143.02061 -132.66371 10.35690 3.03297 -132.95111 1196.41290
35.0000 -142.49591 -133.27972 9.21619 3.00127 -133.44221 1167.98881
40.0000 -143.42995 -134.85242 8.57752 2.91169 -134.83044 1116.70037
45.0000 -144.27267 -133.17853 11.09414 3.03570 -132.90872 1205.59538
50.0000 -142.97856 -133.60874 9.36982 2.99408 -133.55371 1175.78486
55.0000 -141.56154 -132.92118 8.64035 3.02179 -133.12425 1171.68624
60.0000 -142.52225 -135.37911 7.14314 2.96822 -133.95437 1177.51873
65.0000 -143.37783 -134.17449 9.20334 2.87902 -135.33668 1061.83112
70.0000 -144.05760 -135.53661 8.52099 2.97293 -133.88139 1133.90173
75.0000 -144.50538 -134.34647 10.15891 2.90903 -134.87158 1119.64988
80.0000 -145.45242 -136.56503 8.88739 2.91959 -134.70800 1143.83791
85.0000 -143.02668 -133.56673 9.45995 2.89292 -135.12131 1079.98112
90.0000 -145.01391 -135.51425 9.49966 2.95207 -134.20475 1123.77626
95.0000 -141.99096 -132.48766 9.50330 2.97719 -133.81538 1186.45008
100.0000 -142.50045 -132.83537 9.66508 3.02286 -133.10781 1188.71081
105.0000 -140.50498 -131.83417 8.67080 3.06578 -132.44269 1262.21005
110.0000 -144.11970 -134.63793 9.48176 3.01348 -133.25308 1183.26934
115.0000 -142.94129 -131.81564 11.12565 2.96214 -134.04870 1157.96133
120.0000 -144.40726 -135.73436 8.67290 3.02989 -132.99882 1171.80125
125.0000 -143.84396 -134.94774 8.89622 2.88063 -135.31174 1069.15417
130.0000 -144.60458 -134.30998 10.29459 2.97164 -133.90147 1154.24408
135.0000 -141.38592 -133.51607 7.86985 2.98708 -133.66224 1148.96612
140.0000 -141.88892 -132.82296 9.06596 2.97601 -133.83369 1173.87837
145.0000 -144.66511 -135.52222 9.14289 3.05651 -132.58630 1244.27106
150.0000 -144.05335 -135.75328 8.30007 2.85069 -135.77575 1061.87215
155.0000 -142.80955 -133.16945 9.64010 2.93113 -134.52913 1134.52174
160.0000 -141.71505 -132.38024 9.33482 3.06460 -132.46098 1223.38629
165.0000 -142.57208 -132.54458 10.02750 3.07054 -132.36888 1251.77324
170.0000 -142.77339 -133.07304 9.70035 3.01674 -133.20251 1177.91778
175.0000 -142.12564 -131.91343 10.21221 3.06127 -132.51250 1190.14993
180.0000 -141.90227 -133.04638 8.85589 3.05536 -132.60416 1182.18275
185.0000 -142.80762 -134.07504 8.73259 2.95095 -134.22204 1119.02983
190.0000 -144.17353 -134.84907 9.32446 2.98480 -133.69758 1155.96517
195.0000 -142.74967 -134.04058 8.70909 2.96705 -133.97256 1179.91253
200.0000 -143.61847 -133.18751 10.43096 2.98227 -133.73671 1177.62503
205.0000 -142.94605 -134.42532 8.52073 2.99727 -133.50423 1162.75041
210.0000 -143.17437 -132.53808 10.63628 2.98306 -133.72441 1187.74444
215.0000 -143.03215 -133.41438 9.61778 3.08977 -132.07082 1242.97438
220.0000 -142.54661 -133.94178 8.60484 2.98338 -133.71949 1177.17019
225.0000 -140.31181 -129.19979 11.11203 3.12312 -131.55416 1239.28682
230.0000 -143.03718 -132.65843 10.37874 3.20957 -130.21448 1365.08943
235.0000 -142.38121 -133.38510 8.99611 3.05631 -132.58932 1220.82759
240.0000 -143.57125 -135.01300 8.55824 2.90864 -134.87761 1092.55428
245.0000 -144.83150 -135.82268 9.00882 2.88396 -135.26018 1084.40146
250.0000 -143.75444 -135.96704 7.78740 2.83583 -136.00592 1044.10913
FREEZING PROCESS: loop number 2 T-loop= 1132.0000000000000
main_MD> interactions number 2 at Temperature= 1132.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53126 -2.26583 2.74696
force_rgl> df(natom) -0.31406 4.98115 1.92621
255.0000 -143.40698 -135.01148 8.39551 2.87951 -135.32902 1071.64625
260.0000 -142.91413 -135.08991 7.82422 2.89107 -135.14990 1064.84689
265.0000 -144.14373 -135.68787 8.45585 2.82229 -136.21575 1040.61339
270.0000 -143.13815 -132.32858 10.80958 2.92308 -134.65395 1100.90576
275.0000 -142.78247 -134.81349 7.96898 3.04623 -132.74563 1194.04561
280.0000 -144.90051 -136.14508 8.75543 2.88548 -135.23660 1079.52884
285.0000 -142.68594 -134.09788 8.58807 2.89147 -135.14369 1122.47202
290.0000 -143.85865 -135.25378 8.60487 2.87364 -135.42003 1058.80226
295.0000 -143.61740 -133.51604 10.10135 2.96065 -134.07173 1162.42465
300.0000 -143.01978 -134.44231 8.57746 2.94264 -134.35077 1130.15971
305.0000 -142.38645 -134.21861 8.16784 2.89304 -135.11942 1083.43177
310.0000 -142.96578 -133.30761 9.65816 2.90563 -134.92429 1087.97514
315.0000 -144.87451 -137.41423 7.46028 2.86440 -135.56318 1094.85624
320.0000 -143.71144 -136.42863 7.28281 2.73888 -137.50829 977.85624
325.0000 -144.68276 -135.37938 9.30338 2.87785 -135.35486 1130.20993
330.0000 -143.50381 -135.73131 7.77250 2.85445 -135.71748 1069.58714
335.0000 -142.31393 -132.63525 9.67867 2.98171 -133.74537 1170.50436
340.0000 -142.10442 -132.42448 9.67994 2.96019 -134.07888 1143.96246
345.0000 -141.96325 -131.34219 10.62106 3.06655 -132.43068 1244.80498
350.0000 -142.05528 -132.26281 9.79247 3.14476 -131.21876 1297.24383
355.0000 -142.64574 -134.19223 8.45352 3.00692 -133.35472 1205.79521
360.0000 -142.55396 -135.00651 7.54745 2.94533 -134.30914 1161.98968
365.0000 -144.21897 -134.57528 9.64369 2.91831 -134.72786 1120.67144
370.0000 -145.42185 -136.05857 9.36328 2.93391 -134.48612 1090.62533
375.0000 -144.36582 -134.85614 9.50968 2.80897 -136.42218 1051.82453
380.0000 -144.86476 -137.05213 7.81263 2.86642 -135.53189 1085.29331
385.0000 -142.91767 -134.49799 8.41967 2.86986 -135.47865 1071.77194
390.0000 -144.50032 -136.23339 8.26692 2.90019 -135.00862 1105.78370
395.0000 -144.78104 -136.25674 8.52430 2.79744 -136.60077 1043.67481
400.0000 -145.67176 -137.23696 8.43480 2.75681 -137.23039 996.96811
405.0000 -143.47114 -133.72912 9.74202 2.82788 -136.12913 1039.18859
410.0000 -144.51283 -136.84847 7.66436 2.86559 -135.54485 1052.66372
415.0000 -144.45317 -135.22087 9.23230 2.80982 -136.40898 1008.84509
420.0000 -144.24520 -133.36790 10.87730 2.92040 -134.69548 1105.94521
425.0000 -143.69501 -135.15488 8.54013 2.96672 -133.97770 1167.17959
430.0000 -143.96038 -134.64936 9.31102 2.87181 -135.44847 1098.51728
435.0000 -143.94257 -135.22516 8.71740 2.90802 -134.88736 1125.65900
440.0000 -143.78347 -134.59084 9.19263 2.94908 -134.25105 1117.66286
445.0000 -145.77641 -137.19253 8.58388 2.85166 -135.76071 1062.36051
450.0000 -143.83765 -134.90205 8.93560 2.82948 -136.10430 1077.79781
455.0000 -143.82775 -134.01359 9.81417 2.92343 -134.64850 1100.45880
460.0000 -144.18160 -135.50781 8.67379 2.94615 -134.29643 1103.46026
465.0000 -143.36824 -135.62058 7.74766 2.85889 -135.64860 1048.54671
470.0000 -142.19692 -133.36386 8.83306 3.00258 -133.42195 1133.69584
475.0000 -143.65597 -134.35952 9.29645 3.00894 -133.32342 1201.93973
480.0000 -143.71389 -135.92002 7.79387 2.85004 -135.78569 1083.21341
485.0000 -143.38448 -133.10226 10.28222 2.88840 -135.19133 1085.30530
490.0000 -144.33559 -133.16549 11.17010 3.03225 -132.96229 1203.10374
495.0000 -141.77558 -133.91286 7.86272 3.00747 -133.34620 1209.92798
500.0000 -140.52564 -132.05186 8.47378 3.02424 -133.08634 1157.74129
FREEZING PROCESS: loop number 3 T-loop= 1107.0000000000000
main_MD> interactions number 3 at Temperature= 1107.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 13.22674 5.41969 1.58441
force_rgl> df(natom) 0.28133 -1.52322 4.60757
505.0000 -144.46303 -134.04701 10.41602 3.01907 -133.16642 1168.17729
510.0000 -142.37364 -133.04856 9.32507 2.87449 -135.40683 1094.46574
515.0000 -141.89755 -133.02702 8.87052 2.99189 -133.58758 1165.82338
520.0000 -143.82552 -134.63405 9.19148 2.99955 -133.46894 1185.64339
525.0000 -144.30361 -135.08417 9.21944 2.93836 -134.41722 1137.58290
530.0000 -142.23964 -133.85032 8.38933 2.90767 -134.89266 1117.25248
535.0000 -142.42729 -133.47002 8.95727 2.95423 -134.17121 1142.10300
540.0000 -143.21635 -133.28722 9.92913 2.99847 -133.48567 1204.38042
545.0000 -143.13007 -134.94811 8.18196 2.97780 -133.80603 1156.28451
550.0000 -144.39927 -134.19914 10.20013 2.89447 -135.09724 1086.60897
555.0000 -142.67013 -133.28154 9.38859 2.93177 -134.51930 1167.08944
560.0000 -142.21015 -133.65669 8.55346 2.92861 -134.56817 1131.10323
565.0000 -144.19926 -134.94592 9.25335 2.94218 -134.35792 1119.63484
570.0000 -142.29601 -133.74995 8.54606 3.03384 -132.93754 1195.90226
575.0000 -145.16930 -136.80906 8.36024 2.85960 -135.63764 1083.21178
580.0000 -143.93454 -134.26343 9.67111 2.83415 -136.03192 1041.55592
585.0000 -142.47073 -134.05917 8.41156 3.00577 -133.37255 1154.15482
590.0000 -143.46962 -135.17952 8.29010 2.93074 -134.53515 1137.37282
595.0000 -145.76218 -136.63699 9.12519 2.88453 -135.25130 1108.61885
600.0000 -141.71616 -133.36435 8.35181 2.89197 -135.13600 1099.29710
605.0000 -143.47303 -133.68411 9.78892 3.01258 -133.26701 1168.17410
610.0000 -143.45446 -134.31666 9.13780 2.99566 -133.52920 1163.92939
615.0000 -146.28953 -136.11586 10.17367 2.90548 -134.92663 1123.13287
620.0000 -144.12786 -136.18278 7.94508 2.82190 -136.22180 1042.29617
625.0000 -145.72541 -137.29594 8.42946 2.79299 -136.66986 1015.47655
630.0000 -143.87057 -134.37510 9.49547 2.79601 -136.62300 1027.55201
635.0000 -144.27148 -136.41228 7.85920 2.84004 -135.94066 1061.76885
640.0000 -145.08153 -136.60500 8.47653 2.74880 -137.35450 1005.82571
645.0000 -145.83987 -137.79529 8.04458 2.76193 -137.15105 1017.10568
650.0000 -145.03837 -135.99465 9.04371 2.74555 -137.40492 1016.57740
655.0000 -144.78554 -134.12839 10.65715 2.90847 -134.88028 1138.50348
660.0000 -143.29330 -135.41117 7.88213 2.90876 -134.87577 1116.92157
665.0000 -144.09771 -135.93096 8.16675 2.84985 -135.78869 1049.10935
670.0000 -142.12534 -133.59930 8.52604 2.95762 -134.11868 1160.90290
675.0000 -143.30048 -134.17864 9.12184 2.94354 -134.33695 1119.60913
680.0000 -144.42220 -136.33842 8.08378 2.90126 -134.99200 1112.06150
685.0000 -143.89875 -134.97421 8.92455 2.87248 -135.43801 1079.14970
690.0000 -142.14361 -133.91098 8.23263 2.86788 -135.50926 1086.61541
695.0000 -143.88600 -133.95739 9.92861 2.92995 -134.54739 1153.24435
700.0000 -144.57770 -135.42430 9.15340 2.91703 -134.74765 1149.77894
705.0000 -144.60635 -137.70712 6.89923 2.82840 -136.12109 1036.62301
710.0000 -144.64258 -138.40254 6.24004 2.70120 -138.09214 969.08928
715.0000 -144.64140 -135.69434 8.94706 2.76379 -137.12224 1020.10758
720.0000 -143.85760 -135.86247 7.99513 2.88808 -135.19625 1098.95923
725.0000 -145.27546 -136.65072 8.62474 2.75568 -137.24798 998.63991
730.0000 -143.38712 -133.73006 9.65706 2.91719 -134.74516 1115.32804
735.0000 -144.05358 -134.82577 9.22781 2.93419 -134.48176 1132.23132
740.0000 -142.26096 -134.07378 8.18718 2.89650 -135.06579 1079.90570
745.0000 -141.44633 -132.28297 9.16336 2.96839 -133.95184 1156.29704
750.0000 -143.24170 -135.95154 7.29016 2.89016 -135.16411 1061.95041
FREEZING PROCESS: loop number 4 T-loop= 1082.0000000000000
main_MD> interactions number 4 at Temperature= 1082.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00355 1.29593 0.63530
force_rgl> df(natom) -1.09458 2.70842 -0.05652
755.0000 -142.73893 -133.53030 9.20863 3.00688 -133.35533 1199.99358
760.0000 -143.07459 -134.22882 8.84577 2.95085 -134.22360 1131.17758
765.0000 -143.58836 -134.61598 8.97239 2.95990 -134.08339 1168.17225
770.0000 -144.30358 -135.06212 9.24145 2.93044 -134.53982 1122.69193
775.0000 -143.93943 -135.93318 8.00625 2.89932 -135.02209 1135.39469
780.0000 -143.29288 -134.97933 8.31355 2.80868 -136.42667 1052.74485
785.0000 -143.69714 -135.23943 8.45771 2.88143 -135.29935 1060.45976
790.0000 -141.54765 -134.01904 7.52860 2.94379 -134.33299 1137.55190
795.0000 -142.09147 -134.06010 8.03137 2.97218 -133.89314 1147.08961
800.0000 -143.08872 -133.48345 9.60527 2.91629 -134.75913 1088.64650
805.0000 -142.62857 -133.14071 9.48786 2.99819 -133.49003 1151.57615
810.0000 -141.39188 -132.04112 9.35075 3.00408 -133.39880 1187.75359
815.0000 -144.33734 -133.87588 10.46146 3.00704 -133.35291 1182.71838
820.0000 -146.31818 -138.98830 7.32988 2.86189 -135.60206 1087.72347
825.0000 -145.55234 -137.56594 7.98640 2.67564 -138.48823 948.84349
830.0000 -141.61770 -132.46524 9.15245 2.87979 -135.32474 1076.42903
835.0000 -142.07840 -132.49500 9.58340 3.06126 -132.51268 1244.85005
840.0000 -144.50390 -135.58303 8.92087 2.91317 -134.80742 1144.89149
845.0000 -144.30834 -135.94206 8.36627 2.90094 -134.99698 1140.59350
850.0000 -145.01238 -136.57534 8.43704 2.75523 -137.25499 1018.16440
855.0000 -145.89962 -135.15571 10.74390 2.84635 -135.84288 1082.38828
860.0000 -145.05039 -136.32408 8.72631 2.92085 -134.68844 1117.88816
865.0000 -143.42722 -134.29994 9.12729 2.88909 -135.18068 1073.87544
870.0000 -143.96168 -135.08701 8.87467 2.92063 -134.69187 1098.07820
875.0000 -145.34807 -137.05202 8.29605 2.80438 -136.49328 1050.54323
880.0000 -143.45588 -135.71674 7.73914 2.80215 -136.52783 1042.02623
885.0000 -144.51030 -135.21785 9.29245 2.94676 -134.28705 1133.74267
890.0000 -146.40457 -136.58634 9.81824 2.88411 -135.25776 1134.49417
895.0000 -144.30938 -136.09474 8.21464 2.86500 -135.55390 1092.14955
900.0000 -143.32738 -134.52227 8.80510 2.91016 -134.85421 1113.74236
905.0000 -143.09594 -134.64509 8.45085 2.92721 -134.58994 1118.62774
910.0000 -144.95524 -137.38166 7.57358 2.90365 -134.95508 1077.16934
915.0000 -142.09635 -132.69520 9.40115 2.81442 -136.33778 1045.87949
920.0000 -144.12919 -135.04729 9.08190 2.97264 -133.88597 1157.66650
925.0000 -143.38536 -135.92578 7.45958 2.83696 -135.98849 1049.52269
930.0000 -144.02784 -136.32093 7.70691 2.82864 -136.11743 1050.07436
935.0000 -143.40814 -134.64815 8.75998 2.89599 -135.07375 1085.31353
940.0000 -143.53028 -132.89644 10.63384 2.98482 -133.69715 1168.58350
945.0000 -142.77000 -131.55320 11.21680 3.03821 -132.86994 1170.98429
950.0000 -144.14400 -134.38485 9.75914 3.00471 -133.38903 1149.91413
955.0000 -144.60236 -136.26257 8.33978 2.84322 -135.89142 1065.67830
960.0000 -144.46866 -135.73272 8.73594 2.82780 -136.13041 1014.50816
965.0000 -144.38419 -137.32678 7.05741 2.82528 -136.16949 1032.35185
970.0000 -143.97943 -136.21241 7.76702 2.75831 -137.20714 1001.11166
975.0000 -144.41176 -136.52381 7.88796 2.89032 -135.16164 1075.52735
980.0000 -144.11453 -135.93110 8.18343 2.85919 -135.64390 1080.80458
985.0000 -144.26207 -136.69222 7.56985 2.77743 -136.91088 1024.04015
990.0000 -144.89113 -135.66496 9.22616 2.84683 -135.83557 1040.45730
995.0000 -143.09736 -134.06612 9.03124 2.89710 -135.05657 1089.65535
1000.0000 -141.60737 -134.51645 7.09092 2.87080 -135.46408 1085.85563
FREEZING PROCESS: loop number 5 T-loop= 1057.0000000000000
main_MD> interactions number 5 at Temperature= 1057.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44663 1.24058 -0.77657
force_rgl> df(natom) -0.98805 0.22229 2.65824
1005.0000 -143.26851 -134.38590 8.88261 2.95976 -134.08548 1140.71940
1010.0000 -143.05164 -136.08519 6.96646 2.95151 -134.21335 1138.43652
1015.0000 -142.77100 -136.32856 6.44244 2.82069 -136.24051 1031.87664
1020.0000 -145.52816 -137.38549 8.14267 2.70952 -137.96329 946.57179
1025.0000 -144.02015 -134.85718 9.16297 2.87300 -135.42994 1070.46835
1030.0000 -143.59911 -135.06512 8.53399 2.90886 -134.87433 1127.86025
1035.0000 -141.98231 -132.60209 9.38022 2.96445 -134.01280 1170.11766
1040.0000 -143.38227 -133.68666 9.69561 3.02709 -133.04211 1154.76044
1045.0000 -143.36626 -134.20606 9.16020 2.93582 -134.45654 1119.41271
1050.0000 -142.77975 -133.99866 8.78108 3.01014 -133.30492 1167.22440
1055.0000 -142.65959 -134.43124 8.22835 2.97415 -133.86254 1150.98184
1060.0000 -144.40723 -135.50954 8.89769 2.91889 -134.71883 1147.01401
1065.0000 -145.22949 -137.33357 7.89592 2.74716 -137.38002 963.07967
1070.0000 -143.72642 -135.12549 8.60093 2.74870 -137.35608 1000.17172
1075.0000 -143.81194 -135.85221 7.95973 2.91226 -134.82157 1071.55812
1080.0000 -142.62450 -133.55105 9.07345 2.94691 -134.28459 1141.64239
1085.0000 -143.04498 -134.67635 8.36863 2.90203 -134.98012 1098.10852
1090.0000 -142.10154 -134.20237 7.89917 2.93630 -134.44911 1097.15961
1095.0000 -140.77513 -132.42834 8.34679 2.95730 -134.12366 1133.53420
1100.0000 -142.22262 -133.61190 8.61072 2.98473 -133.69859 1147.77020
1105.0000 -143.90107 -135.78468 8.11639 2.95054 -134.22835 1142.60651
1110.0000 -142.80622 -134.26283 8.54339 2.89231 -135.13078 1080.42983
1115.0000 -144.72267 -137.01957 7.70310 2.83705 -135.98708 1035.25421
1120.0000 -146.00434 -137.68921 8.31513 2.71702 -137.84706 981.08203
