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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_47/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_47.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 = 47 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 47 4700
main_MD> Size of nv and nvoiz: 47 4700
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 = 47
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.14428108703347389 1.8692592278778997E-002 -0.13991376256178981 initial drift of cluster / NP1 for coalescence
init> 0.33390053000675968 0.30827794952079768 0.28507629945936969 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7898466252089709E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95918 0.25735 0.67371
force_rgl> df(natom) -1.56792 -0.67697 -0.07356
preparo> THERMALIZATION PROCESS AT 1243.1497240786573
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -100.88591864505864 6.4900602643392578 -107.37597890939790 6.2848503672515777E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1221.0000000000000
main_MD> interactions number 1 at Temperature= 1221.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.35187 1.52404 2.21586
force_rgl> df(natom) -3.08433 1.09910 2.48488
5.0000 -108.81445 -101.68530 7.12915 2.86705 -101.31064 1179.69845
10.0000 -108.06791 -101.30704 6.76087 2.94182 -100.33685 1238.00852
15.0000 -107.14375 -100.37476 6.76899 2.91221 -100.72252 1202.83045
20.0000 -107.84684 -99.60502 8.24182 2.97342 -99.92523 1316.53011
25.0000 -109.13292 -102.60746 6.52547 2.81037 -102.04884 1153.18590
30.0000 -109.38046 -101.28468 8.09578 2.88755 -101.04361 1245.96234
35.0000 -110.83283 -103.04412 7.78871 2.77082 -102.56390 1089.50652
40.0000 -107.19951 -100.85830 6.34121 2.80332 -102.14063 1154.60391
45.0000 -108.82853 -102.86796 5.96056 2.80712 -102.09112 1160.89096
50.0000 -110.10919 -103.10950 6.99969 2.76089 -102.69316 1141.01944
55.0000 -109.89740 -101.63491 8.26248 2.79338 -102.27010 1165.10980
60.0000 -107.80604 -100.50333 7.30271 2.87384 -101.22216 1197.21420
65.0000 -105.65768 -97.81677 7.84090 3.08184 -98.51328 1376.12675
70.0000 -107.73369 -100.16178 7.57191 3.00156 -99.55878 1271.13165
75.0000 -109.59031 -101.73138 7.85893 2.88201 -101.11574 1191.34152
80.0000 -108.02077 -100.73320 7.28756 2.87450 -101.21355 1191.56096
85.0000 -107.58468 -100.29141 7.29327 2.92907 -100.50287 1204.75420
90.0000 -107.39181 -100.38572 7.00609 2.93234 -100.46035 1206.80816
95.0000 -108.14373 -100.49804 7.64570 2.99535 -99.63966 1312.00764
100.0000 -107.29411 -98.92549 8.36863 3.10105 -98.26310 1388.46318
105.0000 -108.09546 -101.00170 7.09377 2.98737 -99.74358 1226.80640
110.0000 -108.69853 -100.53847 8.16005 2.92885 -100.50582 1253.36034
115.0000 -107.82156 -98.97371 8.84785 2.94438 -100.30345 1288.51948
120.0000 -105.78677 -98.79153 6.99524 3.09672 -98.31953 1342.23856
125.0000 -106.08266 -99.27490 6.80776 2.96435 -100.04343 1189.18631
130.0000 -107.55595 -99.84442 7.71153 3.00499 -99.51412 1258.42997
135.0000 -108.68889 -101.59153 7.09736 2.86127 -101.38583 1176.65552
140.0000 -109.59998 -102.53598 7.06400 2.77525 -102.50616 1144.95970
145.0000 -109.85848 -102.74179 7.11670 2.83824 -101.68588 1157.44373
150.0000 -109.11568 -102.11624 6.99944 2.74283 -102.92841 1118.10084
155.0000 -109.22071 -103.33626 5.88445 2.78362 -102.39717 1150.88302
160.0000 -108.48661 -101.37070 7.11590 2.80973 -102.05706 1111.13869
165.0000 -109.46999 -100.90794 8.56204 2.90437 -100.82460 1225.23433
170.0000 -108.39999 -100.84238 7.55760 2.88073 -101.13240 1171.53831
175.0000 -105.21221 -97.82324 7.38897 3.08016 -98.53517 1356.66966
180.0000 -106.34209 -97.72076 8.62133 3.13680 -97.79752 1388.58757
185.0000 -106.24029 -98.00793 8.23236 3.07664 -98.58101 1330.17766
190.0000 -106.24820 -98.85144 7.39676 3.06658 -98.71200 1341.72186
195.0000 -108.72231 -98.93475 9.78756 3.06883 -98.68266 1375.39056