1125.0000 -145.34158 -138.08737 7.25421 2.76258 -137.14107 996.49295
1130.0000 -145.23312 -137.58208 7.65104 2.73135 -137.62495 977.06452
1135.0000 -144.66756 -136.30283 8.36474 2.77289 -136.98125 1025.72875
1140.0000 -144.01445 -135.81162 8.20282 2.83773 -135.97653 1056.15402
1145.0000 -143.60047 -134.84812 8.75236 2.86718 -135.52015 1084.31723
1150.0000 -145.02477 -136.17877 8.84600 2.90403 -134.94907 1101.95254
1155.0000 -143.61520 -134.66727 8.94793 2.89013 -135.16453 1102.99956
1160.0000 -142.40131 -133.44391 8.95739 2.92453 -134.63142 1155.70369
1165.0000 -142.55299 -133.88634 8.66666 3.02103 -133.13606 1218.32698
1170.0000 -142.57050 -133.30748 9.26302 3.02102 -133.13623 1197.66176
1175.0000 -143.26622 -135.55490 7.71132 2.92471 -134.62865 1105.44865
1180.0000 -144.10046 -135.97224 8.12822 2.88291 -135.27641 1077.81534
1185.0000 -143.96131 -134.88789 9.07342 2.90007 -135.01052 1071.02806
1190.0000 -145.38181 -137.41062 7.97119 2.73956 -137.49769 1004.93321
1195.0000 -145.01382 -136.24990 8.76392 2.79363 -136.65994 1021.86141
1200.0000 -143.68503 -135.64444 8.04060 2.79959 -136.56759 1043.28507
1205.0000 -143.84728 -136.51595 7.33133 2.78520 -136.79047 1026.42951
1210.0000 -143.27445 -134.65273 8.62172 2.94169 -134.36553 1153.44595
1215.0000 -142.88143 -135.43900 7.44243 2.95169 -134.21051 1154.58384
1220.0000 -141.55580 -133.69537 7.86043 2.89951 -135.01909 1102.84988
1225.0000 -145.35261 -135.89183 9.46077 2.93496 -134.46985 1096.96649
1230.0000 -143.32524 -135.58993 7.73531 2.84891 -135.80322 1054.04820
1235.0000 -141.97422 -133.77114 8.20308 2.92224 -134.66687 1120.96395
1240.0000 -144.05276 -135.00943 9.04334 2.95598 -134.14411 1153.14928
1245.0000 -146.00177 -138.56894 7.43283 2.74063 -137.48112 1011.42753
1250.0000 -143.87542 -135.91708 7.95834 2.76995 -137.02677 983.95951
FREEZING PROCESS: loop number 6 T-loop= 1032.0000000000000
main_MD> interactions number 6 at Temperature= 1032.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73793 3.04100 -1.94464
force_rgl> df(natom) 1.87834 0.59816 -2.68285
1255.0000 -144.33063 -135.80668 8.52395 2.87360 -135.42068 1082.19845
1260.0000 -144.35254 -135.62003 8.73252 2.80476 -136.48733 1041.28769
1265.0000 -144.90611 -136.73592 8.17019 2.85259 -135.74617 1082.11349
1270.0000 -145.76178 -138.42288 7.33890 2.70932 -137.96630 963.62436
1275.0000 -147.12134 -139.16257 7.95877 2.66139 -138.70915 904.57745
1280.0000 -146.02783 -138.34873 7.67910 2.65259 -138.84550 918.19211
1285.0000 -146.07288 -139.04159 7.03129 2.66249 -138.69208 973.30181
1290.0000 -144.33459 -137.26502 7.06957 2.70369 -138.05360 957.75800
1295.0000 -145.07167 -137.78933 7.28234 2.73271 -137.60393 1014.16019
1300.0000 -145.34105 -136.64605 8.69499 2.72344 -137.74747 990.00544
1305.0000 -144.26870 -136.33364 7.93506 2.83913 -135.95482 1064.24515
1310.0000 -144.40526 -137.40660 6.99866 2.76053 -137.17276 1003.01794
1315.0000 -144.97612 -136.78567 8.19045 2.82808 -136.12607 1067.29786
1320.0000 -147.48157 -139.19553 8.28603 2.67200 -138.54467 953.84547
1325.0000 -144.86261 -136.63943 8.22318 2.72636 -137.70228 985.42486
1330.0000 -144.82390 -135.83738 8.98652 2.76368 -137.12405 1011.14239
1335.0000 -145.30951 -137.81670 7.49281 2.70918 -137.96851 968.81057
1340.0000 -146.34897 -138.31537 8.03360 2.67900 -138.43623 979.14149
1345.0000 -146.19091 -139.04262 7.14829 2.70130 -138.09064 954.23200
1350.0000 -144.94821 -136.53941 8.40879 2.68625 -138.32385 952.30043
1355.0000 -144.38491 -135.29595 9.08895 2.80008 -136.55990 1043.44052
1360.0000 -144.19419 -135.84894 8.34525 2.90380 -134.95271 1119.24336
1365.0000 -144.46352 -136.74619 7.71733 2.88230 -135.28592 1055.21555
1370.0000 -143.74959 -136.56753 7.18206 2.79069 -136.70543 1023.52967
1375.0000 -145.49463 -137.33404 8.16059 2.76368 -137.12397 1006.97325
1380.0000 -144.35510 -136.02778 8.32732 2.78204 -136.83950 1019.02534
1385.0000 -144.78113 -135.83547 8.94566 2.85725 -135.67401 1049.57956
1390.0000 -140.84485 -133.85428 6.99058 2.91349 -134.80248 1114.48080
1395.0000 -145.41123 -137.17138 8.23985 2.93359 -134.49105 1132.32657
1400.0000 -144.42033 -137.21299 7.20733 2.80947 -136.41444 1050.31493
1405.0000 -143.89567 -136.36786 7.52781 2.82324 -136.20103 1094.95126
1410.0000 -144.55427 -135.23031 9.32397 2.86026 -135.62739 1083.43574
1415.0000 -144.28167 -135.40028 8.88139 2.84038 -135.93540 1040.89059
1420.0000 -143.82410 -135.94506 7.87903 2.81364 -136.34977 1037.44965
1425.0000 -145.76904 -137.32901 8.44003 2.85932 -135.64201 1057.56032
1430.0000 -145.67930 -137.40378 8.27552 2.79106 -136.69963 1021.43106
1435.0000 -146.48831 -137.52905 8.95926 2.77303 -136.97910 1028.88862
1440.0000 -146.58681 -138.99532 7.59149 2.68895 -138.28203 971.49392
1445.0000 -145.81015 -137.19543 8.61472 2.75264 -137.29511 992.67410
1450.0000 -143.49547 -135.52938 7.96610 2.80045 -136.55412 999.95569
1455.0000 -144.32669 -135.42551 8.90118 2.83156 -136.07210 1036.73962
1460.0000 -145.77861 -137.04374 8.73487 2.79724 -136.60395 1015.71458
1465.0000 -145.62543 -137.50778 8.11765 2.79247 -136.67789 1038.21455
1470.0000 -145.19301 -137.52831 7.66471 2.77361 -136.97009 1019.64179
1475.0000 -144.72156 -136.32352 8.39804 2.75218 -137.30226 989.21525
1480.0000 -144.49255 -133.98221 10.51035 2.90514 -134.93189 1097.37213
1485.0000 -143.90233 -135.63702 8.26531 2.95199 -134.20596 1189.63073
1490.0000 -145.97999 -137.33615 8.64384 2.76722 -137.06914 1023.68557
1495.0000 -145.63250 -138.55807 7.07443 2.63328 -139.14467 913.71995
1500.0000 -145.25386 -136.39349 8.86037 2.66569 -138.64249 964.61005
FREEZING PROCESS: loop number 7 T-loop= 1007.0000000000000
main_MD> interactions number 7 at Temperature= 1007.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.76908 -4.09413 0.21341
force_rgl> df(natom) -1.55645 1.77392 0.18017
1505.0000 -144.07629 -135.40752 8.66877 2.79210 -136.68356 1032.70284
1510.0000 -144.47620 -137.05567 7.42053 2.84964 -135.79188 1052.69955
1515.0000 -146.43565 -138.55860 7.87705 2.65898 -138.74636 907.18942
1520.0000 -143.82537 -136.34066 7.48470 2.78371 -136.81356 1037.45964
1525.0000 -144.35654 -135.18744 9.16910 2.79239 -136.67910 1028.00098
1530.0000 -143.36857 -136.02015 7.34842 2.85156 -135.76223 1035.51605
1535.0000 -145.08994 -136.85170 8.23823 2.84783 -135.81994 1086.55828
1540.0000 -143.49136 -136.53613 6.95523 2.76298 -137.13486 1021.18244
1545.0000 -144.40570 -137.37822 7.02749 2.84341 -135.88851 1058.33597
1550.0000 -144.89191 -135.50984 9.38207 2.79044 -136.70931 1037.65459
1555.0000 -146.04673 -138.83841 7.20832 2.70047 -138.10348 976.62146
1560.0000 -145.98006 -138.45811 7.52195 2.68897 -138.28177 989.12622
1565.0000 -146.96177 -138.35730 8.60448 2.67538 -138.49223 937.24084
1570.0000 -144.67777 -137.40598 7.27178 2.73517 -137.56570 989.48424
1575.0000 -144.72577 -137.22122 7.50455 2.77179 -136.99837 966.31615
1580.0000 -143.78972 -136.23782 7.55190 2.83057 -136.08752 1048.39927
1585.0000 -145.79410 -136.67526 9.11883 2.73694 -137.53831 968.15160
1590.0000 -144.63135 -136.34587 8.28548 2.76870 -137.04627 1015.53702
1595.0000 -147.30402 -139.61678 7.68723 2.71874 -137.82044 1009.53506
1600.0000 -147.90771 -139.23950 8.66821 2.55461 -140.36367 895.04233
1605.0000 -144.42834 -136.79976 7.62858 2.77916 -136.88403 1006.37911
1610.0000 -144.38107 -136.75334 7.62773 2.77014 -137.02395 1008.32730
1615.0000 -146.28771 -138.55862 7.72909 2.75577 -137.24656 1019.93026
1620.0000 -146.36370 -138.74444 7.61926 2.67445 -138.50677 983.25743
1625.0000 -145.71006 -138.80414 6.90592 2.64517 -138.96040 924.05938
1630.0000 -146.70601 -138.35622 8.34979 2.70070 -138.10000 978.94065
1635.0000 -145.81750 -139.42319 6.39431 2.70936 -137.96579 974.33024
1640.0000 -146.81620 -139.82567 6.99054 2.58310 -139.92227 866.45410
1645.0000 -145.74726 -137.94155 7.80570 2.66292 -138.68532 963.27257
1650.0000 -144.43705 -135.99912 8.43793 2.75408 -137.27277 984.42527
1655.0000 -141.47485 -134.69456 6.78029 2.91254 -134.81723 1146.16390
1660.0000 -146.08340 -137.79308 8.29032 2.79622 -136.61975 1006.53010
1665.0000 -144.00472 -136.96968 7.03505 2.75109 -137.31909 979.34961
1670.0000 -143.91891 -134.80122 9.11769 2.84708 -135.83156 1046.37548
1675.0000 -144.44916 -136.19243 8.25674 2.85586 -135.69554 1079.33949
1680.0000 -145.74130 -137.99427 7.74703 2.73242 -137.60842 954.07731
1685.0000 -146.91913 -140.23718 6.68195 2.59213 -139.78226 895.15089
1690.0000 -145.72353 -138.09280 7.63072 2.65223 -138.85105 896.66158
1695.0000 -147.89371 -140.38626 7.50745 2.62464 -139.27863 915.86210
1700.0000 -146.39049 -139.26929 7.12120 2.60256 -139.62078 900.36246
1705.0000 -146.03716 -138.57848 7.45868 2.65516 -138.80562 927.62417
1710.0000 -145.99039 -138.22180 7.76860 2.71790 -137.83342 949.45711
1715.0000 -145.12499 -138.70959 6.41539 2.76388 -137.12088 1019.18158
1720.0000 -145.52673 -137.20338 8.32335 2.78554 -136.78531 1010.30175
1725.0000 -146.20944 -137.51965 8.68979 2.79789 -136.59391 1085.84998
1730.0000 -146.63027 -139.40842 7.22185 2.69436 -138.19816 992.05661
1735.0000 -147.01525 -138.69327 8.32197 2.60465 -139.58836 898.48524
1740.0000 -144.66115 -137.78653 6.87462 2.67868 -138.44109 972.57589
1745.0000 -145.60363 -138.34489 7.25875 2.71944 -137.80946 957.94201
1750.0000 -145.58213 -138.62534 6.95679 2.67325 -138.52536 896.89778
FREEZING PROCESS: loop number 8 T-loop= 982.00000000000000
main_MD> interactions number 8 at Temperature= 982.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08167 5.84564 -0.80041
force_rgl> df(natom) 2.16238 2.79153 0.42794
1755.0000 -147.48744 -140.34612 7.14133 2.60539 -139.57681 892.35234
1760.0000 -147.27635 -139.66945 7.60691 2.61928 -139.36159 923.39399
1765.0000 -148.09238 -140.37686 7.71552 2.59150 -139.79205 892.90332
1770.0000 -147.98860 -139.84592 8.14268 2.57234 -140.08893 872.94731
1775.0000 -146.30579 -139.81267 6.49312 2.63615 -139.10013 959.41726
1780.0000 -146.75551 -138.67825 8.07726 2.57604 -140.03159 884.75051
1785.0000 -146.13973 -138.60523 7.53450 2.67145 -138.55317 960.18972
1790.0000 -147.73477 -141.12603 6.60874 2.57596 -140.03283 894.16652
1795.0000 -145.94479 -138.09294 7.85184 2.57366 -140.06853 882.16373
1800.0000 -146.16229 -137.23025 8.93205 2.73529 -137.56387 1004.88636
1805.0000 -145.73579 -138.14080 7.59499 2.73505 -137.56769 1011.21210
1810.0000 -144.71255 -136.28956 8.42300 2.74714 -137.38032 1017.37344
1815.0000 -144.59210 -137.04597 7.54612 2.78996 -136.71677 997.72441
1820.0000 -145.56172 -137.76483 7.79689 2.74789 -137.36866 977.62538
1825.0000 -145.60741 -137.96202 7.64539 2.71132 -137.93535 993.21940
1830.0000 -147.11332 -139.15931 7.95401 2.67890 -138.43781 928.18642
1835.0000 -145.87478 -138.53402 7.34076 2.60429 -139.59395 901.37653
1840.0000 -144.20229 -135.86463 8.33766 2.72519 -137.72037 941.33651
1845.0000 -143.23429 -136.11611 7.11817 2.84464 -135.86939 1085.12964
1850.0000 -143.65971 -136.10233 7.55738 2.82488 -136.17568 1045.81380
1855.0000 -143.92856 -135.13833 8.79023 2.86882 -135.49470 1097.09256
1860.0000 -142.26516 -134.48288 7.78227 2.92971 -134.55123 1066.60489
1865.0000 -145.41577 -138.09257 7.32320 2.82535 -136.16842 1031.37729
1870.0000 -144.39523 -136.87153 7.52369 2.72847 -137.66953 989.51552
1875.0000 -145.42708 -137.40278 8.02430 2.72877 -137.66490 966.46589
1880.0000 -144.31708 -135.08117 9.23591 2.81977 -136.25476 1058.43135
1885.0000 -143.86435 -136.83371 7.03064 2.82960 -136.10250 1065.72788
1890.0000 -144.76952 -136.84186 7.92766 2.77606 -136.93221 1013.35169
1895.0000 -146.31752 -138.18942 8.12809 2.71291 -137.91068 993.57985
1900.0000 -146.25000 -138.86986 7.38013 2.66140 -138.70895 954.24225
1905.0000 -146.38510 -139.03636 7.34873 2.71400 -137.89387 936.98122
1910.0000 -145.06314 -136.25796 8.80518 2.76484 -137.10601 1023.62341
1915.0000 -146.62165 -137.90362 8.71803 2.71843 -137.82510 968.97369
1920.0000 -144.22220 -137.18250 7.03970 2.72244 -137.76311 993.69947
1925.0000 -145.07602 -136.85897 8.21705 2.73018 -137.64310 961.73887
1930.0000 -144.77832 -137.95802 6.82030 2.67324 -138.52543 944.54141
1935.0000 -145.24025 -137.19461 8.04564 2.77329 -136.97502 1040.94292
1940.0000 -144.77826 -137.97301 6.80525 2.74611 -137.39628 992.60323
1945.0000 -145.86826 -136.78778 9.08048 2.75882 -137.19928 1011.78023
1950.0000 -143.95759 -135.16408 8.79351 2.79651 -136.61524 1067.40063
1955.0000 -145.95656 -138.47963 7.47693 2.74289 -137.44614 1006.09776
1960.0000 -146.00581 -137.83775 8.16806 2.63997 -139.04098 922.96311
1965.0000 -144.48141 -136.02220 8.45921 2.83531 -136.01402 1048.88188
1970.0000 -143.50802 -134.76288 8.74514 2.85961 -135.63746 1084.00000
1975.0000 -144.64782 -135.18681 9.46101 2.84414 -135.87722 1057.25203
1980.0000 -144.21216 -135.46304 8.74913 2.86141 -135.60955 1076.04681
1985.0000 -144.34689 -135.80867 8.53822 2.94136 -134.37073 1150.26994
1990.0000 -145.98296 -138.63971 7.34325 2.78209 -136.83873 1048.29665
1995.0000 -145.96185 -137.73392 8.22792 2.66354 -138.67570 920.86460
2000.0000 -147.65447 -141.11433 6.54015 2.60605 -139.56670 901.38900
FREEZING PROCESS: loop number 9 T-loop= 957.00000000000000
main_MD> interactions number 9 at Temperature= 957.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60346 -0.64472 0.71489
force_rgl> df(natom) -2.98027 3.57485 7.64095
2005.0000 -145.98049 -139.52720 6.45329 2.64381 -138.98154 917.65452
2010.0000 -147.53133 -140.33398 7.19735 2.54699 -140.48185 872.32544
2015.0000 -144.73671 -137.96388 6.77284 2.60009 -139.65891 890.08572
2020.0000 -145.66322 -137.38651 8.27671 2.74239 -137.45390 980.47289
2025.0000 -145.96614 -137.08266 8.88348 2.79742 -136.60116 1071.67601
2030.0000 -144.44207 -137.86748 6.57458 2.74295 -137.44524 984.43292
2035.0000 -145.99460 -138.81009 7.18452 2.70123 -138.09171 933.28666
2040.0000 -146.65150 -137.06650 9.58500 2.70059 -138.10161 945.23462
2045.0000 -144.42231 -137.35644 7.06586 2.78476 -136.79729 1066.33295
2050.0000 -144.21427 -136.02962 8.18465 2.78986 -136.71835 1007.69784
2055.0000 -144.73089 -138.01213 6.71876 2.79115 -136.69824 1009.47725
2060.0000 -145.21240 -137.52393 7.68848 2.72429 -137.73442 988.76393
2065.0000 -144.86967 -136.51776 8.35191 2.77727 -136.91339 1028.36124
2070.0000 -147.31808 -139.14929 8.16879 2.75175 -137.30880 989.94470
2075.0000 -146.46342 -138.39761 8.06581 2.66025 -138.72670 956.77205
2080.0000 -146.28655 -140.13287 6.15368 2.63746 -139.07989 903.07496
2085.0000 -146.86267 -138.78289 8.07978 2.60264 -139.61954 897.81994
2090.0000 -147.51228 -140.34885 7.16343 2.60480 -139.58602 906.64781
2095.0000 -145.06753 -138.40477 6.66276 2.63751 -139.07916 884.74322
2100.0000 -145.15602 -136.66268 8.49333 2.71238 -137.91897 1011.20156
2105.0000 -144.94271 -138.24151 6.70120 2.71802 -137.83161 977.35872
2110.0000 -146.69261 -139.56643 7.12618 2.71157 -137.93151 979.05132
2115.0000 -145.28744 -138.83670 6.45074 2.63112 -139.17807 914.06828
2120.0000 -146.24975 -138.59181 7.65794 2.68443 -138.35202 949.80611
2125.0000 -143.68043 -136.71716 6.96327 2.74852 -137.35893 991.71984
2130.0000 -144.69626 -136.54462 8.15164 2.76201 -137.14983 985.22606
2135.0000 -144.97849 -136.78222 8.19626 2.76885 -137.04392 1013.79020
2140.0000 -145.52492 -137.98780 7.53712 2.74887 -137.35348 1032.28664
2145.0000 -146.26358 -138.38557 7.87801 2.73330 -137.59468 966.11063
2150.0000 -145.40214 -136.89297 8.50918 2.74291 -137.44581 971.98623
2155.0000 -145.62818 -138.57423 7.05395 2.71895 -137.81713 959.11371
2160.0000 -145.18627 -136.70014 8.48613 2.75871 -137.20102 1010.26119
2165.0000 -143.51538 -134.74071 8.77467 2.84642 -135.84187 1050.59913
2170.0000 -143.70837 -136.21044 7.49793 2.94438 -134.32385 1092.16011
2175.0000 -144.41701 -137.93554 6.48147 2.76354 -137.12623 995.57884
2180.0000 -145.82808 -137.71162 8.11646 2.77080 -137.01369 1026.95135
2185.0000 -145.13204 -137.83820 7.29384 2.75244 -137.29810 1011.82644
2190.0000 -145.50628 -136.43314 9.07314 2.73676 -137.54110 973.77200
2195.0000 -145.10708 -136.37766 8.72942 2.72524 -137.71972 970.18974
2200.0000 -144.04022 -137.65335 6.38687 2.80373 -136.50334 1019.99943
2205.0000 -144.79300 -138.62242 6.17058 2.67910 -138.43464 923.44450
2210.0000 -145.53389 -137.61790 7.91599 2.63395 -139.13432 899.97559
2215.0000 -145.79420 -137.58099 8.21321 2.74741 -137.37617 1007.01170
2220.0000 -147.27261 -138.64518 8.62742 2.70878 -137.97467 970.36403
2225.0000 -144.39822 -137.86256 6.53567 2.70679 -138.00556 998.56666
2230.0000 -147.18272 -139.03473 8.14799 2.62295 -139.30481 922.72760
2235.0000 -146.80864 -138.58295 8.22570 2.67729 -138.46272 923.32966
2240.0000 -146.74377 -139.34008 7.40369 2.65056 -138.87693 925.06162
2245.0000 -147.08678 -138.69476 8.39202 2.66231 -138.69475 946.68083
2250.0000 -144.50150 -138.87297 5.62852 2.60875 -139.52476 915.58061
FREEZING PROCESS: loop number 10 T-loop= 932.00000000000000
main_MD> interactions number 10 at Temperature= 932.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79923 -3.52026 2.61705
force_rgl> df(natom) -1.28081 1.53963 0.52361
2255.0000 -146.51226 -140.28140 6.23086 2.64535 -138.95769 914.49262
2260.0000 -145.45676 -137.72101 7.73576 2.64987 -138.88752 942.47319
2265.0000 -146.28595 -139.62687 6.65908 2.61938 -139.36007 912.15721
2270.0000 -145.34002 -138.04098 7.29904 2.62700 -139.24200 863.54266
2275.0000 -145.47101 -137.21426 8.25675 2.74436 -137.42345 1002.61940
2280.0000 -146.31883 -137.83920 8.47963 2.74460 -137.41969 997.92209
2285.0000 -146.08771 -138.38201 7.70569 2.69344 -138.21249 964.16553
2290.0000 -144.03133 -137.27086 6.76047 2.71175 -137.92869 1018.21671
2295.0000 -146.50307 -138.21937 8.28370 2.78003 -136.87060 1010.25785
2300.0000 -146.35653 -139.50250 6.85403 2.63041 -139.18914 903.21669
2305.0000 -146.49938 -139.54611 6.95328 2.64702 -138.93179 942.61667
2310.0000 -147.33973 -141.01306 6.32667 2.57550 -140.04000 882.74735
2315.0000 -147.76540 -140.72743 7.03797 2.54875 -140.45449 867.69312
2320.0000 -146.85860 -140.28967 6.56894 2.54918 -140.44789 872.91789
2325.0000 -147.16799 -140.86287 6.30512 2.58151 -139.94695 890.19584
2330.0000 -147.38286 -139.94668 7.43619 2.60399 -139.59861 901.34013
2335.0000 -146.76072 -139.60130 7.15943 2.57476 -140.05145 867.96221
2340.0000 -146.66457 -139.19684 7.46773 2.61572 -139.41681 909.09994
2345.0000 -145.74616 -139.01556 6.73060 2.65368 -138.82862 937.50462
2350.0000 -145.75608 -138.37335 7.38273 2.60859 -139.52732 914.11201
2355.0000 -147.63146 -140.16926 7.46219 2.61270 -139.46350 889.22498
2360.0000 -146.74214 -140.36903 6.37311 2.56630 -140.18256 884.04895
2365.0000 -146.42976 -139.04080 7.38896 2.53476 -140.67129 861.36619
2370.0000 -146.24568 -139.27140 6.97428 2.64569 -138.95229 936.64293
2375.0000 -146.32963 -137.99702 8.33262 2.65693 -138.77826 938.04271
2380.0000 -144.80757 -137.08785 7.71972 2.74975 -137.33981 1006.47436
2385.0000 -146.16204 -137.37039 8.79165 2.78210 -136.83853 1000.98880
2390.0000 -144.37421 -135.71768 8.65654 2.79918 -136.57386 1021.11139
2395.0000 -144.15944 -136.13710 8.02234 2.84428 -135.87503 1044.36980
2400.0000 -145.73141 -137.15709 8.57432 2.75224 -137.30120 1006.54379
2405.0000 -143.88899 -136.54525 7.34374 2.74825 -137.36316 972.37140
2410.0000 -146.36344 -138.43452 7.92892 2.73237 -137.60910 996.81742
2415.0000 -145.34243 -137.98914 7.35329 2.70082 -138.09801 989.28916
2420.0000 -146.93286 -139.07390 7.85896 2.66912 -138.58924 945.89536
2425.0000 -145.95204 -138.91087 7.04117 2.66858 -138.59767 946.29097
2430.0000 -146.51165 -138.34978 8.16187 2.63477 -139.12153 931.58940
2435.0000 -146.19944 -138.29493 7.90450 2.72725 -137.68845 975.43865
2440.0000 -145.82081 -136.96218 8.85863 2.70892 -137.97258 978.14234
2445.0000 -146.59978 -139.58034 7.01945 2.77953 -136.87838 1031.32594
2450.0000 -147.38299 -141.81575 5.56724 2.52342 -140.84708 872.38019
2455.0000 -147.31265 -140.71483 6.59782 2.50485 -141.13486 829.77963
2460.0000 -146.97224 -139.30546 7.66678 2.54776 -140.46992 882.97289
2465.0000 -145.23708 -138.23303 7.00405 2.65192 -138.85590 953.68197
2470.0000 -147.91480 -140.36423 7.55057 2.59656 -139.71373 867.08974
2475.0000 -145.32478 -138.54115 6.78363 2.56704 -140.17118 827.25419
2480.0000 -146.20621 -139.66933 6.53688 2.66396 -138.66931 927.70385
2485.0000 -146.13530 -140.07819 6.05710 2.59207 -139.78325 908.00906
2490.0000 -146.76868 -139.43490 7.33378 2.54359 -140.53447 820.94745
2495.0000 -146.41968 -139.46340 6.95629 2.62166 -139.32470 910.29999
2500.0000 -146.54742 -140.48505 6.06237 2.61269 -139.46377 917.86438
FREEZING PROCESS: loop number 11 T-loop= 907.00000000000000
main_MD> interactions number 11 at Temperature= 907.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81943 -0.31031 3.04872
force_rgl> df(natom) 2.23422 0.06829 0.10912
2505.0000 -146.09579 -139.39314 6.70265 2.60886 -139.52315 947.42195
2510.0000 -145.88421 -139.12623 6.75797 2.56960 -140.13143 865.18172
2515.0000 -146.54445 -139.57224 6.97221 2.62340 -139.29770 906.93567
2520.0000 -148.29007 -140.86755 7.42252 2.57122 -140.10636 886.90469
2525.0000 -145.25487 -139.01362 6.24125 2.63273 -139.15319 945.08573
2530.0000 -147.76161 -140.15586 7.60575 2.57417 -140.06058 876.00138
2535.0000 -146.47557 -138.36912 8.10646 2.64084 -139.02744 929.60716
2540.0000 -144.72923 -138.80847 5.92076 2.72473 -137.72749 969.58451
2545.0000 -147.00804 -140.24637 6.76167 2.55228 -140.39980 869.94032
2550.0000 -146.93410 -139.73673 7.19737 2.57216 -140.09182 877.56223
2555.0000 -145.48168 -138.10259 7.37909 2.64673 -138.93622 914.02673
2560.0000 -144.95727 -136.56787 8.38939 2.73537 -137.56263 957.01735
2565.0000 -145.96595 -138.77249 7.19345 2.73897 -137.50696 978.65831
2570.0000 -147.64895 -140.19799 7.45096 2.56698 -140.17206 854.19184
2575.0000 -147.26875 -140.73678 6.53197 2.48815 -141.39357 817.28523
2580.0000 -144.59423 -137.91880 6.67544 2.60396 -139.59906 882.52242
2585.0000 -145.09446 -136.94876 8.14570 2.69477 -138.19183 991.45853
2590.0000 -147.71029 -140.37325 7.33704 2.62161 -139.32546 911.31665
2595.0000 -147.11153 -139.55026 7.56127 2.62448 -139.28108 904.95512
2600.0000 -145.26453 -137.68025 7.58428 2.70964 -137.96144 957.37724
2605.0000 -146.03597 -138.93008 7.10589 2.65495 -138.80889 896.11474
2610.0000 -147.82621 -140.03065 7.79556 2.62547 -139.26572 889.61950
2615.0000 -146.60936 -141.02772 5.58165 2.57168 -140.09923 876.80494
2620.0000 -146.47498 -139.77809 6.69689 2.54657 -140.48839 855.16497
2625.0000 -146.74568 -139.44025 7.30543 2.64941 -138.89465 921.27922
2630.0000 -145.60502 -138.53539 7.06964 2.61632 -139.40743 934.36167
2635.0000 -146.00709 -138.84547 7.16162 2.72377 -137.74249 999.04734
2640.0000 -148.04348 -140.01715 8.02633 2.63516 -139.11551 930.58736
2645.0000 -146.37580 -138.52374 7.85206 2.63646 -139.09532 901.75391
2650.0000 -145.78764 -139.43368 6.35396 2.63256 -139.15585 913.41170
2655.0000 -147.51884 -140.75327 6.76557 2.54674 -140.48565 851.55724
2660.0000 -147.33578 -139.81672 7.51906 2.56047 -140.27286 853.99412
2665.0000 -146.15013 -138.89350 7.25663 2.56435 -140.21280 880.71225
2670.0000 -146.81175 -138.67239 8.13936 2.65155 -138.86163 918.66126
2675.0000 -145.83731 -138.37622 7.46109 2.63718 -139.08419 917.81606
2680.0000 -146.31525 -138.70909 7.60617 2.62870 -139.21561 917.46835
2685.0000 -147.53722 -140.43534 7.10188 2.60854 -139.52800 869.76538
2690.0000 -146.71189 -138.50895 8.20294 2.56867 -140.14591 850.54929
2695.0000 -145.62673 -138.16896 7.45777 2.67031 -138.57087 926.46208
2700.0000 -148.25924 -140.69821 7.56102 2.59523 -139.73437 916.23234
2705.0000 -146.76321 -140.04025 6.72296 2.57280 -140.08184 891.93542
2710.0000 -147.35892 -140.34665 7.01227 2.54833 -140.46101 873.99458
2715.0000 -147.72599 -140.12006 7.60593 2.56634 -140.18200 863.63100
2720.0000 -147.15350 -140.08171 7.07178 2.57661 -140.02288 843.93951
2725.0000 -146.81985 -138.74524 8.07460 2.63593 -139.10362 880.91503
2730.0000 -146.61377 -139.56010 7.05367 2.62995 -139.19620 924.21107
2735.0000 -147.47183 -140.50157 6.97026 2.60184 -139.63186 911.80808
2740.0000 -147.79333 -138.89160 8.90173 2.59376 -139.75704 892.09554
2745.0000 -147.80471 -139.73679 8.06792 2.61488 -139.42980 925.52304
2750.0000 -147.32405 -140.96370 6.36034 2.58638 -139.87143 886.24394
FREEZING PROCESS: loop number 12 T-loop= 882.00000000000000
main_MD> interactions number 12 at Temperature= 882.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06224 -1.71754 -0.48423
force_rgl> df(natom) -0.12719 1.68070 -0.41860
2755.0000 -147.31568 -141.86159 5.45410 2.49117 -141.34681 821.07161
2760.0000 -147.02360 -139.45955 7.56405 2.56224 -140.24547 839.40317
2765.0000 -147.04491 -139.68111 7.36380 2.58724 -139.85812 866.59683
2770.0000 -147.38115 -141.44040 5.94075 2.53954 -140.59725 863.28903
2775.0000 -147.00655 -139.37830 7.62824 2.57163 -140.10006 894.93759
2780.0000 -146.72474 -138.93662 7.78811 2.65569 -138.79736 944.51491
2785.0000 -145.48456 -138.48410 7.00047 2.63091 -139.18147 895.56752
2790.0000 -146.87243 -139.52923 7.34320 2.66278 -138.68758 911.87371
2795.0000 -146.54059 -138.05957 8.48102 2.64531 -138.95832 911.57654
2800.0000 -144.79655 -138.66605 6.13050 2.69459 -138.19460 946.02311
2805.0000 -146.91579 -139.93895 6.97683 2.64908 -138.89979 940.23288
2810.0000 -147.13248 -140.17565 6.95683 2.57996 -139.97095 887.34534
2815.0000 -148.21056 -140.48238 7.72818 2.58343 -139.91721 895.17225
2820.0000 -147.76681 -141.03721 6.72960 2.47036 -141.66926 819.68517
2825.0000 -146.88018 -139.59142 7.28876 2.54269 -140.54852 852.65146
2830.0000 -148.08678 -140.42914 7.65764 2.56009 -140.27885 874.11388
2835.0000 -146.23451 -139.37782 6.85668 2.63010 -139.19393 912.18527
2840.0000 -147.28851 -139.82986 7.45864 2.63650 -139.09475 931.22692
2845.0000 -146.93736 -139.37146 7.56590 2.58317 -139.92119 897.96753
2850.0000 -145.82454 -137.83893 7.98562 2.66448 -138.66112 942.91691
2855.0000 -144.78726 -137.51556 7.27170 2.72372 -137.74324 979.43090
2860.0000 -145.39818 -139.59945 5.79872 2.71457 -137.88503 974.54751
2865.0000 -142.90309 -136.20957 6.69352 2.72100 -137.78530 974.05518
2870.0000 -145.73414 -138.58247 7.15167 2.73323 -137.59591 999.85473
2875.0000 -148.55537 -142.04709 6.50828 2.58201 -139.93915 886.79330
2880.0000 -147.83461 -140.50199 7.33262 2.50275 -141.16740 832.41978
2885.0000 -148.82217 -142.16089 6.66128 2.48438 -141.45206 826.86427
2890.0000 -145.92779 -140.86307 5.06472 2.51240 -141.01779 821.82575
2895.0000 -147.10450 -139.49099 7.61351 2.61001 -139.50518 904.87705
2900.0000 -145.77859 -139.18591 6.59268 2.59978 -139.66384 884.61825
2905.0000 -145.67912 -140.39564 5.28348 2.66280 -138.68729 931.16766
2910.0000 -147.48401 -141.76117 5.72284 2.53424 -140.67938 823.07545
2915.0000 -147.75572 -140.93447 6.82124 2.48527 -141.43820 819.55719
2920.0000 -146.56567 -140.23065 6.33502 2.59130 -139.79523 885.87300
2925.0000 -147.05354 -139.32913 7.72441 2.62725 -139.23806 907.87279
2930.0000 -146.46976 -139.47695 6.99281 2.59862 -139.68180 907.46789
2935.0000 -148.24873 -140.36545 7.88328 2.57437 -140.05746 898.78166
2940.0000 -145.64370 -140.12357 5.52013 2.55051 -140.42732 845.49294
2945.0000 -148.09237 -141.36553 6.72685 2.54140 -140.56843 873.41223
2950.0000 -147.44909 -140.26245 7.18664 2.53449 -140.67550 871.34340
2955.0000 -149.10258 -142.82278 6.27980 2.47709 -141.56504 794.59021
2960.0000 -147.42941 -140.63369 6.79571 2.48000 -141.51990 814.80707
2965.0000 -148.10074 -140.06727 8.03347 2.53567 -140.65729 873.80819
2970.0000 -146.05007 -138.25477 7.79530 2.64155 -139.01646 907.32481
2975.0000 -144.10912 -138.04115 6.06797 2.69589 -138.17447 939.78950
2980.0000 -146.33892 -139.50229 6.83663 2.61488 -139.42976 894.62958
2985.0000 -146.78401 -140.86548 5.91853 2.62507 -139.27189 887.87924
2990.0000 -147.47396 -140.50903 6.96493 2.49707 -141.25545 785.37835
2995.0000 -146.05340 -138.93208 7.12132 2.62960 -139.20165 903.37711
3000.0000 -145.21856 -138.75723 6.46133 2.66680 -138.62517 933.39747
FREEZING PROCESS: loop number 13 T-loop= 857.00000000000000
main_MD> interactions number 13 at Temperature= 857.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44489 -0.18823 2.10491
force_rgl> df(natom) 5.06540 -3.35014 1.28321
3005.0000 -148.18561 -142.04697 6.13864 2.51326 -141.00451 821.01550
3010.0000 -146.90836 -141.95921 4.94914 2.41601 -142.51153 746.39916
3015.0000 -147.26026 -140.92142 6.33884 2.51813 -140.92907 825.56109
3020.0000 -146.54333 -139.73523 6.80810 2.57991 -139.97172 878.56674
3025.0000 -148.26754 -142.15892 6.10861 2.47951 -141.52748 842.24575
3030.0000 -148.48975 -140.27174 8.21801 2.47598 -141.58222 807.84212
3035.0000 -145.62420 -139.28413 6.34007 2.57256 -140.08561 863.26586
3040.0000 -147.39404 -140.81921 6.57483 2.57326 -140.07474 852.79308
3045.0000 -147.08162 -140.57481 6.50681 2.55050 -140.42738 854.72445
3050.0000 -148.22253 -142.02483 6.19770 2.47611 -141.58020 803.33139
3055.0000 -148.32996 -142.90195 5.42801 2.44956 -141.99155 812.21491
3060.0000 -148.10690 -141.90480 6.20211 2.44206 -142.10787 798.10376
3065.0000 -147.26408 -139.99490 7.26918 2.47225 -141.63995 791.05019
3070.0000 -146.90376 -140.63226 6.27150 2.57025 -140.12145 864.37648
3075.0000 -147.31611 -140.98239 6.33372 2.46775 -141.70977 826.35387
3080.0000 -147.35466 -140.11136 7.24330 2.50296 -141.16407 813.23403
3085.0000 -147.68525 -141.40252 6.28273 2.53694 -140.63757 839.98751
3090.0000 -147.48526 -141.46532 6.01994 2.46166 -141.80414 772.82781
3095.0000 -146.58073 -139.57796 7.00276 2.53638 -140.64616 845.87834
3100.0000 -145.42725 -139.29762 6.12963 2.61552 -139.41990 866.59042
3105.0000 -147.26385 -140.10719 7.15667 2.61178 -139.47782 859.32139
3110.0000 -146.79689 -139.20989 7.58700 2.59848 -139.68392 894.86887
3115.0000 -146.79512 -138.49713 8.29799 2.61371 -139.44796 931.90805
3120.0000 -147.15687 -140.25183 6.90503 2.62194 -139.32047 868.68824
3125.0000 -148.82413 -141.83964 6.98450 2.57241 -140.08798 859.68776
3130.0000 -149.19744 -142.68939 6.50805 2.42607 -142.35558 786.35673
3135.0000 -147.15449 -139.99778 7.15671 2.44844 -142.00895 778.07204
3140.0000 -146.33180 -139.82300 6.50880 2.59383 -139.75594 868.71966
3145.0000 -147.01315 -140.58330 6.42986 2.59023 -139.81180 867.33553
3150.0000 -146.68573 -138.86172 7.82401 2.56359 -140.22459 888.39384
3155.0000 -145.95140 -139.23639 6.71501 2.66505 -138.65232 942.20973
3160.0000 -146.78428 -139.56597 7.21831 2.68685 -138.31455 942.42764
3165.0000 -147.65198 -141.38613 6.26585 2.53900 -140.60560 849.80736
3170.0000 -147.78027 -140.66388 7.11639 2.48708 -141.41022 808.95638
3175.0000 -147.76095 -142.11967 5.64128 2.47062 -141.66525 789.67241
3180.0000 -147.05853 -140.83137 6.22716 2.49846 -141.23385 836.81333
3185.0000 -147.01848 -139.47588 7.54259 2.57557 -140.03897 855.78399
3190.0000 -147.06659 -140.02603 7.04056 2.59464 -139.74340 846.31120
3195.0000 -147.52797 -141.17950 6.34847 2.58968 -139.82029 888.39359
3200.0000 -147.44321 -140.62954 6.81367 2.50664 -141.10710 811.71663
3205.0000 -146.25902 -139.29704 6.96198 2.60446 -139.59133 889.84722
3210.0000 -147.67665 -139.69127 7.98538 2.63057 -139.18670 896.85178
3215.0000 -146.49307 -140.25582 6.23725 2.57828 -139.99701 879.86585
3220.0000 -147.33933 -141.23651 6.10282 2.51802 -140.93070 813.65714
3225.0000 -148.35346 -141.66547 6.68799 2.50888 -141.07243 830.30469
3230.0000 -146.10532 -139.84758 6.25774 2.49536 -141.28190 819.39361
3235.0000 -146.76880 -139.83146 6.93734 2.56717 -140.16917 908.32260
3240.0000 -146.81748 -139.85229 6.96518 2.60155 -139.63631 912.59425
3245.0000 -146.85291 -139.38252 7.47039 2.62918 -139.20826 912.84366
3250.0000 -146.16459 -139.39377 6.77081 2.63256 -139.15588 949.95267
FREEZING PROCESS: loop number 14 T-loop= 832.00000000000000
main_MD> interactions number 14 at Temperature= 832.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11728 3.26133 -1.20752
force_rgl> df(natom) 5.51624 2.70176 5.50772
3255.0000 -149.14501 -142.04707 7.09794 2.55190 -140.40580 869.84770
3260.0000 -147.59612 -141.09282 6.50329 2.53064 -140.73512 862.45214
3265.0000 -147.81169 -141.43037 6.38131 2.53282 -140.70142 870.65293
3270.0000 -145.53589 -138.71857 6.81732 2.56515 -140.20046 867.19823
3275.0000 -147.22101 -140.29290 6.92812 2.60643 -139.56078 875.47985
3280.0000 -147.86986 -141.56000 6.30986 2.49995 -141.21072 806.40579
3285.0000 -148.68831 -142.46837 6.21993 2.42294 -142.40412 741.08634
3290.0000 -148.48294 -143.27148 5.21146 2.39211 -142.88191 761.74294