200.0000 -107.70271 -99.54340 8.15931 2.94659 -100.27471 1250.58107
205.0000 -108.42110 -101.49304 6.92805 2.85137 -101.51484 1167.55355
210.0000 -108.34609 -100.97315 7.37294 2.89983 -100.88376 1232.23727
215.0000 -108.97553 -102.30288 6.67265 2.86662 -101.31624 1168.34601
220.0000 -108.40384 -101.71664 6.68719 2.81753 -101.95549 1143.88303
225.0000 -107.63539 -100.73550 6.89989 2.87057 -101.26483 1195.39890
230.0000 -109.85311 -103.38795 6.46516 2.73958 -102.97071 1103.32199
235.0000 -108.72573 -101.79667 6.92906 2.80758 -102.08514 1093.85464
240.0000 -107.93619 -101.64228 6.29391 2.85216 -101.50456 1181.23585
245.0000 -107.97437 -98.47781 9.49655 3.02857 -99.20705 1348.09622
250.0000 -107.51270 -100.52055 6.99215 3.02314 -99.27778 1339.95078
FREEZING PROCESS: loop number 2 T-loop= 1196.0000000000000
main_MD> interactions number 2 at Temperature= 1196.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.63126 1.78904 0.68177
force_rgl> df(natom) -2.08007 2.95848 0.35915
255.0000 -108.58063 -100.93257 7.64806 2.88631 -101.05975 1169.24476
260.0000 -106.15219 -98.07240 8.07979 3.04648 -98.97375 1319.20343
265.0000 -105.66402 -97.21611 8.44791 3.08650 -98.45264 1430.77428
270.0000 -107.98185 -99.72426 8.25759 3.05340 -98.88363 1342.46905
275.0000 -108.21268 -99.99117 8.22151 2.97246 -99.93777 1245.65822
280.0000 -108.51306 -100.48632 8.02673 2.96173 -100.07756 1275.61097
285.0000 -108.41926 -101.46483 6.95443 2.95609 -100.15099 1276.03726
290.0000 -105.28410 -98.91419 6.36990 2.92256 -100.58765 1233.94373
295.0000 -107.20039 -100.83164 6.36874 2.97052 -99.96309 1250.77163
300.0000 -108.80125 -101.34684 7.45441 2.83075 -101.78338 1143.52452
305.0000 -109.25615 -102.72892 6.52723 2.81143 -102.03501 1151.81554
310.0000 -106.89225 -99.42559 7.46666 2.89639 -100.92852 1180.68181
315.0000 -107.17013 -100.70711 6.46302 2.90961 -100.75630 1196.98807
320.0000 -107.47170 -101.40809 6.06361 2.94888 -100.24484 1234.96523
325.0000 -106.69494 -98.24104 8.45390 3.03025 -99.18516 1298.28197
330.0000 -108.51454 -101.81134 6.70320 2.94122 -100.34469 1223.99389
335.0000 -108.88730 -102.57168 6.31561 2.79846 -102.20384 1160.57736
340.0000 -110.36016 -103.29669 7.06347 2.82196 -101.89785 1195.29364
345.0000 -107.80964 -103.37204 4.43760 2.74005 -102.96463 1047.45824
350.0000 -108.97586 -101.40757 7.56830 2.78333 -102.40092 1117.40596
355.0000 -109.35365 -103.61141 5.74224 2.85326 -101.49026 1180.02548
360.0000 -109.32589 -101.75472 7.57117 2.78487 -102.38093 1144.66340
365.0000 -107.63510 -100.36432 7.27078 2.84357 -101.61646 1157.87046
370.0000 -106.32427 -98.01143 8.31283 3.05015 -98.92595 1301.79875
375.0000 -108.78684 -100.60007 8.18677 2.97981 -99.84205 1264.59174
380.0000 -108.83754 -100.91728 7.92025 2.90515 -100.81447 1261.93789
385.0000 -108.71862 -102.09921 6.61941 2.87241 -101.24078 1172.58098
390.0000 -108.09295 -100.72347 7.36947 2.93113 -100.47600 1184.90767
395.0000 -109.68283 -102.28176 7.40107 2.93323 -100.44874 1209.69435
400.0000 -109.33579 -101.67408 7.66171 2.81497 -101.98882 1106.16914
405.0000 -107.06463 -100.83196 6.23267 2.87530 -101.20312 1202.43022
410.0000 -106.45978 -98.83988 7.61991 3.01311 -99.40837 1266.18495
415.0000 -108.60338 -100.68125 7.92213 2.97959 -99.84499 1272.57150
420.0000 -108.02356 -100.36068 7.66288 2.95933 -100.10873 1238.67929
425.0000 -110.89277 -102.76332 8.12945 2.82597 -101.84561 1121.31359
430.0000 -108.64046 -101.59306 7.04740 2.82134 -101.90590 1142.39731
435.0000 -108.14153 -101.17027 6.97126 2.83427 -101.73749 1161.80256
440.0000 -108.24589 -101.57315 6.67275 2.84075 -101.65313 1185.14804
445.0000 -109.49277 -101.83777 7.65500 2.81933 -101.93215 1146.66535
450.0000 -108.62011 -99.88765 8.73246 2.91692 -100.66114 1243.87079
455.0000 -108.77300 -102.52528 6.24772 2.92952 -100.49697 1257.66407
460.0000 -109.06896 -103.35284 5.71612 2.74284 -102.92825 1092.73174