3295.0000 -148.87453 -142.58778 6.28674 2.37601 -143.13140 747.45483
3300.0000 -148.25243 -142.00393 6.24851 2.45999 -141.82994 816.33355
3305.0000 -145.48501 -139.80776 5.67725 2.49191 -141.33536 815.87802
3310.0000 -146.32997 -139.71334 6.61663 2.63000 -139.19545 917.75796
3315.0000 -147.77270 -141.68909 6.08362 2.53018 -140.74227 819.71777
3320.0000 -147.59916 -141.96045 5.63871 2.45826 -141.85672 771.59606
3325.0000 -148.04636 -141.12134 6.92502 2.51749 -140.93895 859.53493
3330.0000 -150.01170 -144.22030 5.79141 2.43348 -142.24072 758.44414
3335.0000 -148.97330 -142.59776 6.37554 2.39207 -142.88246 735.81591
3340.0000 -149.21963 -142.95539 6.26424 2.41727 -142.49200 761.84908
3345.0000 -146.96492 -141.27737 5.68755 2.47093 -141.66038 815.70494
3350.0000 -147.89335 -141.59697 6.29639 2.51641 -140.95569 861.65437
3355.0000 -147.54726 -141.55300 5.99426 2.47701 -141.56623 805.06956
3360.0000 -148.50106 -143.07814 5.42292 2.42187 -142.42061 782.26685
3365.0000 -148.69414 -142.33493 6.35921 2.42568 -142.36162 785.22115
3370.0000 -145.82959 -140.41109 5.41851 2.47921 -141.53215 810.50628
3375.0000 -147.30517 -139.46162 7.84356 2.55018 -140.43241 860.48048
3380.0000 -147.84301 -141.04186 6.80115 2.54024 -140.58646 851.57009
3385.0000 -146.67244 -139.92873 6.74371 2.53587 -140.65412 833.24659
3390.0000 -147.86312 -142.42262 5.44051 2.50524 -141.12879 828.63352
3395.0000 -148.84957 -142.29824 6.55133 2.44759 -142.02209 796.60170
3400.0000 -146.89837 -141.45514 5.44323 2.48497 -141.44283 824.00825
3405.0000 -146.18782 -140.24292 5.94490 2.54058 -140.58119 835.89444
3410.0000 -147.39359 -140.55775 6.83585 2.48962 -141.37076 826.37263
3415.0000 -146.31778 -140.86635 5.45143 2.52451 -140.83011 840.70661
3420.0000 -149.12767 -143.86731 5.26036 2.46407 -141.76675 790.96688
3425.0000 -149.44533 -143.36118 6.08415 2.34916 -143.54747 700.73783
3430.0000 -148.46085 -142.49336 5.96749 2.39335 -142.86266 750.00943
3435.0000 -148.71970 -142.48611 6.23359 2.40975 -142.60848 773.26438
3440.0000 -147.44257 -141.35879 6.08378 2.43119 -142.27624 762.24489
3445.0000 -147.21787 -140.88508 6.33279 2.49645 -141.26491 829.04842
3450.0000 -148.84772 -142.18866 6.65906 2.50118 -141.19165 803.85377
3455.0000 -147.56493 -140.69204 6.87289 2.48903 -141.37990 839.33947
3460.0000 -147.65384 -140.64500 7.00884 2.54120 -140.57147 851.65208
3465.0000 -147.51386 -140.91127 6.60259 2.52983 -140.74766 831.44705
3470.0000 -147.16007 -139.48467 7.67540 2.55067 -140.42481 888.51064
3475.0000 -147.13076 -139.35394 7.77681 2.54519 -140.50971 867.08671
3480.0000 -146.71302 -140.64424 6.06878 2.55078 -140.42309 855.64108
3485.0000 -147.95517 -140.99991 6.95526 2.51317 -141.00597 830.82365
3490.0000 -147.05148 -141.46049 5.59099 2.51395 -140.99380 839.76112
3495.0000 -146.94528 -140.37193 6.57335 2.50431 -141.14312 840.03214
3500.0000 -147.51039 -140.48823 7.02216 2.53887 -140.60766 840.67301
FREEZING PROCESS: loop number 15 T-loop= 807.00000000000000
main_MD> interactions number 15 at Temperature= 807.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.89177 -0.74010 -0.11952
force_rgl> df(natom) -0.71179 -0.21182 -0.39635
3505.0000 -146.89155 -140.65728 6.23428 2.52693 -140.79265 854.65373
3510.0000 -148.41798 -143.05880 5.35918 2.47004 -141.67426 817.55291
3515.0000 -147.04184 -140.10433 6.93751 2.51342 -141.00205 821.70296
3520.0000 -147.60903 -141.22114 6.38789 2.48876 -141.38409 820.45339
3525.0000 -147.78861 -141.21530 6.57330 2.53328 -140.69434 819.71564
3530.0000 -144.11356 -137.03624 7.07732 2.68717 -138.30958 951.78277
3535.0000 -147.13383 -140.06374 7.07009 2.64579 -138.95087 921.04165
3540.0000 -148.91008 -142.29099 6.61909 2.47099 -141.65945 826.64564
3545.0000 -148.57291 -142.70789 5.86502 2.44405 -142.07700 790.37566
3550.0000 -148.97658 -142.09283 6.88375 2.46705 -141.72056 800.60780
3555.0000 -147.20949 -140.31219 6.89730 2.51193 -141.02515 838.72314
3560.0000 -148.04663 -141.90528 6.14136 2.51824 -140.92726 837.50419
3565.0000 -148.31721 -142.08377 6.23344 2.44969 -141.98952 759.56746
3570.0000 -148.34827 -142.03723 6.31105 2.44206 -142.10774 795.60434
3575.0000 -148.04580 -141.52895 6.51685 2.47061 -141.66546 816.44378
3580.0000 -148.46577 -143.04663 5.41915 2.46079 -141.81753 788.29658
3585.0000 -147.78466 -141.92340 5.86126 2.47715 -141.56406 808.89926
3590.0000 -148.35263 -142.22986 6.12278 2.44395 -142.07849 784.61209
3595.0000 -148.40198 -142.36467 6.03732 2.45136 -141.96377 794.04355
3600.0000 -149.83132 -142.66623 7.16509 2.43858 -142.16177 792.72986
3605.0000 -147.86351 -140.97368 6.88982 2.42018 -142.44694 784.09973
3610.0000 -148.40536 -141.50351 6.90185 2.48350 -141.46572 807.41339
3615.0000 -148.07721 -141.09564 6.98156 2.45829 -141.85625 802.98226
3620.0000 -149.63651 -142.82233 6.81418 2.43187 -142.26573 765.13927
3625.0000 -148.59949 -143.34379 5.25570 2.40897 -142.62059 757.15843
3630.0000 -150.11171 -143.44312 6.66859 2.42442 -142.38120 791.65576
3635.0000 -149.46680 -143.34722 6.11958 2.34508 -143.61060 731.83626
3640.0000 -149.87079 -143.27002 6.60077 2.34295 -143.64361 698.43101
3645.0000 -147.93557 -141.70645 6.22911 2.44749 -142.02364 759.98698
3650.0000 -148.59560 -143.70596 4.88964 2.37709 -143.11459 747.04976
3655.0000 -149.31226 -143.22033 6.09193 2.38010 -143.06796 744.92226
3660.0000 -148.17364 -143.00833 5.16531 2.40503 -142.68156 722.30063
3665.0000 -147.24963 -140.66783 6.58181 2.42707 -142.34016 775.61116
3670.0000 -148.20057 -141.10613 7.09444 2.53584 -140.65459 864.41880
3675.0000 -147.79950 -141.10029 6.69921 2.52050 -140.89233 822.01067
3680.0000 -146.79523 -139.51077 7.28446 2.55488 -140.35955 863.43787
3685.0000 -144.88934 -138.00642 6.88292 2.68137 -138.39947 951.39149
3690.0000 -147.70121 -139.93996 7.76125 2.61101 -139.48974 898.82165
3695.0000 -147.88378 -141.39989 6.48389 2.51518 -140.97473 829.38333
3700.0000 -148.37419 -141.57441 6.79978 2.48637 -141.42114 822.17909
3705.0000 -146.63894 -140.80738 5.83155 2.48599 -141.42701 788.48423
3710.0000 -145.97051 -138.48866 7.48184 2.56188 -140.25111 847.03945
3715.0000 -146.48615 -140.22759 6.25856 2.57875 -139.98962 860.31899
3720.0000 -149.32141 -143.79998 5.52144 2.48051 -141.51197 804.96803
3725.0000 -147.70558 -142.34456 5.36101 2.34570 -143.60106 686.34092
3730.0000 -148.36280 -142.78999 5.57282 2.44110 -142.12267 757.24339
3735.0000 -147.86360 -141.40610 6.45751 2.42932 -142.30516 764.71180
3740.0000 -148.61933 -142.50359 6.11574 2.42985 -142.29703 778.50040
3745.0000 -148.62976 -141.73689 6.89287 2.46586 -141.73894 807.08226
3750.0000 -147.35150 -139.21459 8.13691 2.56449 -140.21059 875.99530
FREEZING PROCESS: loop number 16 T-loop= 782.00000000000000
main_MD> interactions number 16 at Temperature= 782.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23943 -1.42462 -0.46226
force_rgl> df(natom) 1.02782 1.53099 -1.32487
3755.0000 -148.11678 -140.08400 8.03279 2.63776 -139.07521 908.20129
3760.0000 -147.44294 -140.83547 6.60747 2.57948 -139.97831 869.46122
3765.0000 -149.12445 -142.08377 7.04068 2.48899 -141.38059 798.10763
3770.0000 -147.85585 -142.84838 5.00746 2.38882 -142.93280 741.09432
3775.0000 -147.41678 -141.80158 5.61520 2.40503 -142.68160 749.40182
3780.0000 -148.99544 -142.69291 6.30254 2.40347 -142.70574 750.01458
3785.0000 -149.00371 -143.86634 5.13737 2.40074 -142.74815 739.80137
3790.0000 -148.64400 -141.87693 6.76707 2.39560 -142.82769 754.87785
3795.0000 -148.67829 -143.25911 5.41918 2.41951 -142.45731 775.01724
3800.0000 -147.07854 -141.93733 5.14122 2.42489 -142.37388 774.36983
3805.0000 -148.73486 -141.98803 6.74683 2.47802 -141.55053 817.46788
3810.0000 -149.26466 -142.91178 6.35287 2.41465 -142.53258 798.93845
3815.0000 -148.45285 -142.36487 6.08798 2.39084 -142.90154 748.04650
3820.0000 -148.67951 -142.88866 5.79085 2.40610 -142.66500 748.08873
3825.0000 -149.14705 -143.07870 6.06834 2.41558 -142.51810 762.98492
3830.0000 -147.65453 -141.09191 6.56262 2.47522 -141.59397 780.02625
3835.0000 -147.30879 -139.98713 7.32166 2.49739 -141.25034 829.70013
3840.0000 -147.87065 -140.17743 7.69322 2.57725 -140.01291 873.12250
3845.0000 -147.07625 -140.98620 6.09006 2.57512 -140.04590 856.99934
3850.0000 -147.39285 -141.64095 5.75189 2.49757 -141.24761 805.96570
3855.0000 -148.00817 -142.12368 5.88449 2.44594 -142.04763 762.68121
3860.0000 -148.55169 -142.10454 6.44715 2.42621 -142.35350 765.74451
3865.0000 -148.97508 -142.95636 6.01872 2.40080 -142.74714 735.51795
3870.0000 -148.47176 -142.76793 5.70383 2.43676 -142.19000 785.25575
3875.0000 -147.22154 -140.90965 6.31189 2.43709 -142.18487 783.18983
3880.0000 -148.54327 -141.72963 6.81364 2.54748 -140.47424 866.25651
3885.0000 -146.91670 -141.02358 5.89312 2.48016 -141.51749 784.53824
3890.0000 -146.89122 -140.41239 6.47883 2.51321 -141.00522 816.54016
3895.0000 -147.76643 -140.94776 6.81866 2.50656 -141.10839 810.92575
3900.0000 -149.26496 -143.44412 5.82084 2.43007 -142.29356 795.29091
3905.0000 -148.69033 -143.88632 4.80401 2.35030 -143.52969 732.97223
3910.0000 -149.09716 -143.83959 5.25757 2.35659 -143.43220 708.38623
3915.0000 -147.90483 -143.71324 4.19159 2.33317 -143.79512 710.13635
3920.0000 -147.70381 -141.96742 5.73639 2.41297 -142.55853 748.68623
3925.0000 -149.05554 -141.96155 7.09399 2.40352 -142.70509 759.95117
3930.0000 -148.90985 -142.88931 6.02054 2.40288 -142.71495 752.95943
3935.0000 -148.26726 -142.87714 5.39012 2.41238 -142.56767 759.51319
3940.0000 -149.48197 -144.16672 5.31525 2.37602 -143.13116 715.76753
3945.0000 -149.13344 -143.48566 5.64778 2.34279 -143.64610 707.87298
3950.0000 -149.20351 -143.73420 5.46931 2.36965 -143.22985 732.99961
3955.0000 -149.03590 -142.07109 6.96481 2.40125 -142.74017 774.63729
3960.0000 -148.30057 -142.23810 6.06247 2.43268 -142.25310 791.12912
3965.0000 -148.26300 -142.49030 5.77270 2.42217 -142.41597 767.18979
3970.0000 -148.62260 -143.89986 4.72274 2.35841 -143.40402 738.23898
3975.0000 -150.03314 -144.16919 5.86395 2.30800 -144.18521 715.19035
3980.0000 -146.96818 -140.18821 6.77997 2.39306 -142.86719 794.21906
3985.0000 -148.94514 -142.39438 6.55076 2.42757 -142.33239 803.08990
3990.0000 -148.07121 -143.06499 5.00622 2.39234 -142.87823 763.45226
3995.0000 -148.43752 -142.18596 6.25155 2.43563 -142.20750 786.92032
4000.0000 -148.74824 -142.56235 6.18589 2.39069 -142.90380 750.56557
FREEZING PROCESS: loop number 17 T-loop= 757.00000000000000
main_MD> interactions number 17 at Temperature= 757.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35195 1.33371 -2.28851
force_rgl> df(natom) -1.38662 -1.66553 -2.70928
4005.0000 -148.38507 -142.33757 6.04750 2.38148 -143.04653 738.43651
4010.0000 -149.05266 -143.14623 5.90643 2.41006 -142.60366 753.09175
4015.0000 -149.35682 -143.53977 5.81705 2.39981 -142.76245 749.76911
4020.0000 -149.51878 -142.67901 6.83977 2.37880 -143.08816 747.22785
4025.0000 -150.37243 -144.95292 5.41950 2.31080 -144.14175 728.12876
4030.0000 -150.27783 -144.71289 5.56495 2.25429 -145.01757 643.79521
4035.0000 -148.94758 -143.31706 5.63053 2.31874 -144.01874 693.00844
4040.0000 -147.45161 -141.54490 5.90672 2.39079 -142.90235 757.78995
4045.0000 -148.75655 -143.14396 5.61259 2.45639 -141.88579 787.93463
4050.0000 -149.02905 -143.90380 5.12526 2.33441 -143.77599 687.48609
4055.0000 -149.36221 -143.38902 5.97319 2.36629 -143.28190 742.99854
4060.0000 -149.35938 -144.43091 4.92847 2.35074 -143.52295 726.77152
4065.0000 -149.60200 -144.66514 4.93686 2.28569 -144.53099 665.63913
4070.0000 -149.64388 -144.44588 5.19800 2.30343 -144.25601 692.35730
4075.0000 -150.06536 -145.19621 4.86915 2.27334 -144.72236 656.27203
4080.0000 -149.96508 -144.57233 5.39275 2.25029 -145.07950 663.67294
4085.0000 -149.48613 -143.76804 5.71809 2.33317 -143.79510 716.24200
4090.0000 -149.44600 -143.48671 5.95929 2.33543 -143.76022 723.00291
4095.0000 -148.78288 -142.97698 5.80591 2.42894 -142.31105 761.96175
4100.0000 -149.14984 -142.35568 6.79415 2.39892 -142.77632 735.38846
4105.0000 -148.04477 -141.48010 6.56467 2.42884 -142.31270 776.65280
4110.0000 -147.85285 -141.57865 6.27419 2.45931 -141.84054 813.57535
4115.0000 -150.12620 -144.44347 5.68273 2.36323 -143.32931 742.21976
4120.0000 -149.15805 -142.34541 6.81264 2.39048 -142.90703 738.90228
4125.0000 -147.98127 -141.78107 6.20020 2.44588 -142.04865 790.26054
4130.0000 -148.69679 -143.86640 4.83039 2.38965 -142.91993 735.43871
4135.0000 -149.42433 -144.53671 4.88763 2.33825 -143.71644 704.30382
4140.0000 -149.94948 -143.92818 6.02130 2.30436 -144.24164 683.73031
4145.0000 -148.25326 -140.89037 7.36290 2.45351 -141.93035 811.12923
4150.0000 -146.31520 -140.98804 5.32717 2.53483 -140.67019 819.22606
4155.0000 -148.25472 -141.37593 6.87879 2.51963 -140.90585 823.02466
4160.0000 -147.58475 -141.18260 6.40215 2.53290 -140.70014 869.39558
4165.0000 -148.40806 -142.49163 5.91643 2.45454 -141.91441 782.62434
4170.0000 -148.86654 -142.61874 6.24779 2.39497 -142.83747 719.85152
4175.0000 -148.35690 -142.39786 5.95904 2.45946 -141.83818 779.01531
4180.0000 -148.70509 -142.85221 5.85288 2.40393 -142.69865 760.87815
4185.0000 -148.80832 -142.58995 6.21837 2.38715 -142.95863 735.72249
4190.0000 -149.25936 -142.75645 6.50291 2.42236 -142.41312 777.31478
4195.0000 -149.86103 -143.13561 6.72542 2.39389 -142.85433 781.93668
4200.0000 -149.46546 -143.53902 5.92644 2.36440 -143.31122 730.41256
4205.0000 -148.25726 -142.95766 5.29960 2.38928 -142.92570 737.19051
4210.0000 -149.56335 -143.67520 5.88814 2.38435 -143.00203 729.11633
4215.0000 -150.10005 -144.59414 5.50591 2.27190 -144.74464 667.50651
4220.0000 -150.06929 -143.80132 6.26798 2.32238 -143.96236 688.07138
4225.0000 -149.11170 -143.68911 5.42259 2.33993 -143.69047 724.51197
4230.0000 -148.53892 -142.03059 6.50833 2.36148 -143.35651 724.99064
4235.0000 -147.16343 -141.99310 5.17033 2.42966 -142.30002 778.80178
4240.0000 -147.82374 -142.69875 5.12499 2.45604 -141.89119 783.02357
4245.0000 -148.66873 -144.13141 4.53733 2.34212 -143.65646 698.54774
4250.0000 -150.05798 -143.33065 6.72733 2.37401 -143.16227 754.59583
FREEZING PROCESS: loop number 18 T-loop= 732.00000000000000
main_MD> interactions number 18 at Temperature= 732.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46988 1.26895 -0.26039
force_rgl> df(natom) -2.07214 -0.55710 1.35621
4255.0000 -149.44162 -143.26587 6.17575 2.34621 -143.59309 725.72708
4260.0000 -149.69978 -144.31418 5.38560 2.32596 -143.90684 699.68710
4265.0000 -149.20351 -142.88515 6.31836 2.35025 -143.53045 716.52632
4270.0000 -149.13951 -143.02254 6.11697 2.37728 -143.11168 756.92318
4275.0000 -148.58993 -142.67349 5.91644 2.36623 -143.28280 701.60488
4280.0000 -149.51061 -143.10380 6.40681 2.38353 -143.01479 752.53169
4285.0000 -149.57323 -144.11217 5.46106 2.31755 -144.03727 717.04481
4290.0000 -150.74178 -145.85591 4.88588 2.25896 -144.94519 660.40060
4295.0000 -149.86624 -144.50901 5.35723 2.23894 -145.25538 643.07388
4300.0000 -148.24708 -142.65864 5.58844 2.37688 -143.11784 735.12306
4305.0000 -148.69268 -142.78819 5.90450 2.41301 -142.55801 741.95325
4310.0000 -149.36444 -143.57777 5.78667 2.35792 -143.41166 708.17791
4315.0000 -149.73259 -143.45241 6.28017 2.36879 -143.24321 755.00009
4320.0000 -149.48906 -143.65024 5.83882 2.34954 -143.54151 723.45214
4325.0000 -150.44338 -144.55871 5.88467 2.31864 -144.02039 714.17943
4330.0000 -149.90166 -143.76584 6.13581 2.32645 -143.89936 717.03084
4335.0000 -148.03377 -143.24265 4.79113 2.34316 -143.64029 727.88142
4340.0000 -149.70262 -144.76104 4.94158 2.31070 -144.14335 714.99960
4345.0000 -150.32321 -144.31412 6.00909 2.26605 -144.83521 682.92398
4350.0000 -149.65511 -143.64900 6.00612 2.35214 -143.50121 721.79977
4355.0000 -149.55814 -144.39850 5.15964 2.33604 -143.75077 702.96586
4360.0000 -150.27424 -144.78896 5.48527 2.30086 -144.29580 682.38033
4365.0000 -148.30968 -143.45253 4.85715 2.32302 -143.95253 702.85064
4370.0000 -149.90758 -144.37723 5.53035 2.33392 -143.78359 680.96515
4375.0000 -150.14077 -144.72152 5.41926 2.26159 -144.90432 639.01670
4380.0000 -149.83256 -144.01241 5.82016 2.31011 -144.15256 700.57154
4385.0000 -149.43051 -143.43106 5.99945 2.36640 -143.28021 739.52620