465.0000 -109.59939 -102.27636 7.32303 2.76433 -102.64842 1080.41992
470.0000 -109.69343 -103.11303 6.58040 2.83202 -101.76680 1166.16563
475.0000 -107.93791 -99.45853 8.47939 2.91724 -100.65701 1237.35887
480.0000 -106.80986 -98.92707 7.88279 2.97746 -99.87264 1234.38705
485.0000 -108.02748 -100.89116 7.13632 2.95643 -100.14661 1263.70038
490.0000 -108.37965 -100.87603 7.50362 2.85242 -101.50109 1202.60718
495.0000 -109.81997 -103.17080 6.64917 2.85897 -101.41588 1183.07495
500.0000 -109.00128 -100.38397 8.61731 2.77171 -102.55233 1109.84985
FREEZING PROCESS: loop number 3 T-loop= 1171.0000000000000
main_MD> interactions number 3 at Temperature= 1171.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62634 9.20775 -5.77666
force_rgl> df(natom) -3.07705 7.96736 6.84968
505.0000 -107.52270 -100.37399 7.14871 2.90345 -100.83658 1213.76274
510.0000 -106.46878 -99.22834 7.24044 3.00768 -99.47912 1233.46705
515.0000 -108.85652 -101.34691 7.50961 2.94031 -100.35645 1197.56622
520.0000 -108.10258 -101.66868 6.43390 2.86323 -101.36042 1176.39418
525.0000 -110.00244 -103.14147 6.86097 2.74772 -102.86470 1119.81978
530.0000 -110.12626 -101.68613 8.44013 2.75404 -102.78245 1095.86058
535.0000 -110.22355 -103.02672 7.19683 2.78926 -102.32376 1127.52110
540.0000 -108.23883 -101.37778 6.86105 2.76814 -102.59879 1133.67376
545.0000 -106.17158 -100.00830 6.16327 2.81136 -102.03591 1167.41406
550.0000 -108.30849 -101.45030 6.85820 2.95411 -100.17681 1305.93783
555.0000 -108.36233 -102.20588 6.15645 2.86348 -101.35717 1153.64190
560.0000 -107.87254 -100.85611 7.01643 2.85395 -101.48125 1172.23287
565.0000 -108.66147 -101.73319 6.92829 2.81779 -101.95210 1157.07923
570.0000 -108.45840 -99.84695 8.61145 2.91856 -100.63982 1258.46771
575.0000 -107.64489 -101.16267 6.48222 2.83847 -101.68277 1141.53926
580.0000 -110.29959 -101.83985 8.45973 2.85836 -101.42379 1202.71395
585.0000 -108.60856 -101.84021 6.76835 2.78205 -102.41766 1125.69098
590.0000 -107.32637 -100.38363 6.94274 2.88062 -101.13390 1231.47766
595.0000 -109.12635 -102.18994 6.93642 2.85297 -101.49402 1170.89951
600.0000 -109.53381 -102.19186 7.34195 2.76979 -102.57735 1107.83795
605.0000 -106.46906 -100.85585 5.61320 2.87043 -101.26657 1177.43919
610.0000 -105.54637 -96.85355 8.69281 3.02268 -99.28378 1229.14855
615.0000 -106.58485 -96.99865 9.58620 3.18289 -97.19717 1439.14282
620.0000 -108.43696 -101.05960 7.37736 3.07090 -98.65569 1381.97736
625.0000 -107.69730 -101.03363 6.66368 2.91086 -100.74008 1174.07297
630.0000 -110.21553 -102.30252 7.91301 2.86506 -101.33647 1144.46215
635.0000 -108.36978 -101.01706 7.35272 2.86955 -101.27806 1152.20993
640.0000 -109.53002 -103.22259 6.30743 2.81463 -101.99327 1155.87281
645.0000 -109.71682 -102.91562 6.80121 2.77925 -102.45410 1159.04119
650.0000 -107.89420 -101.60614 6.28806 2.83031 -101.78915 1157.48702
655.0000 -107.40087 -100.60636 6.79451 2.86599 -101.32441 1191.89864
660.0000 -108.31071 -100.36388 7.94682 2.92989 -100.49224 1202.45776
665.0000 -108.83988 -101.03573 7.80415 2.82632 -101.84108 1166.11139
670.0000 -108.35839 -99.28083 9.07756 2.85938 -101.41052 1225.45168
675.0000 -106.68808 -99.09946 7.58861 3.03489 -99.12476 1347.72452
680.0000 -108.97966 -100.83122 8.14844 2.91771 -100.65077 1277.14311
685.0000 -108.27703 -100.27807 7.99896 2.94623 -100.27940 1293.85257
690.0000 -108.32377 -99.17934 9.14443 2.92504 -100.55540 1262.10007
695.0000 -108.83507 -101.55127 7.28380 2.93038 -100.48578 1232.14522
700.0000 -108.17947 -101.03247 7.14699 2.89146 -100.99276 1247.15777
705.0000 -109.59401 -103.16829 6.42572 2.93300 -100.45171 1231.62935
710.0000 -110.85200 -105.25788 5.59412 2.61726 -104.56377 970.54751
715.0000 -106.85261 -100.42621 6.42640 2.78156 -102.42403 1128.73509
720.0000 -109.01953 -102.40351 6.61602 2.91992 -100.62205 1225.29158