4390.0000 -149.09164 -143.41975 5.67189 2.40294 -142.71407 750.18883
4395.0000 -148.71095 -142.46241 6.24854 2.42619 -142.35369 778.58348
4400.0000 -148.23011 -142.10127 6.12884 2.48456 -141.44917 833.59276
4405.0000 -148.98253 -142.35290 6.62962 2.40144 -142.73731 763.37261
4410.0000 -148.52710 -142.84815 5.67895 2.39972 -142.76391 784.47732
4415.0000 -148.67865 -142.85075 5.82790 2.43401 -142.23259 777.73143
4420.0000 -148.27297 -142.08870 6.18427 2.42255 -142.41016 801.54584
4425.0000 -148.17755 -140.39040 7.78715 2.47566 -141.58709 826.77561
4430.0000 -148.59997 -141.43807 7.16189 2.51479 -140.98082 855.93459
4435.0000 -148.62277 -142.90723 5.71554 2.41436 -142.53701 757.73850
4440.0000 -148.70051 -142.91039 5.79012 2.36420 -143.31437 746.15653
4445.0000 -149.05712 -142.23358 6.82354 2.42813 -142.32366 774.89278
4450.0000 -148.55279 -142.33561 6.21718 2.43612 -142.19993 802.40619
4455.0000 -149.32377 -143.51168 5.81208 2.40334 -142.70781 749.72262
4460.0000 -148.68253 -142.86620 5.81633 2.34394 -143.62823 720.23666
4465.0000 -148.12234 -143.02460 5.09775 2.35696 -143.42650 712.86514
4470.0000 -149.80871 -143.06753 6.74117 2.40487 -142.68413 770.27500
4475.0000 -149.28872 -143.81939 5.46934 2.33626 -143.74728 718.12214
4480.0000 -148.54635 -142.81920 5.72716 2.36066 -143.36924 725.42886
4485.0000 -148.00680 -142.66518 5.34162 2.40879 -142.62337 719.99628
4490.0000 -148.42674 -142.51036 5.91638 2.42214 -142.41646 778.60723
4495.0000 -149.52911 -144.56583 4.96328 2.35309 -143.48645 721.67699
4500.0000 -149.32226 -143.49518 5.82708 2.31466 -144.08206 721.40896
FREEZING PROCESS: loop number 19 T-loop= 707.00000000000000
main_MD> interactions number 19 at Temperature= 707.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84547 -3.01437 1.13646
force_rgl> df(natom) 0.26864 -1.53342 0.06597
4505.0000 -150.35133 -143.67049 6.68084 2.34252 -143.65033 753.14480
4510.0000 -150.36223 -144.70633 5.65590 2.31254 -144.11487 699.16342
4515.0000 -150.19378 -144.73263 5.46116 2.30580 -144.21926 700.86622
4520.0000 -150.12614 -145.58943 4.53672 2.28657 -144.51734 669.85554
4525.0000 -148.32492 -143.29739 5.02753 2.30072 -144.29805 675.51580
4530.0000 -150.29455 -144.39734 5.89721 2.34924 -143.54614 714.90147
4535.0000 -148.50164 -142.42341 6.07823 2.37389 -143.16424 751.85199
4540.0000 -149.50353 -143.36813 6.13540 2.37767 -143.10565 749.56012
4545.0000 -148.79518 -143.93944 4.85574 2.36744 -143.26419 726.07617
4550.0000 -149.00132 -143.82328 5.17804 2.35176 -143.50706 718.36792
4555.0000 -149.84365 -143.97733 5.86631 2.30998 -144.15446 702.20657
4560.0000 -148.57723 -142.20608 6.37115 2.34277 -143.64637 680.87316
4565.0000 -149.04844 -143.82592 5.22252 2.37990 -143.07098 719.76599
4570.0000 -149.32716 -144.21384 5.11333 2.30489 -144.23342 670.21163
4575.0000 -148.97519 -144.43072 4.54447 2.26664 -144.82605 643.55447
4580.0000 -150.72135 -145.12282 5.59853 2.24652 -145.13794 651.90504
4585.0000 -149.88789 -143.59359 6.29431 2.25116 -145.06599 644.98695
4590.0000 -148.24602 -142.53990 5.70612 2.42812 -142.32376 792.05092
4595.0000 -148.34075 -142.23980 6.10096 2.42289 -142.40488 767.51481
4600.0000 -148.07364 -141.82738 6.24626 2.42390 -142.38919 772.16956
4605.0000 -148.90426 -143.46936 5.43489 2.39270 -142.87273 773.31942
4610.0000 -148.23252 -143.22524 5.00728 2.37255 -143.18496 721.78783
4615.0000 -149.45665 -144.01020 5.44646 2.34635 -143.59090 705.84084
4620.0000 -149.25682 -143.74946 5.50736 2.35740 -143.41971 732.39578
4625.0000 -150.55905 -145.41666 5.14239 2.30057 -144.30028 684.23055
4630.0000 -150.21370 -145.22336 4.99034 2.24242 -145.20151 649.48088
4635.0000 -150.55949 -144.94529 5.61420 2.26284 -144.88506 651.85597
4640.0000 -149.02592 -143.93632 5.08960 2.29025 -144.46019 676.79021
4645.0000 -149.14564 -143.90593 5.23971 2.30371 -144.25171 680.57107
4650.0000 -149.96608 -143.08569 6.88039 2.34073 -143.67805 732.50242
4655.0000 -148.48165 -142.85241 5.62924 2.40784 -142.63801 753.70459
4660.0000 -150.57759 -143.59721 6.98038 2.32789 -143.87703 716.58612
4665.0000 -150.31078 -144.80937 5.50142 2.29015 -144.46181 694.91045
4670.0000 -149.64694 -143.73794 5.90900 2.29301 -144.41750 723.37629
4675.0000 -148.62563 -142.60357 6.02205 2.36109 -143.36257 742.33799
4680.0000 -149.37640 -142.92066 6.45574 2.39296 -142.86859 767.05621
4685.0000 -149.04596 -143.08392 5.96204 2.36901 -143.23987 742.78858
4690.0000 -149.84910 -145.08941 4.75969 2.29482 -144.38945 679.78098
4695.0000 -150.42230 -144.10013 6.32216 2.28512 -144.53982 674.11148
4700.0000 -148.43943 -143.30949 5.12994 2.35318 -143.48513 727.12363
4705.0000 -149.53383 -144.34237 5.19146 2.35579 -143.44470 727.01515
4710.0000 -149.87854 -145.04167 4.83687 2.26487 -144.85356 649.38569
4715.0000 -148.60894 -143.73326 4.87567 2.30233 -144.27300 686.26066
4720.0000 -148.76279 -143.32982 5.43297 2.39086 -142.90120 707.67811
4725.0000 -149.94804 -143.87114 6.07691 2.36842 -143.24901 726.53806
4730.0000 -149.49611 -143.88368 5.61243 2.35683 -143.42858 707.11152
4735.0000 -149.29843 -144.58641 4.71202 2.38738 -142.95508 720.65412
4740.0000 -150.93102 -144.91371 6.01731 2.26261 -144.88850 657.31842
4745.0000 -150.01087 -143.66608 6.34478 2.31527 -144.07261 709.65965
4750.0000 -150.71013 -144.39319 6.31694 2.29620 -144.36804 693.98091
FREEZING PROCESS: loop number 20 T-loop= 682.00000000000000
main_MD> interactions number 20 at Temperature= 682.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82227 0.56804 1.60779
force_rgl> df(natom) 1.97015 1.00704 -0.27603
4755.0000 -150.18213 -144.10336 6.07877 2.30855 -144.17661 687.38750
4760.0000 -149.35449 -144.50089 4.85360 2.29742 -144.34920 672.19495
4765.0000 -149.20933 -143.84057 5.36876 2.28571 -144.53066 677.47987
4770.0000 -149.28450 -143.20014 6.08436 2.35133 -143.51372 735.86726
4775.0000 -150.43768 -145.14521 5.29247 2.27977 -144.62271 678.88835
4780.0000 -149.55949 -144.53926 5.02023 2.28597 -144.52661 676.99568
4785.0000 -148.85307 -143.86183 4.99124 2.37385 -143.16481 705.55896
4790.0000 -150.56157 -144.66919 5.89238 2.33606 -143.75043 676.87149
4795.0000 -148.52974 -143.41016 5.11957 2.29838 -144.33423 685.20535
4800.0000 -149.41415 -142.16235 7.25180 2.35686 -143.42813 742.95596
4805.0000 -149.82959 -143.71557 6.11402 2.32724 -143.88703 717.68152
4810.0000 -148.68658 -144.22602 4.46056 2.27525 -144.69277 661.93322
4815.0000 -150.66666 -145.04212 5.62454 2.29289 -144.41934 686.36651
4820.0000 -150.14554 -144.03648 6.10906 2.29201 -144.43303 678.15996
4825.0000 -151.30109 -146.08235 5.21875 2.28810 -144.49357 695.86633
4830.0000 -150.90775 -144.75596 6.15180 2.22481 -145.47439 668.53799
4835.0000 -150.29116 -144.92842 5.36274 2.24047 -145.23168 635.58599
4840.0000 -149.88488 -143.91578 5.96911 2.29466 -144.39199 683.43869
4845.0000 -150.78939 -146.11433 4.67506 2.21439 -145.63581 611.20535
4850.0000 -150.71035 -145.24046 5.46989 2.21625 -145.60699 627.23234
4855.0000 -150.42638 -144.93975 5.48662 2.22491 -145.47274 636.04275
4860.0000 -149.83379 -144.13404 5.69975 2.27087 -144.76052 686.63746
4865.0000 -150.35261 -145.36125 4.99136 2.24129 -145.21892 661.95301
4870.0000 -150.68917 -145.17769 5.51148 2.21267 -145.66249 627.46727
4875.0000 -149.54065 -144.49628 5.04437 2.23468 -145.32141 661.77461
4880.0000 -150.07906 -145.79254 4.28652 2.26266 -144.88776 688.73087
4885.0000 -150.46387 -145.61802 4.84585 2.19538 -145.93038 614.26785
4890.0000 -150.29153 -145.00935 5.28217 2.24997 -145.08443 668.12446
4895.0000 -150.02476 -144.76294 5.26183 2.26356 -144.87379 693.80698
4900.0000 -150.15908 -144.90653 5.25255 2.28748 -144.50321 684.85428
4905.0000 -149.48743 -144.20496 5.28247 2.28323 -144.56905 667.60200
4910.0000 -149.87668 -144.13636 5.74032 2.29387 -144.40410 678.70172
4915.0000 -149.94832 -144.71607 5.23225 2.30080 -144.29684 699.83112
4920.0000 -149.71502 -145.12871 4.58631 2.28108 -144.60240 682.16273
4925.0000 -151.46605 -145.95943 5.50663 2.20880 -145.72243 617.01773
4930.0000 -149.52674 -143.91280 5.61394 2.28188 -144.58989 671.33331
4935.0000 -149.84488 -145.16345 4.68143 2.28388 -144.55905 693.97659
4940.0000 -150.33836 -145.18120 5.15716 2.22702 -145.44004 640.98404
4945.0000 -149.52639 -144.23021 5.29618 2.26163 -144.90378 665.14974
4950.0000 -150.67880 -145.07903 5.59977 2.26069 -144.91839 649.44743
4955.0000 -149.94908 -144.31519 5.63390 2.28019 -144.61621 667.57329
4960.0000 -149.33962 -143.88720 5.45242 2.34719 -143.57797 728.15422
4965.0000 -150.41354 -144.60032 5.81322 2.29965 -144.31456 674.45535
4970.0000 -148.81928 -143.36672 5.45256 2.32194 -143.96923 671.52029
4975.0000 -148.62560 -143.27178 5.35382 2.31562 -144.06713 665.01104
4980.0000 -149.25735 -143.54532 5.71202 2.37813 -143.09842 712.60417
4985.0000 -148.81874 -143.47844 5.34030 2.37272 -143.18223 748.31874
4990.0000 -149.46877 -144.49906 4.96971 2.28556 -144.53288 674.92639
4995.0000 -149.38586 -143.87504 5.51082 2.28392 -144.55832 663.76140
5000.0000 -149.92783 -143.74516 6.18267 2.30816 -144.18268 704.12555
FREEZING PROCESS: loop number 21 T-loop= 657.00000000000000
main_MD> interactions number 21 at Temperature= 657.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86447 -0.38959 0.57422
force_rgl> df(natom) 1.91888 -0.46702 1.18207
5005.0000 -149.95660 -144.03085 5.92575 2.28569 -144.53092 664.84450
5010.0000 -150.45506 -144.42053 6.03453 2.28356 -144.56393 660.76076
5015.0000 -149.91377 -144.67031 5.24345 2.28884 -144.48212 703.55994
5020.0000 -151.19149 -146.26438 4.92711 2.25899 -144.94474 673.76441
5025.0000 -149.83577 -145.25739 4.57838 2.18860 -146.03546 601.99064
5030.0000 -150.68256 -145.18898 5.49359 2.20796 -145.73543 589.06627
5035.0000 -150.91844 -145.73826 5.18018 2.19337 -145.96147 601.44726
5040.0000 -150.10024 -145.55367 4.54657 2.17678 -146.21855 608.88981
5045.0000 -149.22762 -143.98405 5.24357 2.21181 -145.67582 624.02154
5050.0000 -149.19430 -144.61256 4.58173 2.30895 -144.17041 690.14083
5055.0000 -149.75761 -143.89919 5.85843 2.32995 -143.84500 700.10733
5060.0000 -149.30423 -144.07114 5.23310 2.33364 -143.78784 729.47836
5065.0000 -150.77782 -144.70929 6.06853 2.27023 -144.77054 678.41160
5070.0000 -150.55557 -145.26559 5.28998 2.23893 -145.25550 683.03983
5075.0000 -150.35201 -145.48014 4.87187 2.23088 -145.38019 645.04851
5080.0000 -150.23540 -145.25922 4.97618 2.20592 -145.76705 640.06677
5085.0000 -150.22528 -145.68742 4.53786 2.21756 -145.58672 615.06074
5090.0000 -149.62218 -145.30591 4.31627 2.25579 -144.99430 640.72214
5095.0000 -149.75285 -145.51362 4.23923 2.27126 -144.75459 645.41859
5100.0000 -150.68305 -145.91797 4.76507 2.22783 -145.42754 619.16019
5105.0000 -149.71006 -144.09346 5.61660 2.24927 -145.09535 638.35580
5110.0000 -149.83934 -143.86301 5.97633 2.34759 -143.57166 697.96418
5115.0000 -148.46173 -143.48992 4.97181 2.34133 -143.66870 697.33625
5120.0000 -148.72396 -143.52349 5.20047 2.32989 -143.84602 723.92651
5125.0000 -149.78659 -144.21768 5.56891 2.34224 -143.65465 700.28683
5130.0000 -150.44433 -145.10403 5.34030 2.25627 -144.98682 645.76033
5135.0000 -150.40953 -144.83862 5.57091 2.25423 -145.01839 658.80407
5140.0000 -150.21397 -145.60757 4.60640 2.24886 -145.10160 634.79442
5145.0000 -150.95364 -145.87136 5.08228 2.23173 -145.36706 626.78836
5150.0000 -151.67772 -146.19199 5.48573 2.21377 -145.64536 611.71809
5155.0000 -150.25840 -144.41042 5.84798 2.25996 -144.92965 683.86550
5160.0000 -150.33322 -145.05502 5.27821 2.29750 -144.34785 701.81529
5165.0000 -150.28380 -145.07807 5.20573 2.24277 -145.19596 644.73753
5170.0000 -150.23981 -144.64881 5.59100 2.24999 -145.08408 651.86105
5175.0000 -149.73875 -144.15799 5.58076 2.29572 -144.37547 700.37141
5180.0000 -149.00992 -144.07063 4.93928 2.31951 -144.00683 683.71599
5185.0000 -149.73071 -144.77779 4.95292 2.28214 -144.58600 682.15500
5190.0000 -150.98050 -146.04633 4.93417 2.20017 -145.85614 616.15822
5195.0000 -151.11071 -146.40255 4.70816 2.21457 -145.63295 634.96972
5200.0000 -149.77846 -145.03696 4.74150 2.19178 -145.98615 609.86351
5205.0000 -150.12154 -144.92897 5.19257 2.27456 -144.70336 664.29862
5210.0000 -149.88019 -144.80907 5.07112 2.26336 -144.87694 642.68181
5215.0000 -150.29213 -145.18790 5.10423 2.26576 -144.83981 672.40212
5220.0000 -149.27939 -143.36534 5.91405 2.29365 -144.40757 702.59899
5225.0000 -149.33091 -144.00561 5.32530 2.33263 -143.80351 726.03239
5230.0000 -151.95858 -145.64462 6.31395 2.26644 -144.82924 676.23101
5235.0000 -150.28758 -145.26251 5.02507 2.22499 -145.47152 662.50040
5240.0000 -150.32283 -145.13289 5.18994 2.23845 -145.26294 648.04532
5245.0000 -150.45620 -145.02191 5.43429 2.25242 -145.04649 656.62132
5250.0000 -150.95283 -146.41606 4.53676 2.19293 -145.96838 604.67576
FREEZING PROCESS: loop number 22 T-loop= 632.00000000000000
main_MD> interactions number 22 at Temperature= 632.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13322 -1.18065 -3.44240
force_rgl> df(natom) 1.65994 -0.42403 -0.68391
5255.0000 -150.54590 -146.28965 4.25625 2.18228 -146.13340 610.35412
5260.0000 -151.36605 -146.75713 4.60892 2.13657 -146.84175 573.53337
5265.0000 -150.35196 -146.35859 3.99337 2.17466 -146.25141 607.23068
5270.0000 -151.05109 -146.46360 4.58749 2.17237 -146.28700 580.99654
5275.0000 -151.57775 -146.87337 4.70438 2.14710 -146.67853 576.01027
5280.0000 -151.89282 -147.23082 4.66200 2.11013 -147.25135 554.76623
5285.0000 -151.11642 -146.55042 4.56600 2.12337 -147.04629 554.78182
5290.0000 -150.22701 -145.87552 4.35150 2.17045 -146.31672 574.87108
5295.0000 -149.97150 -145.05344 4.91806 2.22966 -145.39915 627.62129
5300.0000 -150.12141 -144.53575 5.58567 2.30109 -144.29229 691.58743
5305.0000 -150.83311 -144.81406 6.01904 2.31077 -144.14233 693.79010
5310.0000 -149.70418 -144.21487 5.48932 2.29929 -144.32023 683.27341
5315.0000 -149.68976 -144.21480 5.47496 2.28026 -144.61506 653.48357
5320.0000 -149.98007 -145.40656 4.57351 2.28335 -144.56726 661.22011
5325.0000 -149.71735 -145.14422 4.57313 2.26916 -144.78710 642.05818
5330.0000 -150.78130 -145.40658 5.37472 2.21997 -145.54925 628.86437
5335.0000 -151.14895 -146.61227 4.53667 2.19280 -145.97035 618.20007
5340.0000 -149.34157 -144.51406 4.82751 2.21275 -145.66120 646.62401
5345.0000 -151.16225 -146.51769 4.64456 2.24433 -145.17177 678.32788
5350.0000 -151.59244 -146.67164 4.92080 2.14112 -146.77121 590.87193
5355.0000 -150.63503 -145.69874 4.93629 2.15523 -146.55250 592.80719
5360.0000 -152.00464 -145.56861 6.43604 2.23098 -145.37873 650.92848
5365.0000 -151.18724 -145.86938 5.31786 2.20661 -145.75641 628.88249
5370.0000 -150.86403 -146.31402 4.55001 2.20878 -145.72272 622.23657
5375.0000 -151.02161 -146.23050 4.79111 2.21282 -145.66019 628.91553
5380.0000 -150.33775 -145.25567 5.08208 2.23416 -145.32951 650.11788
5385.0000 -149.44701 -143.28338 6.16362 2.33323 -143.79423 715.94501
5390.0000 -151.70782 -145.24950 6.45832 2.30618 -144.21334 709.37853
5395.0000 -150.59045 -145.07282 5.51762 2.21212 -145.67095 638.75656
5400.0000 -149.07492 -143.95357 5.12135 2.26620 -144.83295 667.38017
5405.0000 -150.72122 -146.48472 4.23650 2.22010 -145.54730 627.66983
5410.0000 -151.98734 -147.17337 4.81397 2.16434 -146.41142 606.78181
5415.0000 -151.92306 -147.59904 4.32401 2.13319 -146.89402 606.74267
5420.0000 -150.86807 -146.82086 4.04721 2.14265 -146.74744 598.65995
5425.0000 -151.76043 -146.48997 5.27046 2.12705 -146.98922 612.00553
5430.0000 -151.74977 -146.42448 5.32530 2.14734 -146.67477 635.49410
5435.0000 -151.62168 -146.74335 4.87833 2.13362 -146.88743 590.84566
5440.0000 -151.58997 -146.18946 5.40051 2.15471 -146.56066 593.45836
5445.0000 -152.23292 -147.43754 4.79538 2.11015 -147.25112 560.03588
5450.0000 -150.82735 -146.58906 4.23830 2.15280 -146.59014 595.75108
5455.0000 -151.69619 -145.61771 6.07848 2.18016 -146.16626 602.28232
5460.0000 -149.58721 -145.02830 4.55891 2.21636 -145.60528 627.32258
5465.0000 -151.18807 -145.98622 5.20186 2.19142 -145.99180 607.92226
5470.0000 -150.91520 -145.85953 5.05567 2.18972 -146.01809 616.56765
5475.0000 -149.96899 -144.32415 5.64484 2.22879 -145.41265 621.68902
5480.0000 -150.61210 -146.44136 4.17074 2.21608 -145.60959 650.94986
5485.0000 -152.38094 -147.80172 4.57922 2.08829 -147.58979 571.60052