725.0000 -108.65870 -102.15669 6.50201 2.87199 -101.24627 1206.37335
730.0000 -108.69341 -101.39897 7.29444 2.78942 -102.32168 1146.39822
735.0000 -109.46273 -101.25806 8.20466 2.88098 -101.12916 1196.87854
740.0000 -107.73943 -100.36684 7.37260 2.91255 -100.71801 1198.91401
745.0000 -108.71518 -101.24691 7.46827 2.88943 -101.01915 1209.80192
750.0000 -107.50221 -101.23060 6.27161 2.90548 -100.81010 1221.66848
FREEZING PROCESS: loop number 4 T-loop= 1146.0000000000000
main_MD> interactions number 4 at Temperature= 1146.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43864 -2.74644 1.18474
force_rgl> df(natom) 0.48318 -3.34642 -0.10751
755.0000 -107.49855 -100.73907 6.75948 2.89013 -101.01008 1218.37218
760.0000 -108.74149 -101.99884 6.74265 2.84520 -101.59515 1177.27295
765.0000 -109.90657 -102.74132 7.16525 2.73184 -103.07155 1080.08737
770.0000 -109.06125 -101.12887 7.93239 2.85640 -101.44933 1205.93214
775.0000 -108.57238 -100.30478 8.26760 2.84538 -101.59277 1173.30113
780.0000 -107.46639 -100.61382 6.85258 2.95045 -100.22442 1192.95918
785.0000 -107.56501 -99.49170 8.07331 3.02754 -99.22039 1342.64303
790.0000 -108.25654 -99.81628 8.44027 2.98093 -99.82742 1285.21305
795.0000 -110.25939 -102.96427 7.29512 2.83054 -101.78604 1167.01274
800.0000 -110.22595 -103.53025 6.69571 2.74953 -102.84110 1080.18324
805.0000 -110.13841 -102.00984 8.12857 2.68297 -103.70805 1063.14876
810.0000 -110.06631 -102.82710 7.23920 2.79119 -102.29857 1151.13931
815.0000 -108.74870 -102.21171 6.53699 2.72599 -103.14773 1092.13807
820.0000 -108.83412 -102.32245 6.51166 2.85298 -101.49386 1175.31334
825.0000 -108.25338 -100.69709 7.55629 2.91029 -100.74753 1164.12290
830.0000 -108.48932 -101.29377 7.19555 2.90343 -100.83678 1197.32458
835.0000 -108.02590 -100.12432 7.90158 2.95931 -100.10903 1297.72271
840.0000 -107.76962 -101.71856 6.05106 2.89305 -100.97202 1222.31090
845.0000 -107.51262 -100.22535 7.28727 2.88576 -101.06698 1218.68236
850.0000 -109.00716 -102.31743 6.68972 2.91571 -100.67689 1212.69144
855.0000 -109.12602 -102.03506 7.09096 2.88850 -101.03123 1181.19428
860.0000 -108.19326 -100.55841 7.63485 2.92000 -100.62104 1226.83830
865.0000 -108.13090 -100.81796 7.31294 2.90345 -100.83649 1218.58891
870.0000 -110.16824 -102.90955 7.25869 2.80871 -102.07037 1147.50808
875.0000 -107.73552 -101.33130 6.40422 2.78394 -102.39300 1110.84475
880.0000 -109.62349 -101.50059 8.12290 2.86512 -101.33570 1169.86473
885.0000 -107.73844 -101.63566 6.10278 2.87367 -101.22440 1131.37352
890.0000 -106.12611 -98.51422 7.61189 2.97105 -99.95621 1236.59902
895.0000 -107.08617 -99.15080 7.93538 3.03683 -99.09947 1337.94359
900.0000 -109.59380 -103.38066 6.21314 2.85449 -101.47425 1195.29042
905.0000 -109.40369 -102.12342 7.28027 2.74991 -102.83620 1104.32052
910.0000 -108.66461 -101.85327 6.81134 2.80794 -102.08043 1172.65012
915.0000 -109.95462 -103.00533 6.94929 2.72298 -103.18697 1087.86886
920.0000 -110.83487 -104.58441 6.25047 2.64202 -104.24131 1051.20309
925.0000 -109.59847 -104.54805 5.05042 2.62668 -104.44113 1003.84580
930.0000 -111.13785 -105.27926 5.85859 2.58951 -104.92523 941.19439
935.0000 -109.09806 -102.37385 6.72421 2.69416 -103.56225 1020.25951
940.0000 -110.56611 -103.32978 7.23633 2.76511 -102.63819 1079.15134
945.0000 -108.60770 -101.77730 6.83040 2.77666 -102.48781 1070.76391
950.0000 -107.09567 -100.08318 7.01249 2.88616 -101.06176 1214.56437
955.0000 -106.33786 -97.90083 8.43703 3.02961 -99.19350 1288.74149
960.0000 -107.15740 -100.54014 6.61726 3.04920 -98.93836 1263.75488
965.0000 -108.55823 -100.93981 7.61841 2.87409 -101.21890 1187.54272
970.0000 -108.28224 -100.69954 7.58269 2.87709 -101.17987 1226.47492
975.0000 -109.37190 -101.88412 7.48778 2.86355 -101.35613 1151.26658
980.0000 -108.35980 -101.42072 6.93908 2.87007 -101.27124 1155.58756
985.0000 -109.32155 -102.39858 6.92298 2.84285 -101.62583 1160.25237
990.0000 -109.49007 -101.25028 8.23980 2.80266 -102.14915 1134.28146
995.0000 -107.96992 -99.93098 8.03894 2.91438 -100.69415 1208.14494
1000.0000 -108.47866 -99.84077 8.63789 2.91887 -100.63578 1224.24043
FREEZING PROCESS: loop number 5 T-loop= 1121.0000000000000
main_MD> interactions number 5 at Temperature= 1121.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.05889 0.87575 -1.32705
force_rgl> df(natom) -2.10130 0.35457 -1.19043
1005.0000 -109.69378 -102.80296 6.89082 2.87011 -101.27076 1169.82571
1010.0000 -110.03241 -101.50498 8.52744 2.77391 -102.52366 1108.21720
1015.0000 -109.14778 -103.53404 5.61374 2.79365 -102.26650 1151.26914
1020.0000 -110.32535 -104.55637 5.76898 2.66104 -103.99360 1043.47869
1025.0000 -109.21289 -102.50080 6.71209 2.72683 -103.13685 1101.48914
1030.0000 -108.89112 -101.39041 7.50071 2.77786 -102.47225 1104.13343
1035.0000 -110.98282 -103.86346 7.11936 2.76190 -102.68004 1114.17420
1040.0000 -109.32536 -102.85546 6.46989 2.71563 -103.28269 1075.04635
1045.0000 -110.07588 -102.78578 7.29010 2.74681 -102.87652 1073.78043
1050.0000 -109.64217 -101.74393 7.89824 2.83293 -101.75501 1149.98523
1055.0000 -108.71461 -101.61668 7.09794 2.82268 -101.88843 1155.62767
1060.0000 -110.06653 -104.22313 5.84340 2.77635 -102.49184 1077.66256
1065.0000 -109.26131 -102.85395 6.40736 2.71966 -103.23012 1069.09626
1070.0000 -109.02370 -102.39319 6.63051 2.79851 -102.20327 1123.57211
1075.0000 -107.84311 -101.37631 6.46680 2.82973 -101.79662 1098.80143
1080.0000 -108.79190 -102.14297 6.64893 2.74637 -102.88229 1044.37660
1085.0000 -109.11851 -101.04065 8.07786 2.81750 -101.95589 1161.65923
1090.0000 -106.80314 -100.73389 6.06925 2.89874 -100.89785 1196.87832
1095.0000 -108.27240 -99.79922 8.47318 2.89659 -100.92587 1229.24637
1100.0000 -107.68508 -100.97206 6.71302 3.00517 -99.51185 1281.30456
1105.0000 -105.93230 -98.04532 7.88699 2.90913 -100.76262 1221.81746
1110.0000 -108.30228 -103.16797 5.13430 2.91231 -100.72115 1229.67199
1115.0000 -108.56310 -102.58665 5.97644 2.78834 -102.33567 1147.61039
1120.0000 -108.06419 -101.75255 6.31165 2.75144 -102.81631 1068.97667
1125.0000 -107.28072 -100.94638 6.33434 2.85122 -101.51675 1171.55519
1130.0000 -106.62595 -99.59465 7.03130 2.97917 -99.85044 1249.25541
1135.0000 -109.19550 -102.68485 6.51065 2.85771 -101.43222 1200.17913
1140.0000 -109.71197 -102.25121 7.46076 2.76846 -102.59458 1099.62568
1145.0000 -109.47331 -102.56629 6.90703 2.81389 -102.00291 1132.30764
1150.0000 -108.64421 -102.01360 6.63061 2.80267 -102.14905 1119.60320
1155.0000 -107.99306 -101.28475 6.70831 2.84228 -101.63315 1116.37777
1160.0000 -109.05938 -102.18099 6.87839 2.84516 -101.59566 1171.92118
1165.0000 -109.37753 -102.07000 7.30753 2.85403 -101.48016 1137.84629
1170.0000 -108.08733 -101.44990 6.63743 2.85651 -101.44786 1146.54850
1175.0000 -109.34569 -103.32370 6.02199 2.76866 -102.59204 1089.26505
1180.0000 -109.47867 -101.89634 7.58233 2.79166 -102.29251 1140.98555
1185.0000 -107.44735 -100.13947 7.30789 2.87360 -101.22532 1185.40577
1190.0000 -109.70629 -103.10199 6.60430 2.77217 -102.54629 1099.22795
1195.0000 -109.40894 -102.87644 6.53249 2.78876 -102.33024 1148.70071
1200.0000 -109.61790 -102.56435 7.05355 2.79125 -102.29776 1132.95031
1205.0000 -109.27543 -102.76156 6.51387 2.75998 -102.70510 1109.63402
1210.0000 -109.16731 -103.05509 6.11221 2.75651 -102.75031 1109.39561
1215.0000 -108.58125 -100.64420 7.93705 2.94082 -100.34982 1235.46797
1220.0000 -110.20969 -103.58126 6.62844 2.78007 -102.44345 1144.84122
1225.0000 -111.16558 -104.91146 6.25412 2.66609 -103.92781 1013.25834
1230.0000 -109.88639 -103.09356 6.79283 2.64336 -104.22384 1020.49920
1235.0000 -108.87208 -102.92237 5.94970 2.68634 -103.66417 1023.77949
1240.0000 -107.34483 -99.27741 8.06742 2.84112 -101.64825 1157.83742
1245.0000 -106.45878 -99.67731 6.78147 2.96890 -99.98413 1252.07948