5490.0000 -151.21928 -147.16389 4.05539 2.09844 -147.43263 599.24392
5495.0000 -151.39030 -146.62957 4.76074 2.10270 -147.36652 545.35865
5500.0000 -150.57565 -146.38904 4.18660 2.16656 -146.37700 593.59357
FREEZING PROCESS: loop number 23 T-loop= 607.00000000000000
main_MD> interactions number 23 at Temperature= 607.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26612 1.75080 2.22769
force_rgl> df(natom) -0.22887 -2.26648 -0.06912
5505.0000 -151.14580 -146.83225 4.31356 2.15012 -146.63169 572.23114
5510.0000 -151.11403 -146.78934 4.32469 2.13741 -146.82862 562.56847
5515.0000 -149.94835 -144.97012 4.97824 2.18664 -146.06577 612.65435
5520.0000 -150.08030 -145.14475 4.93555 2.26422 -144.86366 688.35668
5525.0000 -150.21333 -145.90974 4.30359 2.21859 -145.57071 628.04276
5530.0000 -150.90270 -146.00309 4.89961 2.20726 -145.74623 617.02647
5535.0000 -151.28006 -146.62533 4.65472 2.15200 -146.60266 578.41695
5540.0000 -152.13699 -146.68261 5.45439 2.16476 -146.40487 595.83411
5545.0000 -151.61898 -146.60541 5.01357 2.14708 -146.67888 592.66563
5550.0000 -151.54066 -147.38515 4.15551 2.08163 -147.69307 545.90640
5555.0000 -151.81529 -147.83619 3.97910 2.08209 -147.68597 540.36975
5560.0000 -150.64451 -145.83449 4.81001 2.14298 -146.74238 582.70682
5565.0000 -151.84651 -146.34119 5.50532 2.19966 -145.86402 614.36951
5570.0000 -150.45844 -145.42280 5.03564 2.17745 -146.20814 588.11418
5575.0000 -151.26771 -146.41113 4.85659 2.21166 -145.67813 646.78434
5580.0000 -150.59057 -145.12960 5.46097 2.21080 -145.69135 627.41936
5585.0000 -150.30864 -146.15728 4.15137 2.22856 -145.41618 633.67406
5590.0000 -150.76358 -145.62258 5.14100 2.18622 -146.07235 625.46205
5595.0000 -150.86740 -145.44724 5.42016 2.23483 -145.31901 634.50862
5600.0000 -151.16393 -146.11013 5.05381 2.19704 -145.90471 602.32678
5605.0000 -150.51303 -145.68155 4.83148 2.17687 -146.21715 591.07620
5610.0000 -151.40000 -145.09703 6.30297 2.21589 -145.61255 615.03175
5615.0000 -148.77535 -143.97424 4.80111 2.28808 -144.49386 670.87683
5620.0000 -150.67041 -145.62710 5.04330 2.23674 -145.28941 615.33541
5625.0000 -150.75569 -145.49423 5.26145 2.18218 -146.13489 618.12158
5630.0000 -150.65199 -143.86907 6.78291 2.27545 -144.68963 678.97057
5635.0000 -150.81645 -145.95070 4.86576 2.23842 -145.26348 673.39286
5640.0000 -151.20124 -145.84950 5.35174 2.19279 -145.97048 613.08963
5645.0000 -150.53104 -145.30530 5.22574 2.23795 -145.27069 655.84132
5650.0000 -151.71605 -146.52087 5.19518 2.17926 -146.18021 602.84473
5655.0000 -151.06465 -146.04360 5.02105 2.17837 -146.19393 609.45042
5660.0000 -151.15104 -146.21732 4.93372 2.17196 -146.29323 621.23463
5665.0000 -150.49834 -146.07114 4.42720 2.16618 -146.38286 616.25336
5670.0000 -150.88441 -146.39507 4.48934 2.13731 -146.83017 595.49315
5675.0000 -150.43027 -144.48759 5.94268 2.19711 -145.90364 624.87150
5680.0000 -149.43713 -144.99013 4.44699 2.28449 -144.54959 671.38897
5685.0000 -150.55057 -145.10444 5.44612 2.22654 -145.44756 630.16979
5690.0000 -150.09019 -145.37032 4.71987 2.21413 -145.63985 610.32323
5695.0000 -150.87645 -144.45909 6.41736 2.22664 -145.44601 620.53905
5700.0000 -150.76056 -145.78678 4.97378 2.23760 -145.27615 664.73705
5705.0000 -151.32784 -147.20649 4.12135 2.14139 -146.76701 567.25676
5710.0000 -152.26807 -147.38175 4.88632 2.10260 -147.36814 526.01425
5715.0000 -151.05972 -146.61674 4.44298 2.11923 -147.11033 553.64138
5720.0000 -150.46729 -145.86937 4.59792 2.18780 -146.04785 605.18078
5725.0000 -150.81291 -145.36798 5.44493 2.20705 -145.74959 630.43629
5730.0000 -151.20163 -146.88571 4.31592 2.16319 -146.42915 584.62728
5735.0000 -150.07132 -145.83462 4.23670 2.16389 -146.41837 561.52439
5740.0000 -151.04944 -145.49282 5.55662 2.19590 -145.92225 600.06321
5745.0000 -150.20977 -145.76609 4.44368 2.21242 -145.66633 608.40813
5750.0000 -151.12479 -146.79910 4.32569 2.18553 -146.08303 573.54067
FREEZING PROCESS: loop number 24 T-loop= 582.00000000000000
main_MD> interactions number 24 at Temperature= 582.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.09423 -0.84678 0.83717
force_rgl> df(natom) 0.06923 -0.63590 0.97782
5755.0000 -150.74216 -146.94799 3.79417 2.12897 -146.95949 550.58212
5760.0000 -151.64152 -147.17987 4.46165 2.16104 -146.46247 581.59582
5765.0000 -151.83705 -147.56830 4.26875 2.11564 -147.16595 553.16392
5770.0000 -151.63561 -147.24371 4.39190 2.10047 -147.40116 538.58837
5775.0000 -151.93824 -147.32556 4.61269 2.11929 -147.10939 554.98532
5780.0000 -150.89824 -146.46362 4.43462 2.14098 -146.77343 571.27021
5785.0000 -150.66652 -146.05451 4.61201 2.16063 -146.46892 592.41563
5790.0000 -151.68834 -147.16679 4.52154 2.16798 -146.35499 603.19255
5795.0000 -151.33860 -146.54890 4.78970 2.14126 -146.76898 552.51419
5800.0000 -151.31106 -146.08374 5.22733 2.18122 -146.14980 596.37048
5805.0000 -150.38126 -145.99341 4.38784 2.20597 -145.76629 618.55585
5810.0000 -151.43824 -146.70456 4.73368 2.18338 -146.11636 610.94453
5815.0000 -151.54216 -147.27006 4.27210 2.12413 -147.03447 569.53970
5820.0000 -152.02746 -147.44360 4.58386 2.11553 -147.16766 588.70559
5825.0000 -151.10507 -147.75899 3.34608 2.07965 -147.72372 536.11147
5830.0000 -152.18889 -147.77195 4.41694 2.07563 -147.78607 522.25857
5835.0000 -151.55645 -147.56160 3.99484 2.12023 -147.09496 571.02964
5840.0000 -152.79303 -149.13376 3.65927 2.04023 -148.33460 493.30959
5845.0000 -152.92265 -147.97775 4.94490 2.03657 -148.39130 535.36926
5850.0000 -152.96024 -148.93472 4.02552 2.03950 -148.34588 539.08960
5855.0000 -151.59675 -147.65009 3.94666 2.08918 -147.57607 567.92035
5860.0000 -150.99389 -146.08724 4.90665 2.14128 -146.76871 590.39796
5865.0000 -151.26330 -146.36404 4.89926 2.17366 -146.26688 609.35305
5870.0000 -152.03927 -147.03382 5.00544 2.15951 -146.48628 591.27484
5875.0000 -151.47287 -146.46993 5.00294 2.13949 -146.79644 598.41104
5880.0000 -152.04254 -147.23133 4.81121 2.13392 -146.88279 590.37043
5885.0000 -151.42371 -147.19894 4.22477 2.09793 -147.44039 557.32381
5890.0000 -150.82630 -146.46487 4.36143 2.12998 -146.94386 591.95211
5895.0000 -151.14268 -147.11845 4.02423 2.14402 -146.72631 586.15122
5900.0000 -151.74443 -146.99583 4.74860 2.10335 -147.35642 569.77217
5905.0000 -152.37660 -147.48727 4.88933 2.10982 -147.25624 578.04804
5910.0000 -151.41327 -147.20081 4.21246 2.08179 -147.69061 531.34948
5915.0000 -152.07585 -147.61178 4.46407 2.10646 -147.30821 555.27421
5920.0000 -151.30838 -146.97082 4.33757 2.14165 -146.76291 590.20168
5925.0000 -151.82196 -146.82097 5.00100 2.14082 -146.77578 573.42506
5930.0000 -150.54827 -145.98818 4.56009 2.15377 -146.57513 579.11074
5935.0000 -151.12657 -146.63270 4.49387 2.17136 -146.30260 566.03605
5940.0000 -150.89573 -146.52805 4.36768 2.13385 -146.88380 524.94727
5945.0000 -151.58444 -147.04191 4.54253 2.16853 -146.34646 580.78277
5950.0000 -151.62812 -147.08051 4.54761 2.12975 -146.94739 568.88473
5955.0000 -150.75297 -146.24590 4.50707 2.16353 -146.42387 572.43953
5960.0000 -150.98315 -146.78268 4.20047 2.17859 -146.19060 573.44710
5965.0000 -149.99107 -146.43337 3.55771 2.16846 -146.34753 565.87925
5970.0000 -151.67568 -146.69201 4.98367 2.14548 -146.70356 562.31427
5975.0000 -150.88966 -146.78965 4.10002 2.16042 -146.47213 571.70489
5980.0000 -151.10794 -146.50694 4.60100 2.14171 -146.76205 571.78789
5985.0000 -151.98207 -146.47429 5.50778 2.18856 -146.03609 631.97228
5990.0000 -150.85201 -146.29344 4.55856 2.15061 -146.62419 607.11497
5995.0000 -152.75011 -147.18104 5.56907 2.16139 -146.45704 611.81707
6000.0000 -151.43819 -147.37443 4.06375 2.10295 -147.36268 600.09649
FREEZING PROCESS: loop number 25 T-loop= 557.00000000000000
main_MD> interactions number 25 at Temperature= 557.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54873 -2.40260 0.30040
force_rgl> df(natom) -2.35462 0.44661 0.33105
6005.0000 -151.19339 -146.50922 4.68417 2.11189 -147.22411 584.22668
6010.0000 -152.33642 -146.80277 5.53365 2.15475 -146.56004 629.81840
6015.0000 -151.38119 -147.08789 4.29331 2.10410 -147.34482 582.84090
6020.0000 -152.27129 -148.22759 4.04370 2.06844 -147.89750 570.32625
6025.0000 -153.20732 -149.66612 3.54119 2.00130 -148.93780 521.17931
6030.0000 -153.45208 -148.80498 4.64709 1.98765 -149.14930 504.81307
6035.0000 -151.95011 -147.94115 4.00896 2.03773 -148.37330 545.75650
6040.0000 -150.83625 -147.33176 3.50449 2.10117 -147.39029 563.25867
6045.0000 -152.18553 -147.58911 4.59642 2.07483 -147.79837 545.40945
6050.0000 -152.59129 -148.33356 4.25774 2.07931 -147.72904 544.13672
6055.0000 -152.83064 -148.74795 4.08268 2.06845 -147.89722 532.62899
6060.0000 -152.54414 -148.90437 3.63977 1.99517 -149.03282 498.83826
6065.0000 -152.80083 -148.61246 4.18837 2.02572 -148.55950 538.56758
6070.0000 -152.75552 -148.29256 4.46296 2.01446 -148.73397 548.37720
6075.0000 -153.20881 -148.47862 4.73019 2.03025 -148.48918 561.38648
6080.0000 -152.97421 -149.04165 3.93256 2.00569 -148.86974 526.84656
6085.0000 -153.27870 -149.45065 3.82805 2.00642 -148.85857 523.80139
6090.0000 -152.01251 -148.15869 3.85382 2.02566 -148.56033 517.77567
6095.0000 -151.18363 -147.63878 3.54486 2.07650 -147.77251 545.29005
6100.0000 -152.03454 -146.80842 5.22612 2.15365 -146.57701 607.64531
6105.0000 -152.10627 -147.93106 4.17521 2.11313 -147.20488 564.64464
6110.0000 -152.01389 -148.35079 3.66310 2.03374 -148.43511 498.78098
6115.0000 -151.47561 -146.88031 4.59530 2.11596 -147.16099 575.23639
6120.0000 -152.05847 -147.99237 4.06610 2.09174 -147.53638 526.61875
6125.0000 -151.51432 -147.63886 3.87546 2.08180 -147.69045 528.21818
6130.0000 -151.00335 -146.19150 4.81185 2.12900 -146.95900 539.15076
6135.0000 -149.30269 -146.01283 3.28986 2.16063 -146.46879 557.76413
6140.0000 -151.22319 -147.10722 4.11597 2.15370 -146.57621 564.31816
6145.0000 -151.67312 -147.34649 4.32663 2.10415 -147.34412 539.49283
6150.0000 -151.67212 -147.23292 4.43921 2.09893 -147.42499 562.50235
6155.0000 -151.45140 -147.63322 3.81817 2.10027 -147.40419 533.51688
6160.0000 -150.95766 -146.15592 4.80174 2.14118 -146.77028 550.67800
6165.0000 -151.39000 -145.94791 5.44209 2.19013 -146.01169 589.78923
6170.0000 -151.66577 -147.06370 4.60207 2.15049 -146.62595 577.27532
6175.0000 -152.13593 -147.34767 4.78826 2.13158 -146.91898 564.80812
6180.0000 -152.24755 -147.66394 4.58361 2.08770 -147.59897 543.81040
6185.0000 -152.36270 -147.85863 4.50407 2.09176 -147.53610 543.41959
6190.0000 -152.89452 -148.71161 4.18291 2.03736 -148.37897 525.95142
6195.0000 -152.69274 -148.51602 4.17672 2.01629 -148.70551 491.84040
6200.0000 -151.39183 -146.85545 4.53638 2.07741 -147.75843 533.55079
6205.0000 -152.38803 -147.04966 5.33837 2.13835 -146.81416 581.27702
6210.0000 -152.10569 -147.71714 4.38855 2.10107 -147.39175 558.33237
6215.0000 -152.41949 -147.08635 5.33314 2.11875 -147.11775 547.51067
6220.0000 -152.43416 -147.45949 4.97466 2.08134 -147.69758 542.28992
6225.0000 -152.22179 -147.77924 4.44255 2.09989 -147.41014 554.17712
6230.0000 -151.05816 -146.51255 4.54561 2.08870 -147.58349 532.16788
6235.0000 -151.41329 -146.86959 4.54370 2.18541 -146.08488 582.35055
6240.0000 -150.69851 -146.49063 4.20787 2.13000 -146.94343 554.39333
6245.0000 -151.08203 -146.65532 4.42670 2.19808 -145.88845 630.72984
6250.0000 -151.34574 -147.13847 4.20727 2.13396 -146.88216 562.19035
FREEZING PROCESS: loop number 26 T-loop= 532.00000000000000
main_MD> interactions number 26 at Temperature= 532.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.15299 1.35236 0.15633
force_rgl> df(natom) -1.46215 0.79638 -0.30922
6255.0000 -151.72359 -147.09461 4.62898 2.09918 -147.42103 534.55848
6260.0000 -151.74826 -147.18851 4.55976 2.07453 -147.80313 521.73058
6265.0000 -152.19801 -147.97855 4.21946 2.09987 -147.41045 535.51072
6270.0000 -152.20601 -148.22560 3.98041 2.08753 -147.60167 548.87505
6275.0000 -152.57698 -147.77408 4.80290 2.06006 -148.02722 531.47423
6280.0000 -151.18797 -146.85321 4.33476 2.10760 -147.29056 566.92294
6285.0000 -151.94641 -147.57891 4.36750 2.10675 -147.30376 549.85895
6290.0000 -152.16916 -148.66804 3.50111 2.05979 -148.03142 522.07636
6295.0000 -152.41300 -147.50009 4.91291 2.06001 -148.02811 517.27623
6300.0000 -151.20182 -147.29968 3.90214 2.09253 -147.52417 549.18303
6305.0000 -152.05881 -147.62890 4.42991 2.08924 -147.57519 557.56438
6310.0000 -152.07843 -147.58481 4.49362 2.07894 -147.73473 554.47693
6315.0000 -152.98067 -148.63245 4.34822 2.04117 -148.31999 528.08909
6320.0000 -151.72040 -148.20711 3.51329 2.04743 -148.22299 534.14813
6325.0000 -152.77016 -147.79281 4.97735 2.07482 -147.79851 567.71296
6330.0000 -152.33961 -148.06085 4.27876 2.07156 -147.84906 557.89759
6335.0000 -152.30121 -148.19354 4.10767 2.06200 -147.99724 530.28523
6340.0000 -151.51754 -147.02956 4.48798 2.09985 -147.41077 566.01818
6345.0000 -152.88783 -147.86450 5.02333 2.07330 -147.82208 565.37940
6350.0000 -153.03221 -149.19896 3.83326 2.03629 -148.39566 548.84324
6355.0000 -153.69532 -150.09296 3.60236 1.96255 -149.53824 473.12410
6360.0000 -153.67223 -149.68337 3.98887 1.94892 -149.74948 466.55520
6365.0000 -152.70636 -148.97399 3.73237 1.95211 -149.70005 479.71572
6370.0000 -152.67839 -148.05567 4.62272 2.01050 -148.79532 505.19267
6375.0000 -152.67754 -148.42570 4.25184 2.04412 -148.27430 523.05532
6380.0000 -151.29316 -146.87988 4.41328 2.05705 -148.07393 541.70421
6385.0000 -152.39717 -147.99372 4.40345 2.09715 -147.45254 575.84278
6390.0000 -152.80018 -148.80543 3.99475 2.04708 -148.22837 519.30702
6395.0000 -152.25586 -148.47256 3.78330 2.03082 -148.48041 506.77362
6400.0000 -152.65857 -148.95797 3.70059 2.01935 -148.65808 501.46162
6405.0000 -152.67540 -149.10376 3.57165 1.99057 -149.10416 462.40972
6410.0000 -153.15313 -149.26486 3.88827 2.03201 -148.46198 510.53203
6415.0000 -152.37330 -148.12284 4.25046 2.02406 -148.58516 528.22999
6420.0000 -152.97627 -149.68641 3.28986 1.99361 -149.05703 491.92978
6425.0000 -152.76214 -148.42209 4.34005 1.99681 -149.00744 505.40251
6430.0000 -152.49414 -148.09064 4.40350 2.05067 -148.17278 564.69862
6435.0000 -152.58970 -147.99256 4.59714 2.06622 -147.93181 547.61958
6440.0000 -152.53275 -149.01828 3.51447 2.03135 -148.47225 522.53274
6445.0000 -153.43714 -149.44570 3.99144 1.99828 -148.98458 495.28054
6450.0000 -152.84918 -148.58288 4.26630 2.00053 -148.94983 515.62462
6455.0000 -153.35254 -149.03073 4.32181 1.97660 -149.32056 494.58391
6460.0000 -153.38449 -148.67522 4.70927 2.02715 -148.53722 530.49301
6465.0000 -152.46889 -148.46378 4.00511 2.02458 -148.57701 527.18868
6470.0000 -151.96342 -148.37364 3.58979 2.03963 -148.34391 514.95335
6475.0000 -152.02811 -147.23264 4.79547 2.07177 -147.84579 565.41959
6480.0000 -152.99992 -148.09284 4.90708 2.05273 -148.14086 560.39449
6485.0000 -152.42881 -148.84993 3.57888 2.01469 -148.73028 515.64547
6490.0000 -153.41003 -148.78741 4.62262 2.01959 -148.65439 535.61468
6495.0000 -152.56500 -148.02525 4.53975 2.04463 -148.26644 554.59698
6500.0000 -152.62638 -148.56057 4.06581 2.06721 -147.91642 572.01452
FREEZING PROCESS: loop number 27 T-loop= 507.00000000000000
main_MD> interactions number 27 at Temperature= 507.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12345 -1.44705 -0.27030
force_rgl> df(natom) 2.23785 0.38788 1.44366
6505.0000 -152.59310 -149.16213 3.43098 1.98726 -149.15547 496.05893
6510.0000 -151.99189 -147.88190 4.10998 1.99726 -149.00042 460.05359
6515.0000 -152.09964 -147.61069 4.48895 2.09613 -147.46830 541.58935
6520.0000 -152.45776 -147.74307 4.71469 2.06444 -147.95936 523.71411
6525.0000 -151.83972 -148.04071 3.79901 2.07212 -147.84039 521.41772
6530.0000 -151.68980 -146.78692 4.90288 2.07672 -147.76914 523.77962
6535.0000 -152.24972 -148.29643 3.95328 2.10722 -147.29644 541.25196
6540.0000 -151.71353 -147.56391 4.14963 2.06888 -147.89061 527.91043
6545.0000 -151.33780 -147.09436 4.24344 2.09955 -147.41543 544.50246
6550.0000 -151.64791 -146.83998 4.80793 2.12318 -147.04921 577.28126
6555.0000 -151.87611 -147.43384 4.44227 2.12123 -147.07940 567.75655
6560.0000 -152.63719 -149.10529 3.53189 2.03860 -148.35990 537.03978
6565.0000 -153.43661 -149.13040 4.30622 1.98766 -149.14926 495.68017