1250.0000 -109.05992 -100.64038 8.41954 3.05937 -98.80588 1293.86381
FREEZING PROCESS: loop number 6 T-loop= 1096.0000000000000
main_MD> interactions number 6 at Temperature= 1096.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65566 -0.98778 2.39975
force_rgl> df(natom) -1.36192 -0.42382 -0.41733
1255.0000 -106.77174 -98.02667 8.74507 2.95447 -100.17204 1213.72785
1260.0000 -109.00771 -102.63718 6.37053 2.90645 -100.79750 1259.13929
1265.0000 -110.01404 -101.96182 8.05222 2.77223 -102.54557 1114.21722
1270.0000 -108.95519 -100.69746 8.25773 2.81928 -101.93273 1140.83162
1275.0000 -108.61738 -102.46139 6.15599 2.81972 -101.92696 1138.03110
1280.0000 -109.73782 -103.88638 5.85144 2.73132 -103.07825 1051.32773
1285.0000 -111.39218 -104.64364 6.74854 2.71142 -103.33749 1070.44160
1290.0000 -109.08863 -102.98038 6.10825 2.70733 -103.39078 1056.88950
1295.0000 -109.29411 -102.62430 6.66981 2.82417 -101.86901 1149.38067
1300.0000 -106.96635 -99.59537 7.37098 2.85894 -101.41622 1206.21835
1305.0000 -108.32493 -101.28992 7.03501 2.99060 -99.70157 1321.94453
1310.0000 -109.04769 -101.39166 7.65603 2.84622 -101.58191 1215.60336
1315.0000 -108.30923 -102.20024 6.10899 2.74009 -102.96408 1127.01843
1320.0000 -108.91599 -102.68489 6.23110 2.73900 -102.97828 1117.23376
1325.0000 -109.34220 -103.49067 5.85153 2.69813 -103.51051 1062.47816
1330.0000 -109.71526 -103.84275 5.87251 2.70873 -103.37255 1075.21780
1335.0000 -109.37106 -101.75117 7.61990 2.78299 -102.40536 1135.70329
1340.0000 -109.10447 -102.97867 6.12580 2.76271 -102.66950 1120.81374
1345.0000 -107.36875 -101.03047 6.33828 2.77304 -102.53496 1101.98201
1350.0000 -109.31747 -102.22597 7.09150 2.89411 -100.95821 1145.10406
1355.0000 -110.37189 -103.19366 7.17823 2.76811 -102.59911 1084.15637
1360.0000 -109.71960 -102.91679 6.80282 2.75793 -102.73180 1142.31262
1365.0000 -108.99944 -101.87136 7.12808 2.85906 -101.41469 1191.09506
1370.0000 -109.92731 -103.35256 6.57475 2.78697 -102.35357 1141.38308
1375.0000 -109.46203 -103.21454 6.24749 2.69314 -103.57550 1099.01251
1380.0000 -110.47265 -104.55834 5.91431 2.67842 -103.76725 1027.75248
1385.0000 -110.24606 -102.85433 7.39173 2.73820 -102.98868 1117.18126
1390.0000 -107.90336 -101.95834 5.94502 2.77665 -102.48797 1124.02157
1395.0000 -109.99756 -103.73494 6.26262 2.70896 -103.36949 1040.15981
1400.0000 -109.86768 -103.65993 6.20775 2.64995 -104.13809 1035.78047
1405.0000 -109.54980 -102.52050 7.02930 2.70117 -103.47103 1045.15765
1410.0000 -108.85974 -100.82038 8.03936 2.88104 -101.12837 1171.99675
1415.0000 -109.80888 -102.91895 6.88993 2.86212 -101.37479 1190.19085
1420.0000 -110.20645 -103.56713 6.63933 2.72007 -103.22484 1066.90263
1425.0000 -110.39917 -104.40105 5.99812 2.68756 -103.64824 1100.12585
1430.0000 -107.84524 -101.81340 6.03183 2.74114 -102.95038 1070.68853
1435.0000 -110.02688 -102.69935 7.32753 2.82505 -101.85761 1152.40508
1440.0000 -110.69945 -103.13767 7.56178 2.69118 -103.60113 1048.84555
1445.0000 -110.13324 -102.56235 7.57089 2.80724 -102.08954 1125.17285
1450.0000 -110.25775 -102.98811 7.26964 2.71735 -103.26023 1117.70315
1455.0000 -108.83031 -102.15228 6.67803 2.76127 -102.68821 1109.51378
1460.0000 -111.30446 -104.88495 6.41952 2.71527 -103.28731 1085.64756
1465.0000 -110.01768 -105.15409 4.86359 2.64634 -104.18500 1036.08360
1470.0000 -108.99937 -100.69200 8.30736 2.79668 -102.22714 1180.11468
1475.0000 -107.99936 -101.89369 6.10567 2.89176 -100.98874 1213.06754
1480.0000 -110.34842 -104.04042 6.30800 2.71263 -103.32175 1070.32846
1485.0000 -110.29430 -103.72324 6.57107 2.75830 -102.72695 1141.74161
1490.0000 -107.36578 -100.99868 6.36710 2.72178 -103.20258 1076.78338
1495.0000 -108.71792 -100.84844 7.86947 2.95487 -100.16691 1255.55561
1500.0000 -108.55574 -101.42782 7.12792 2.89312 -100.97114 1177.54112
FREEZING PROCESS: loop number 7 T-loop= 1071.0000000000000