6570.0000 -151.94275 -148.26659 3.67616 2.00246 -148.91987 505.37058
6575.0000 -153.61591 -149.45007 4.16584 1.99891 -148.97482 518.54128
6580.0000 -153.25746 -149.26607 3.99139 1.97875 -149.28726 489.47033
6585.0000 -152.39774 -149.16570 3.23203 1.98691 -149.16080 469.72113
6590.0000 -152.75756 -149.22986 3.52769 1.96347 -149.52401 436.33679
6595.0000 -153.06113 -148.60673 4.45440 2.02630 -148.55045 509.71174
6600.0000 -152.88491 -149.13972 3.74519 2.01668 -148.69957 501.99222
6605.0000 -152.42004 -147.94618 4.47387 2.02745 -148.53267 514.87572
6610.0000 -152.50023 -148.34811 4.15212 2.07622 -147.77693 568.06655
6615.0000 -153.41275 -149.44628 3.96647 1.95810 -149.60725 502.51068
6620.0000 -152.78102 -148.67500 4.10602 1.97648 -149.32240 496.40068
6625.0000 -152.48893 -148.13835 4.35059 2.03852 -148.36104 550.83384
6630.0000 -152.73383 -148.52965 4.20418 2.05390 -148.12269 542.17286
6635.0000 -153.32456 -149.40366 3.92090 2.00776 -148.83778 518.31976
6640.0000 -152.14583 -147.68494 4.46089 2.01836 -148.67341 522.11777
6645.0000 -152.70489 -148.93996 3.76493 2.03528 -148.41125 516.28043
6650.0000 -151.64445 -148.08048 3.56396 2.01793 -148.68016 507.66281
6655.0000 -152.15538 -148.48538 3.67000 2.05354 -148.12826 508.71283
6660.0000 -152.34380 -147.93257 4.41122 2.06156 -148.00397 511.50443
6665.0000 -152.46854 -149.04229 3.42625 2.05776 -148.06296 496.83500
6670.0000 -151.92445 -148.02886 3.89559 2.00965 -148.80844 456.69116
6675.0000 -152.39678 -148.63118 3.76560 2.03866 -148.35886 485.63057
6680.0000 -152.47416 -148.72473 3.74942 2.02551 -148.56264 489.19462
6685.0000 -151.82147 -148.14352 3.67795 2.05796 -148.05981 513.65405
6690.0000 -152.03370 -148.31865 3.71505 2.04309 -148.29027 515.70000
6695.0000 -152.30770 -148.10142 4.20628 2.06189 -147.99898 539.30591
6700.0000 -152.16588 -148.89435 3.27153 2.03963 -148.34385 491.55716
6705.0000 -152.13504 -148.20170 3.93334 2.01391 -148.74240 495.85642
6710.0000 -152.77973 -148.47608 4.30365 2.05541 -148.09932 570.27376
6715.0000 -152.34417 -148.51236 3.83182 2.02191 -148.61850 523.58826
6720.0000 -152.37916 -148.14780 4.23136 2.02524 -148.56684 506.77599
6725.0000 -152.46422 -148.12922 4.33500 2.04199 -148.30724 524.09905
6730.0000 -152.86396 -148.43113 4.43282 2.02977 -148.49665 528.08942
6735.0000 -153.19674 -148.88311 4.31363 2.03032 -148.48817 536.92868
6740.0000 -153.04745 -149.73804 3.30941 1.97222 -149.38845 490.71610
6745.0000 -152.21971 -148.39691 3.82280 1.98659 -149.16577 488.15529
6750.0000 -152.17280 -148.58613 3.58667 2.04005 -148.33733 521.99092
FREEZING PROCESS: loop number 28 T-loop= 482.00000000000000
main_MD> interactions number 28 at Temperature= 482.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53140 -0.18684 -1.35404
force_rgl> df(natom) -0.59928 0.65739 3.06428
6755.0000 -152.90908 -149.30104 3.60805 1.96966 -149.42812 470.49459
6760.0000 -153.00567 -148.78940 4.21627 1.98404 -149.20536 490.61653
6765.0000 -154.27681 -149.40796 4.86884 1.96490 -149.50183 499.68963
6770.0000 -153.47341 -150.04398 3.42943 1.96521 -149.49710 499.28021
6775.0000 -153.05503 -149.50697 3.54806 1.95343 -149.67960 481.64245
6780.0000 -153.99649 -149.85267 4.14382 1.97220 -149.38879 471.99083
6785.0000 -153.04484 -148.88316 4.16168 1.96962 -149.42878 465.63200
6790.0000 -153.22003 -149.44913 3.77091 1.98271 -149.22597 493.63999
6795.0000 -153.17278 -149.68397 3.48881 1.98433 -149.20078 499.91937
6800.0000 -153.18326 -149.56705 3.61621 1.94612 -149.79294 472.53733
6805.0000 -153.38514 -149.94624 3.43891 1.96882 -149.44121 475.43199
6810.0000 -152.78294 -149.39134 3.39160 1.97749 -149.30680 497.21050
6815.0000 -152.37030 -148.01529 4.35501 2.01491 -148.72691 517.91328
6820.0000 -152.56460 -148.01207 4.55253 2.04031 -148.33335 529.77322
6825.0000 -151.95650 -147.97597 3.98053 2.07322 -147.82341 559.82772
6830.0000 -153.51712 -148.86597 4.65115 2.01632 -148.70502 513.31767
6835.0000 -153.57980 -149.21240 4.36740 1.98414 -149.20371 481.86949
6840.0000 -152.95262 -149.50849 3.44413 1.98303 -149.22097 485.47069
6845.0000 -152.57877 -148.67330 3.90547 1.99586 -149.02220 489.08086
6850.0000 -152.85964 -148.74680 4.11285 2.04302 -148.29137 526.94243
6855.0000 -152.55106 -148.97610 3.57495 2.02868 -148.51356 512.28638
6860.0000 -153.08503 -149.33052 3.75451 1.96245 -149.53992 460.69843
6865.0000 -152.64024 -149.02168 3.61856 1.99826 -148.98499 498.45928
6870.0000 -153.53745 -149.50117 4.03628 2.01374 -148.74511 541.42928
6875.0000 -153.84574 -150.10869 3.73705 1.97924 -149.27963 507.30875
6880.0000 -153.68343 -149.88172 3.80171 1.95872 -149.59762 473.49382
6885.0000 -153.45287 -148.28921 5.16366 1.96784 -149.45630 489.02999
6890.0000 -153.52330 -150.12066 3.40264 1.95138 -149.71133 481.77228
6895.0000 -153.96840 -150.53307 3.43532 1.94133 -149.86710 472.95468
6900.0000 -153.68267 -149.49083 4.19183 1.94926 -149.74420 495.08016
6905.0000 -154.25851 -150.07066 4.18786 1.94040 -149.88154 495.63332
6910.0000 -154.44320 -150.45409 3.98911 1.91519 -150.27227 481.91996
6915.0000 -153.37276 -150.16131 3.21145 1.91565 -150.26507 474.03026
6920.0000 -153.66199 -149.81072 3.85127 1.93861 -149.90933 492.11200
6925.0000 -153.65607 -149.94276 3.71331 1.94848 -149.75637 516.93332
6930.0000 -152.99206 -148.98526 4.00681 1.95226 -149.69775 509.06625
6935.0000 -153.72038 -149.45012 4.27025 1.93144 -150.02034 488.81491
6940.0000 -153.92757 -149.74163 4.18595 1.92868 -150.06318 494.82960
6945.0000 -153.95151 -150.43719 3.51432 1.93890 -149.90483 499.09339
6950.0000 -153.46580 -150.09304 3.37277 1.92042 -150.19123 458.05232
6955.0000 -153.71412 -149.67441 4.03971 1.94580 -149.79785 479.29287
6960.0000 -154.50988 -150.49439 4.01549 1.91838 -150.22283 457.03124
6965.0000 -153.87114 -150.21852 3.65261 1.94031 -149.88301 480.28426
6970.0000 -153.45077 -150.06035 3.39041 1.91608 -150.25843 448.75077
6975.0000 -154.02938 -150.25441 3.77497 1.92524 -150.11648 466.26902
6980.0000 -153.20127 -149.19503 4.00624 1.96391 -149.51717 498.18988
6985.0000 -153.22569 -149.83548 3.39021 1.95808 -149.60763 497.00497
6990.0000 -153.55286 -148.86261 4.69026 1.98600 -149.17496 516.98759
6995.0000 -153.53403 -149.48843 4.04560 1.99480 -149.03864 518.49734
7000.0000 -153.89028 -149.80724 4.08304 1.94527 -149.80603 473.98425
FREEZING PROCESS: loop number 29 T-loop= 457.00000000000000
main_MD> interactions number 29 at Temperature= 457.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41064 -0.29942 -1.27840
force_rgl> df(natom) 1.16758 -0.70935 -0.84067
7005.0000 -153.35317 -150.26416 3.08901 1.94033 -149.88258 469.72379
7010.0000 -153.39518 -149.72745 3.66773 1.91022 -150.34918 440.61751
7015.0000 -153.67846 -150.06870 3.60976 1.96429 -149.51141 489.84851
7020.0000 -153.68638 -150.29950 3.38688 1.92600 -150.10465 460.31966
7025.0000 -154.22065 -150.75333 3.46732 1.91610 -150.25816 465.19302
7030.0000 -153.00203 -149.68589 3.31614 1.89890 -150.52466 436.73448
7035.0000 -154.25303 -150.28569 3.96733 1.97107 -149.40630 485.32298
7040.0000 -153.60046 -149.79050 3.80997 1.93041 -150.03633 454.11162
7045.0000 -153.22710 -149.20845 4.01865 1.94940 -149.74206 472.50657
7050.0000 -152.99877 -150.45463 2.54414 1.94406 -149.82485 465.35929
7055.0000 -153.56117 -149.50690 4.05427 1.94610 -149.79319 477.39359
7060.0000 -153.43336 -149.67028 3.76307 1.94554 -149.80184 504.23668
7065.0000 -153.92147 -150.81612 3.10535 1.90036 -150.50206 463.80910
7070.0000 -153.95850 -149.93531 4.02318 1.92524 -150.11643 489.44118
7075.0000 -154.18116 -149.99880 4.18236 1.94746 -149.77211 505.07990
7080.0000 -153.97523 -150.00068 3.97456 1.95750 -149.61653 506.89835
7085.0000 -153.68360 -150.55816 3.12544 1.91022 -150.34925 471.57105
7090.0000 -154.50111 -150.68321 3.81790 1.90045 -150.50058 462.02179
7095.0000 -153.58956 -149.80170 3.78787 1.93808 -149.91747 482.67747
7100.0000 -153.44449 -149.73047 3.71402 1.94637 -149.78905 475.02454
7105.0000 -153.31823 -150.34751 2.97071 1.93207 -150.01058 446.79109
7110.0000 -154.40233 -151.20319 3.19914 1.90013 -150.50561 440.70757
7115.0000 -153.74297 -150.27383 3.46914 1.90560 -150.42078 450.84376
7120.0000 -153.40655 -149.98875 3.41781 1.94119 -149.86927 467.47973
7125.0000 -153.91726 -150.25148 3.66578 1.93626 -149.94562 467.17647
7130.0000 -153.48605 -149.83569 3.65036 1.95141 -149.71093 481.39621
7135.0000 -154.40583 -150.45543 3.95040 1.89900 -150.52313 437.57476
7140.0000 -153.96251 -150.12243 3.84008 1.90331 -150.45630 445.58663
7145.0000 -154.07548 -150.30001 3.77547 1.92547 -150.11286 466.92421
7150.0000 -154.04188 -150.87051 3.17136 1.90916 -150.36568 445.65443
7155.0000 -153.79870 -150.68448 3.11422 1.90095 -150.49288 445.27745
7160.0000 -154.44851 -150.83254 3.61597 1.89977 -150.51107 443.40671
7165.0000 -153.91946 -150.52962 3.38983 1.87782 -150.85122 425.33298
7170.0000 -153.02465 -149.78036 3.24429 1.93989 -149.88942 473.65727
7175.0000 -153.70874 -150.00164 3.70709 1.94615 -149.79248 467.81168
7180.0000 -153.65494 -150.26034 3.39459 1.94571 -149.79932 471.20082
7185.0000 -153.46345 -149.78240 3.68104 1.93350 -149.98848 464.02893
7190.0000 -154.20602 -150.79074 3.41528 1.90461 -150.43609 435.79191
7195.0000 -153.51419 -150.47333 3.04085 1.90316 -150.45856 445.76774
7200.0000 -154.39138 -150.56775 3.82363 1.92505 -150.11934 486.82060
7205.0000 -153.90197 -150.83214 3.06983 1.88650 -150.71677 462.93422
7210.0000 -154.12617 -150.39077 3.73540 1.88025 -150.81368 443.51863
7215.0000 -154.19453 -150.83368 3.36085 1.90158 -150.48315 471.16473
7220.0000 -153.18387 -150.16205 3.02182 1.91987 -150.19972 475.50222
7225.0000 -153.93088 -150.47523 3.45565 1.92810 -150.07216 472.51535
7230.0000 -153.55482 -150.25450 3.30032 1.92434 -150.13044 482.94059
7235.0000 -154.08489 -150.16314 3.92175 1.93824 -149.91497 500.37932
7240.0000 -154.23760 -150.46727 3.77034 1.90387 -150.44758 467.93563
7245.0000 -154.40392 -150.63358 3.77034 1.91297 -150.30665 484.74138
7250.0000 -154.42929 -151.51565 2.91364 1.86434 -151.06017 430.25502
FREEZING PROCESS: loop number 30 T-loop= 432.00000000000000
main_MD> interactions number 30 at Temperature= 432.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.57501 2.09830 1.10927
force_rgl> df(natom) -0.62971 0.80531 2.28524
7255.0000 -154.36082 -150.67461 3.68621 1.86398 -151.06570 433.06781
7260.0000 -154.70443 -150.66965 4.03478 1.87258 -150.93253 439.81351
7265.0000 -154.37495 -150.96231 3.41264 1.88095 -150.80285 441.89845
7270.0000 -154.16931 -150.56560 3.60371 1.87157 -150.94807 437.64415
7275.0000 -155.02144 -152.34910 2.67234 1.84407 -151.37429 409.83918
7280.0000 -154.70596 -151.16986 3.53610 1.80420 -151.99209 381.67295
7285.0000 -154.85895 -151.81005 3.04890 1.85778 -151.16177 427.25982
7290.0000 -154.98864 -151.59200 3.39664 1.81255 -151.86278 386.66163
7295.0000 -154.07248 -151.28255 2.78992 1.86035 -151.12205 428.97283
7300.0000 -154.90982 -151.26203 3.64779 1.84819 -151.31044 418.36573
7305.0000 -154.77482 -151.71160 3.06322 1.84789 -151.31501 419.77897
7310.0000 -154.76927 -150.93486 3.83441 1.85574 -151.19341 419.69824
7315.0000 -154.07130 -150.18045 3.89084 1.90044 -150.50069 464.97619
7320.0000 -154.11668 -150.89046 3.22623 1.88938 -150.67208 448.53842
7325.0000 -154.41742 -150.30073 4.11669 1.91522 -150.27177 477.77624
7330.0000 -154.04769 -150.64806 3.39963 1.89060 -150.65322 458.41911
7335.0000 -154.59943 -151.61602 2.98341 1.87001 -150.97235 434.99273
7340.0000 -154.73949 -151.45434 3.28514 1.84173 -151.41049 408.28038
7345.0000 -154.31272 -151.08292 3.22980 1.84300 -151.39084 408.86243
7350.0000 -153.60949 -150.24123 3.36827 1.87805 -150.84779 446.42936
7355.0000 -154.66857 -151.14707 3.52150 1.87036 -150.96687 443.00595
7360.0000 -154.84104 -151.51249 3.32855 1.84882 -151.30060 417.87348
7365.0000 -154.82863 -151.81050 3.01813 1.82055 -151.73869 394.21314
7370.0000 -154.31419 -150.50681 3.80738 1.85023 -151.27875 416.32991
7375.0000 -153.24373 -149.27803 3.96569 1.95178 -149.70522 507.11231
7380.0000 -153.63601 -150.45014 3.18587 1.93347 -149.98897 490.37813
7385.0000 -153.86717 -150.80307 3.06410 1.89216 -150.62903 448.66378
7390.0000 -154.45540 -151.10490 3.35050 1.86681 -151.02185 425.01630
7395.0000 -154.04877 -150.40824 3.64052 1.89718 -150.55134 441.67899
7400.0000 -153.62525 -150.00437 3.62087 1.93321 -149.99298 470.43408
7405.0000 -154.70784 -150.83718 3.87066 1.91329 -150.30166 472.08851
7410.0000 -154.48759 -151.31064 3.17695 1.86375 -151.06932 433.76105
7415.0000 -154.04985 -151.00937 3.04049 1.85328 -151.23161 430.71595
7420.0000 -154.39148 -151.03429 3.35719 1.86256 -151.08775 434.19328
7425.0000 -154.12522 -150.69830 3.42693 1.88247 -150.77928 462.85420
7430.0000 -154.15493 -150.45862 3.69632 1.89454 -150.59225 462.83601
7435.0000 -154.09775 -150.86707 3.23069 1.90748 -150.39168 473.76974
7440.0000 -154.76995 -151.23246 3.53749 1.87686 -150.86616 440.00695
7445.0000 -154.23365 -151.02303 3.21062 1.86021 -151.12422 428.40908
7450.0000 -155.27771 -151.76162 3.51609 1.85919 -151.13993 430.53826
7455.0000 -154.65520 -151.15065 3.50455 1.82138 -151.72590 397.17135
7460.0000 -155.10336 -151.01984 4.08352 1.87751 -150.85614 435.61893
7465.0000 -154.86488 -151.23877 3.62611 1.86346 -151.07383 434.33702
7470.0000 -154.83128 -151.33643 3.49486 1.82767 -151.62834 401.21547
7475.0000 -154.65573 -151.33414 3.32159 1.81785 -151.78055 393.58205
7480.0000 -154.48451 -151.09967 3.38483 1.86889 -150.98965 434.98815
7485.0000 -154.39657 -150.70040 3.69616 1.88523 -150.73638 451.45289
7490.0000 -154.63089 -151.27294 3.35795 1.88148 -150.79457 451.98357
7495.0000 -155.38791 -152.58961 2.79830 1.81666 -151.79895 391.01683
7500.0000 -154.64800 -151.41917 3.22884 1.79623 -152.11568 373.31144
FREEZING PROCESS: loop number 31 T-loop= 407.00000000000000
main_MD> interactions number 31 at Temperature= 407.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.74929 1.85697 -1.79515
force_rgl> df(natom) -2.19506 2.09198 -0.14514
7505.0000 -154.81173 -151.51943 3.29230 1.83988 -151.43914 418.22535
7510.0000 -155.32131 -152.26577 3.05554 1.81846 -151.77110 401.05066
7515.0000 -154.69820 -151.75756 2.94064 1.81865 -151.76815 393.84847
7520.0000 -154.69392 -151.80205 2.89187 1.81708 -151.79253 401.34954
7525.0000 -154.71410 -151.71193 3.00217 1.81462 -151.83060 393.79120
7530.0000 -155.15194 -151.87112 3.28082 1.81871 -151.76729 391.32604
7535.0000 -154.77292 -151.57771 3.19520 1.79761 -152.09419 374.49057
7540.0000 -154.37312 -151.19299 3.18013 1.83284 -151.54827 403.57622
7545.0000 -154.35675 -151.07447 3.28229 1.83514 -151.51262 402.33101
7550.0000 -153.91004 -150.72345 3.18659 1.87221 -150.93818 437.75268
7555.0000 -153.61607 -150.43160 3.18446 1.86851 -150.99559 438.47999
7560.0000 -155.50877 -152.60084 2.90793 1.85006 -151.28144 418.69635
7565.0000 -155.01071 -152.16656 2.84415 1.81595 -151.80996 391.75131
7570.0000 -154.96249 -151.27064 3.69185 1.82556 -151.66114 399.70209
7575.0000 -154.96980 -151.86382 3.10598 1.83788 -151.47017 408.73404
7580.0000 -154.90881 -151.43768 3.47113 1.83014 -151.59017 404.73745
7585.0000 -155.36370 -151.72331 3.64039 1.83895 -151.45363 410.50553
7590.0000 -154.14316 -151.36301 2.78015 1.82928 -151.60352 402.87169
7595.0000 -154.66789 -151.89979 2.76810 1.82261 -151.70685 399.04825
7600.0000 -155.06739 -151.38802 3.67937 1.84174 -151.41034 421.56941
7605.0000 -154.78199 -151.89103 2.89096 1.82058 -151.73834 395.03991
7610.0000 -155.19177 -151.76539 3.42638 1.81679 -151.79705 392.04726
7615.0000 -154.62981 -151.36732 3.26249 1.83162 -151.56726 402.57029
7620.0000 -154.42502 -151.32775 3.09727 1.83979 -151.44055 411.38374
7625.0000 -154.76785 -152.25680 2.51105 1.80484 -151.98218 377.82048
7630.0000 -155.25897 -152.47853 2.78044 1.80199 -152.02635 386.78779
7635.0000 -155.09097 -151.42570 3.66527 1.81367 -151.84534 392.72772
7640.0000 -154.44651 -150.60332 3.84319 1.88180 -150.78958 450.18517
7645.0000 -154.83424 -151.56687 3.26737 1.85023 -151.27888 424.19499
7650.0000 -154.68396 -151.45149 3.23247 1.81839 -151.77224 391.29648
7655.0000 -154.88508 -152.02995 2.85513 1.80960 -151.90835 383.41024
7660.0000 -153.87230 -150.77769 3.09461 1.87058 -150.96350 439.79303