main_MD> interactions number 7 at Temperature= 1071.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.00482 -1.24810 -1.44550
force_rgl> df(natom) 0.01526 -2.04138 0.94838
1505.0000 -109.71846 -103.78435 5.93410 2.70859 -103.37433 1073.51138
1510.0000 -110.35261 -103.03411 7.31850 2.65963 -104.01200 1043.99326
1515.0000 -107.64885 -100.27559 7.37326 2.82856 -101.81183 1138.38305
1520.0000 -109.92621 -104.17852 5.74769 2.73241 -103.06410 1110.06765
1525.0000 -108.73442 -102.48258 6.25185 2.62287 -104.49073 981.61127
1530.0000 -109.09872 -101.84482 7.25390 2.84177 -101.63980 1225.86779
1535.0000 -109.61055 -103.24284 6.36771 2.81319 -102.01208 1127.24757
1540.0000 -110.05115 -104.00650 6.04465 2.74572 -102.89083 1130.36052
1545.0000 -109.95024 -103.50404 6.44619 2.73856 -102.98397 1092.38818
1550.0000 -110.70026 -105.25670 5.44357 2.65761 -104.03832 1010.24739
1555.0000 -109.52105 -102.77259 6.74845 2.62570 -104.45387 1000.68144
1560.0000 -110.73243 -103.09235 7.64008 2.71526 -103.28749 1069.77563
1565.0000 -110.73060 -104.20827 6.52233 2.66203 -103.98069 1049.08315
1570.0000 -110.74563 -104.03995 6.70568 2.68994 -103.61718 1073.34569
1575.0000 -110.10571 -102.83758 7.26813 2.70887 -103.37076 1098.69306
1580.0000 -110.35075 -102.36989 7.98085 2.74641 -102.88183 1116.79187
1585.0000 -109.80891 -102.38205 7.42685 2.82715 -101.83030 1134.40187
1590.0000 -108.89742 -102.30118 6.59624 2.74868 -102.85221 1102.75934
1595.0000 -110.10885 -102.94886 7.15999 2.70333 -103.44281 1083.61404
1600.0000 -109.06048 -102.33470 6.72578 2.78488 -102.38082 1133.80644
1605.0000 -110.32890 -102.51817 7.81072 2.66869 -103.89400 1020.23260
1610.0000 -108.90818 -102.66701 6.24117 2.75412 -102.78132 1132.50410
1615.0000 -109.87353 -103.25082 6.62270 2.64028 -104.26397 1001.61281
1620.0000 -109.51025 -104.08950 5.42075 2.66107 -103.99327 1068.81430
1625.0000 -109.57398 -104.50291 5.07107 2.65221 -104.10863 1042.32315
1630.0000 -111.10170 -104.07273 7.02896 2.69776 -103.51536 1069.82315
1635.0000 -109.41362 -102.94786 6.46575 2.65125 -104.12113 1008.90687
1640.0000 -109.77239 -102.37023 7.40216 2.80490 -102.11999 1123.80343
1645.0000 -109.11328 -101.39592 7.71736 2.81470 -101.99246 1121.38724
1650.0000 -110.74876 -104.51137 6.23740 2.69306 -103.57660 1038.92794
1655.0000 -110.81230 -104.22278 6.58952 2.67130 -103.86002 1037.16535
1660.0000 -109.93925 -103.42569 6.51356 2.71629 -103.27407 1066.96508
1665.0000 -111.72715 -105.03141 6.69573 2.67834 -103.76835 1060.18891
1670.0000 -111.66422 -104.38816 7.27607 2.53962 -105.57496 970.98749
1675.0000 -109.06298 -103.02392 6.03906 2.65121 -104.12168 1031.92482
1680.0000 -111.64114 -105.23542 6.40572 2.68027 -103.74320 1023.08553
1685.0000 -108.42435 -102.66113 5.76321 2.66641 -103.92361 1063.12341
1690.0000 -109.75454 -102.13095 7.62360 2.75994 -102.70562 1083.98164
1695.0000 -107.58743 -101.46403 6.12340 2.81844 -101.94372 1170.66461
1700.0000 -108.87872 -102.89176 5.98696 2.79014 -102.31226 1097.47514
1705.0000 -109.16153 -102.15632 7.00522 2.77371 -102.52630 1093.33694
1710.0000 -109.68264 -102.50319 7.17946 2.76015 -102.70281 1087.17963
1715.0000 -107.28541 -100.86341 6.42200 2.90202 -100.85516 1220.17901
1720.0000 -108.47203 -101.93562 6.53641 2.84832 -101.55454 1198.57374
1725.0000 -109.64700 -104.56350 5.08350 2.69888 -103.50084 1047.08933
1730.0000 -110.19063 -104.33396 5.85667 2.61898 -104.54134 988.16980
1735.0000 -109.62268 -101.80553 7.81716 2.76408 -102.65164 1122.80077
1740.0000 -106.95097 -101.53436 5.41662 2.90899 -100.76435 1141.33612
1745.0000 -110.87639 -104.15341 6.72298 2.76608 -102.62554 1082.37426
1750.0000 -110.88047 -105.84237 5.03810 2.59236 -104.88801 985.83112
FREEZING PROCESS: loop number 8 T-loop= 1046.0000000000000
main_MD> interactions number 8 at Temperature= 1046.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.89024 5.01630 1.62009
force_rgl> df(natom) -0.20877 -2.51174 -2.20591
1755.0000 -110.34302 -104.00567 6.33735 2.52671 -105.74312 897.48072
1760.0000 -109.43832 -104.12390 5.31442 2.69669 -103.52935 1056.11706
1765.0000 -109.33885 -103.64662 5.69224 2.69320 -103.57479 1073.89895
1770.0000 -111.62219 -103.72313 7.89905 2.60066 -104.78003 966.88261
1775.0000 -108.72511 -103.73348 4.99164 2.67603 -103.79836 1017.35922
1780.0000 -109.77871 -103.36475 6.41396 2.69119 -103.60096 1063.81215
1785.0000 -112.21847 -105.22465 6.99383 2.63321 -104.35608 1027.23367
1790.0000 -109.77689 -103.94164 5.83525 2.65741 -104.04091 1032.91550
1795.0000 -111.30379 -104.97589 6.32790 2.68052 -103.73994 1062.13221
1800.0000 -108.41901 -102.32335 6.09566 2.70860 -103.37424 1007.94015
1805.0000 -110.37478 -102.73545 7.63933 2.70602 -103.40777 1047.10871
1810.0000 -107.15025 -99.40941 7.74085 2.89462 -100.95150 1186.45266
1815.0000 -109.99601 -103.03499 6.96102 2.86986 -101.27406 1181.40380
1820.0000 -109.74738 -103.04885 6.69854 2.81531 -101.98445 1180.99385
1825.0000 -109.59216 -103.36472 6.22744 2.75044 -102.82927 1073.32213
1830.0000 -109.17785 -104.12476 5.05309 2.69703 -103.52494 1062.92722
1835.0000 -111.31035 -105.65604 5.65431 2.65581 -104.06172 1034.61672
1840.0000 -109.77503 -103.86769 5.90733 2.61316 -104.61723 982.06948
1845.0000 -111.39940 -105.85054 5.54885 2.61960 -104.53329 996.57507
1850.0000 -110.35171 -103.31928 7.03243 2.64658 -104.18195 1009.95586
1855.0000 -110.15583 -105.90441 4.25142 2.56683 -105.22063 947.66574
1860.0000 -109.94556 -105.35167 4.59388 2.58020 -105.04650 993.46836
1865.0000 -111.87037 -105.11102 6.75934 2.51271 -105.92547 949.35353
1870.0000 -108.84316 -102.69026 6.15289 2.68749 -103.64916 1047.42641
1875.0000 -109.52695 -102.85348 6.67348 2.81549 -101.98213 1154.67279
1880.0000 -109.41629 -103.31446 6.10183 2.75668 -102.74804 1103.23463
1885.0000 -109.90222 -102.92921 6.97302 2.70839 -103.37700 1082.86064
1890.0000 -111.09524 -103.63589 7.45936 2.73643 -103.01170 1132.75533
1895.0000 -110.18921 -105.09008 5.09913 2.65943 -104.01453 1084.19378
1900.0000 -110.65109 -103.92589 6.72520 2.66146 -103.98818 1055.18353
1905.0000 -108.76997 -102.20091 6.56906 2.68503 -103.68119 1016.39588
1910.0000 -108.77475 -102.25677 6.51799 2.77030 -102.57066 1093.06371
1915.0000 -110.23407 -103.31560 6.91847 2.67662 -103.79071 1062.14637
1920.0000 -109.27440 -102.75588 6.51852 2.77231 -102.54446 1115.97916
1925.0000 -110.30211 -104.47870 5.82341 2.70136 -103.46850 1053.05147
1930.0000 -110.64546 -103.64904 6.99642 2.62525 -104.45975 986.51620
1935.0000 -111.16461 -106.02330 5.14131 2.63345 -104.35293 1016.72832
1940.0000 -110.80805 -104.73132 6.07673 2.56034 -105.30507 940.32684
1945.0000 -109.31656 -104.07645 5.24011 2.62904 -104.41042 995.59868
1950.0000 -111.23222 -103.19620 8.03602 2.70789 -103.38344 1043.14936
1955.0000 -111.31431 -104.54954 6.76477 2.60694 -104.69823 1012.92410
1960.0000 -110.05098 -104.62043 5.43056 2.64937 -104.14562 1050.40392
1965.0000 -110.04346 -103.38182 6.66164 2.65792 -104.03419 1021.32519
1970.0000 -110.93213 -104.40146 6.53067 2.61683 -104.56937 984.73687
1975.0000 -110.22726 -102.55409 7.67317 2.79688 -102.22454 1079.75997
1980.0000 -109.95493 -102.57695 7.37797 2.75474 -102.77331 1111.25508
1985.0000 -109.24248 -102.82934 6.41314 2.76210 -102.67743 1140.04672
1990.0000 -108.30168 -102.32271 5.97897 2.77446 -102.51649 1105.80139
1995.0000 -109.69363 -102.92249 6.77115 2.77298 -102.53581 1126.67715
2000.0000 -109.36435 -103.54280 5.82154 2.70566 -103.41255 1049.02278
FREEZING PROCESS: loop number 9 T-loop= 1021.0000000000000
main_MD> interactions number 9 at Temperature= 1021.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02115 2.14425 -1.78987
force_rgl> df(natom) 3.62642 -0.84081 -0.07934
2005.0000 -110.37474 -104.72226 5.65248 2.69242 -103.58497 1090.85848
2010.0000 -110.01275 -104.56735 5