7665.0000 -155.03392 -151.49409 3.53983 1.83313 -151.54374 410.22960
7670.0000 -154.36348 -151.26671 3.09677 1.85593 -151.19048 427.38610
7675.0000 -154.43068 -151.47879 2.95189 1.84707 -151.32781 418.10817
7680.0000 -154.53049 -151.29546 3.23503 1.85468 -151.20986 426.25297
7685.0000 -154.69155 -151.71917 2.97238 1.84357 -151.38209 411.97867
7690.0000 -154.71231 -151.57379 3.13852 1.82703 -151.63836 396.14082
7695.0000 -155.09833 -151.95947 3.13886 1.82384 -151.68782 399.07414
7700.0000 -155.60288 -152.53805 3.06483 1.79099 -152.19685 373.55185
7705.0000 -154.72033 -152.46450 2.25583 1.76346 -152.62347 345.68668
7710.0000 -155.25994 -152.35796 2.90198 1.80173 -152.03031 377.45833
7715.0000 -155.15507 -151.84732 3.30775 1.81305 -151.85501 386.90616
7720.0000 -154.68941 -151.65373 3.03568 1.81089 -151.88848 388.15858
7725.0000 -155.17695 -151.70368 3.47326 1.82039 -151.74124 395.19261
7730.0000 -154.39388 -150.89845 3.49543 1.83778 -151.47177 407.08349
7735.0000 -154.39444 -151.25464 3.13981 1.85989 -151.12911 426.19795
7740.0000 -154.73757 -151.73428 3.00329 1.83373 -151.53448 406.59631
7745.0000 -155.35656 -152.08034 3.27622 1.82107 -151.73064 397.41265
7750.0000 -154.68504 -151.36993 3.31511 1.82395 -151.68603 400.12695
FREEZING PROCESS: loop number 32 T-loop= 382.00000000000000
main_MD> interactions number 32 at Temperature= 382.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19109 1.81772 1.34772
force_rgl> df(natom) -0.51616 3.30700 1.82711
7755.0000 -154.93468 -152.39640 2.53829 1.81425 -151.83642 395.26414
7760.0000 -154.94565 -152.14340 2.80224 1.77076 -152.51036 351.62504
7765.0000 -155.05539 -152.19132 2.86407 1.78980 -152.21523 375.45552
7770.0000 -155.12549 -152.08215 3.04333 1.79325 -152.16173 376.83873
7775.0000 -155.38423 -152.13864 3.24559 1.82810 -151.62180 401.30078
7780.0000 -155.58603 -152.87554 2.71049 1.77023 -152.51849 351.94969
7785.0000 -155.06751 -151.90429 3.16322 1.78844 -152.23636 366.16839
7790.0000 -154.62037 -151.61106 3.00930 1.82130 -151.72714 394.16357
7795.0000 -154.67190 -151.36630 3.30560 1.85011 -151.28062 402.02839
7800.0000 -154.52887 -151.70426 2.82460 1.83613 -151.49730 392.73712
7805.0000 -154.36089 -151.83174 2.52915 1.82343 -151.69411 371.50665
7810.0000 -154.45550 -151.78412 2.67138 1.81096 -151.88736 359.11248
7815.0000 -154.62959 -152.14534 2.48425 1.82165 -151.72167 367.42666
7820.0000 -154.83650 -152.02478 2.81172 1.80798 -151.93349 364.20118
7825.0000 -155.05903 -152.66881 2.39022 1.77170 -152.49565 325.65273
7830.0000 -154.85578 -151.83288 3.02290 1.79558 -152.12560 342.64693
7835.0000 -154.94070 -152.25679 2.68391 1.79348 -152.15819 346.66516
7840.0000 -154.38163 -151.48903 2.89259 1.81993 -151.74831 376.66030
7845.0000 -154.55992 -151.40360 3.15632 1.81719 -151.79085 372.81926
7850.0000 -154.92729 -151.64657 3.28072 1.83675 -151.48774 390.29070
7855.0000 -154.78439 -151.63077 3.15362 1.80846 -151.92603 362.24137
7860.0000 -154.94945 -152.36617 2.58328 1.83023 -151.58881 377.35773
7865.0000 -155.07307 -152.34683 2.72624 1.79586 -152.12131 350.15416
7870.0000 -155.10267 -151.81457 3.28809 1.79218 -152.17832 348.47227
7875.0000 -153.87409 -151.15761 2.71649 1.84379 -151.37858 402.97615
7880.0000 -154.47682 -151.45553 3.02129 1.84536 -151.35424 396.64845
7885.0000 -154.58770 -151.46001 3.12769 1.87063 -150.96276 423.21741
7890.0000 -155.33849 -152.57097 2.76752 1.79487 -152.13674 357.73896
7895.0000 -155.34445 -152.49181 2.85264 1.77759 -152.40443 344.89927
7900.0000 -154.99609 -151.94796 3.04813 1.78227 -152.33189 349.44718
7905.0000 -154.98296 -152.33855 2.64441 1.79317 -152.16295 356.33472
7910.0000 -154.91795 -152.47175 2.44620 1.80344 -152.00383 372.44202
7915.0000 -154.10642 -151.05370 3.05272 1.81610 -151.80777 377.56480
7920.0000 -154.43572 -151.65462 2.78110 1.85426 -151.21644 403.58052
7925.0000 -154.57478 -151.20720 3.36758 1.81932 -151.75774 365.82850
7930.0000 -154.13527 -151.68026 2.45501 1.84264 -151.39646 398.75765
7935.0000 -154.58559 -151.28701 3.29857 1.84164 -151.41190 392.22198
7940.0000 -154.56848 -151.61787 2.95061 1.84148 -151.41446 389.92133
7945.0000 -154.47191 -151.09713 3.37478 1.84426 -151.37130 395.54426
7950.0000 -154.39945 -150.79291 3.60654 1.86140 -151.10580 416.26777
7955.0000 -154.74080 -150.98300 3.75780 1.87620 -150.87631 425.54641
7960.0000 -154.32258 -150.96298 3.35959 1.88066 -150.80730 432.51313
7965.0000 -154.49289 -151.34013 3.15276 1.84932 -151.29285 402.25201
7970.0000 -154.34743 -151.21619 3.13124 1.85458 -151.21143 401.21026
7975.0000 -154.07254 -151.16616 2.90638 1.85610 -151.18782 403.73350
7980.0000 -154.57347 -151.71968 2.85379 1.84860 -151.30410 402.09648
7985.0000 -154.21721 -151.26239 2.95483 1.82479 -151.67308 369.38605
7990.0000 -153.80621 -150.55658 3.24963 1.89546 -150.57788 435.18355
7995.0000 -153.75099 -150.37865 3.37234 1.88126 -150.79791 447.29078
8000.0000 -155.07414 -152.08202 2.99212 1.84489 -151.36160 416.44788
FREEZING PROCESS: loop number 33 T-loop= 357.00000000000000
main_MD> interactions number 33 at Temperature= 357.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83885 -0.08312 -1.01193
force_rgl> df(natom) -0.27666 3.68335 0.95830
8005.0000 -155.08713 -152.45406 2.63307 1.77860 -152.38885 356.54085
8010.0000 -155.75627 -152.89852 2.85775 1.74609 -152.89264 328.42861
8015.0000 -155.54884 -153.02136 2.52747 1.74069 -152.97619 324.78089
8020.0000 -155.26694 -152.43276 2.83418 1.76641 -152.57763 345.48436
8025.0000 -155.27848 -152.14337 3.13511 1.77625 -152.42527 358.90344
8030.0000 -154.74872 -151.67592 3.07280 1.81483 -151.82733 388.41538
8035.0000 -155.16859 -151.37738 3.79121 1.84766 -151.31862 418.48400
8040.0000 -155.20824 -152.35098 2.85726 1.80165 -152.03160 378.64546
8045.0000 -155.02500 -152.10887 2.91612 1.79132 -152.19171 368.96973
8050.0000 -155.42774 -152.83561 2.59212 1.76235 -152.64058 342.39913
8055.0000 -155.15981 -152.81402 2.34580 1.74685 -152.88083 327.74395
8060.0000 -155.41854 -152.99328 2.42526 1.73161 -153.11702 315.71486
8065.0000 -155.17679 -152.62957 2.54722 1.76391 -152.61638 344.82311
8070.0000 -155.22277 -152.48027 2.74250 1.76504 -152.59888 347.52393
8075.0000 -155.47562 -152.42450 3.05112 1.78105 -152.35088 358.99108
8080.0000 -155.15406 -152.21166 2.94239 1.77474 -152.44863 353.75882
8085.0000 -155.23358 -152.89661 2.33697 1.78265 -152.32600 356.87474
8090.0000 -155.29231 -152.64841 2.64389 1.73157 -153.11761 315.90695
8095.0000 -154.92620 -152.24701 2.67919 1.75990 -152.67852 342.12018
8100.0000 -155.32161 -152.31716 3.00445 1.77338 -152.46962 352.27137
8105.0000 -154.61438 -152.41762 2.19676 1.76026 -152.67299 342.26111
8110.0000 -155.41051 -152.45562 2.95488 1.78272 -152.32501 364.85421
8115.0000 -154.89072 -151.61246 3.27826 1.79288 -152.16750 371.53176
8120.0000 -155.32074 -152.33459 2.98615 1.79888 -152.07454 375.10027
8125.0000 -155.12386 -152.44945 2.67442 1.77439 -152.45404 352.96655
8130.0000 -155.33483 -152.74492 2.58991 1.76051 -152.66913 341.31302
8135.0000 -154.64331 -151.98523 2.65808 1.77920 -152.37945 361.53618
8140.0000 -155.54135 -152.48170 3.05966 1.80313 -152.00870 377.03697
8145.0000 -155.20233 -152.58647 2.61585 1.78658 -152.26511 364.45122
8150.0000 -155.59890 -153.16000 2.43890 1.75029 -152.82751 327.52189
8155.0000 -155.13989 -152.36445 2.77544 1.76074 -152.66552 341.66168
8160.0000 -154.75077 -151.93321 2.81756 1.81355 -151.84715 387.05410
8165.0000 -155.66926 -152.95581 2.71345 1.76906 -152.53659 350.01124
8170.0000 -155.19622 -152.96722 2.22901 1.75280 -152.78853 333.58979
8175.0000 -155.36339 -152.64981 2.71357 1.74150 -152.96371 322.74886
8180.0000 -155.50144 -152.21298 3.28846 1.76036 -152.67150 340.52097
8185.0000 -155.21304 -152.71292 2.50012 1.77938 -152.37665 354.57734
8190.0000 -155.36591 -152.41380 2.95211 1.76524 -152.59576 345.53584
8195.0000 -155.16379 -152.87595 2.28785 1.76000 -152.67703 340.90831
8200.0000 -155.24762 -152.25455 2.99307 1.76682 -152.57141 342.16041
8205.0000 -155.79110 -153.43533 2.35578 1.76142 -152.65495 340.93405
8210.0000 -155.63839 -153.05842 2.57997 1.70980 -153.45500 294.31596
8215.0000 -155.80241 -153.78059 2.02182 1.74062 -152.97728 321.82865
8220.0000 -155.60870 -153.26935 2.33935 1.70487 -153.53130 291.60208
8225.0000 -154.81319 -152.25388 2.55931 1.76333 -152.62542 338.95089
8230.0000 -155.48986 -153.01582 2.47404 1.76912 -152.53569 348.96006
8235.0000 -155.37426 -152.28244 3.09182 1.76138 -152.65558 346.25267
8240.0000 -155.50233 -152.52917 2.97316 1.80033 -152.05209 378.50668
8245.0000 -155.04324 -152.23574 2.80750 1.76279 -152.63378 345.83619
8250.0000 -154.99343 -152.50341 2.49002 1.77945 -152.37568 355.31337
FREEZING PROCESS: loop number 34 T-loop= 332.00000000000000
main_MD> interactions number 34 at Temperature= 332.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83761 0.04542 0.08788
force_rgl> df(natom) -2.10233 -2.46930 -4.33634
8255.0000 -155.60695 -152.50889 3.09806 1.75860 -152.69868 339.08919
8260.0000 -155.03821 -152.19864 2.83957 1.79141 -152.19025 370.83751
8265.0000 -155.66132 -152.67965 2.98167 1.77204 -152.49042 352.49492
8270.0000 -155.01523 -152.13463 2.88060 1.77098 -152.50694 351.71690
8275.0000 -155.41115 -153.05731 2.35383 1.75384 -152.77240 333.91423
8280.0000 -155.22569 -153.22376 2.00193 1.73160 -153.11704 311.55103
8285.0000 -155.69948 -152.39900 3.30048 1.76370 -152.61962 343.99699
8290.0000 -155.58474 -153.38052 2.20422 1.74967 -152.83710 335.37662
8295.0000 -155.45597 -152.70584 2.75013 1.72626 -153.19980 313.54678
8300.0000 -154.95508 -152.32042 2.63467 1.76675 -152.57236 345.26178
8305.0000 -155.50236 -152.72667 2.77570 1.75350 -152.77769 334.96887
8310.0000 -154.98788 -152.44732 2.54056 1.78445 -152.29822 362.31266
8315.0000 -155.24427 -152.32030 2.92396 1.78590 -152.27569 369.62982
8320.0000 -155.06646 -152.31740 2.74906 1.78128 -152.34719 365.61584
8325.0000 -155.11385 -152.73419 2.37966 1.79086 -152.19883 366.83648
8330.0000 -156.05514 -153.10378 2.95136 1.74327 -152.93633 319.39539
8335.0000 -155.46870 -153.37083 2.09787 1.73119 -153.12353 313.81174
8340.0000 -154.95236 -152.38995 2.56241 1.75902 -152.69216 336.64114
8345.0000 -155.88545 -153.07095 2.81450 1.75321 -152.78227 332.39032
8350.0000 -155.51479 -152.89075 2.62404 1.74176 -152.95972 320.86912
8355.0000 -155.14589 -152.43653 2.70936 1.76265 -152.63599 344.48250
8360.0000 -155.40980 -152.96756 2.44224 1.75631 -152.73425 333.90310
8365.0000 -154.88180 -152.46436 2.41744 1.75306 -152.78458 334.69186
8370.0000 -155.17071 -152.55953 2.61118 1.76327 -152.62632 342.86215
8375.0000 -155.11631 -152.44096 2.67535 1.77814 -152.39588 356.52982
8380.0000 -155.39645 -152.70419 2.69226 1.76458 -152.60604 345.70118
8385.0000 -155.75246 -152.80740 2.94506 1.73914 -153.00032 324.94055
8390.0000 -155.22956 -152.64190 2.58766 1.73232 -153.10601 314.70105
8395.0000 -155.25889 -152.62409 2.63479 1.74368 -152.92988 329.01616
8400.0000 -155.00431 -152.19898 2.80532 1.78250 -152.32844 363.75213
8405.0000 -155.62614 -152.99046 2.63568 1.75434 -152.76466 336.05213
8410.0000 -155.62230 -153.24031 2.38199 1.73513 -153.06236 315.72355
8415.0000 -155.30408 -152.96647 2.33761 1.71974 -153.30094 309.24299
8420.0000 -155.33936 -152.79633 2.54302 1.75407 -152.76896 334.89065
8425.0000 -155.40856 -152.52155 2.88701 1.75640 -152.73283 336.90059
8430.0000 -155.46412 -152.42412 3.03999 1.77752 -152.40553 355.46320
8435.0000 -155.13398 -152.90077 2.23321 1.74511 -152.90773 322.77576
8440.0000 -155.60097 -153.32536 2.27561 1.72696 -153.18899 307.09353
8445.0000 -155.35552 -152.88531 2.47021 1.72749 -153.18081 309.15420
8450.0000 -155.50868 -153.10882 2.39985 1.73856 -153.00919 322.44619
8455.0000 -155.56800 -152.98332 2.58468 1.73106 -153.12546 315.88886
8460.0000 -155.23797 -152.49147 2.74650 1.76243 -152.63930 340.41557
8465.0000 -155.40148 -152.86932 2.53216 1.74858 -152.85394 327.86180
8470.0000 -155.64175 -153.05048 2.59128 1.74820 -152.85984 331.74503
8475.0000 -155.86116 -153.60277 2.25839 1.73480 -153.06759 319.91603
8480.0000 -155.47785 -152.81092 2.66693 1.74430 -152.92036 323.92293
8485.0000 -155.75449 -153.35729 2.39720 1.72986 -153.14400 312.39759
8490.0000 -155.41622 -153.11545 2.30077 1.71165 -153.42628 297.61511
8495.0000 -155.65898 -153.17133 2.48765 1.72585 -153.20620 306.40033
8500.0000 -155.87724 -153.23199 2.64525 1.71434 -153.38462 297.29559
FREEZING PROCESS: loop number 35 T-loop= 307.00000000000000
main_MD> interactions number 35 at Temperature= 307.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89593 -1.46512 0.98224
force_rgl> df(natom) 0.29764 0.93524 0.05034
8505.0000 -155.24539 -152.68348 2.56191 1.74239 -152.94984 324.13485
8510.0000 -156.00865 -153.57359 2.43506 1.72158 -153.27239 305.33653
8515.0000 -155.58382 -153.44465 2.13917 1.70973 -153.45599 295.76444
8520.0000 -156.06840 -153.68280 2.38559 1.70365 -153.55022 288.27295
8525.0000 -155.51813 -153.17089 2.34723 1.70441 -153.53840 287.46737
8530.0000 -155.24638 -153.03625 2.21014 1.73069 -153.13122 318.25267
8535.0000 -155.28611 -152.90401 2.38210 1.74676 -152.88219 323.85499
8540.0000 -156.20461 -153.70086 2.50376 1.72663 -153.19413 309.09671
8545.0000 -155.64231 -153.23244 2.40987 1.71787 -153.32989 300.39835
8550.0000 -155.64993 -153.22224 2.42769 1.72663 -153.19406 309.68104
8555.0000 -155.82242 -153.75339 2.06904 1.71081 -153.43921 294.23310
8560.0000 -155.85258 -153.20563 2.64695 1.71053 -153.44359 294.40994
8565.0000 -155.68916 -153.28870 2.40046 1.72657 -153.19508 309.50144
8570.0000 -155.78429 -153.48218 2.30211 1.70830 -153.47820 293.66975
8575.0000 -155.38870 -153.07159 2.31711 1.72970 -153.14655 311.47274
8580.0000 -156.07085 -153.55340 2.51745 1.73463 -153.07016 320.22163
8585.0000 -155.55691 -153.46171 2.09520 1.71792 -153.32916 302.40753
8590.0000 -155.77738 -153.33491 2.44246 1.72786 -153.17501 309.73171
8595.0000 -156.20776 -153.82321 2.38456 1.69840 -153.63150 283.69422
8600.0000 -155.48230 -153.25099 2.23131 1.71472 -153.37864 299.75295
8605.0000 -155.73513 -153.74009 1.99504 1.70636 -153.50826 293.64895
8610.0000 -155.65418 -153.27812 2.37606 1.71359 -153.39613 299.88520
8615.0000 -155.78945 -153.11397 2.67548 1.72409 -153.23346 314.56499
8620.0000 -155.82944 -153.61951 2.20993 1.71877 -153.31585 303.63704
8625.0000 -155.88357 -153.42216 2.46141 1.69629 -153.66426 282.96548
8630.0000 -155.73332 -153.28794 2.44538 1.71433 -153.38473 298.79957
8635.0000 -155.35939 -152.90604 2.45335 1.73077 -153.12991 308.60267
8640.0000 -155.67071 -153.26614 2.40457 1.71908 -153.31119 304.21517
8645.0000 -155.83170 -153.68489 2.14681 1.72339 -153.24427 307.64157
8650.0000 -155.90531 -153.16062 2.74469 1.73197 -153.11144 316.74149
8655.0000 -155.23395 -152.63286 2.60109 1.75114 -152.81424 332.51842
8660.0000 -155.11813 -152.70046 2.41767 1.75216 -152.79851 338.17236
8665.0000 -155.71816 -153.33766 2.38050 1.74237 -152.95022 325.78117
8670.0000 -156.04491 -153.61646 2.42845 1.71353 -153.39706 296.83696
8675.0000 -155.82510 -153.30628 2.51882 1.72506 -153.21851 306.73907
8680.0000 -155.79806 -152.89630 2.90176 1.72323 -153.24680 304.62265
8685.0000 -156.03188 -153.63324 2.39864 1.72062 -153.28725 304.44485
8690.0000 -155.88092 -153.39337 2.48755 1.69355 -153.70671 280.22699
8695.0000 -155.47937 -152.83997 2.63941 1.72503 -153.21892 310.06181
8700.0000 -155.44592 -152.81479 2.63113 1.75982 -152.67988 340.07384
8705.0000 -155.95997 -154.04717 1.91281 1.71223 -153.41723 298.68087
8710.0000 -155.67641 -153.55958 2.11683 1.69666 -153.65847 281.64004
8715.0000 -155.57997 -153.26676 2.31321 1.72310 -153.24884 308.24762
8720.0000 -155.78623 -153.33707 2.44915 1.72784 -153.17535 313.93403
8725.0000 -155.57766 -153.45404 2.12361 1.70029 -153.60226 286.70405
8730.0000 -155.55272 -153.56475 1.98797 1.71104 -153.43566 297.75546
8735.0000 -155.63250 -153.06529 2.56721 1.71835 -153.32250 302.26116
8740.0000 -155.77522 -153.54347 2.23175 1.70971 -153.45627 292.53074
8745.0000 -156.11246 -153.44579 2.66667 1.70210 -153.57425 290.25350
8750.0000 -155.74417 -153.46922 2.27494 1.72356 -153.24177 306.46015
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 3.6891227 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink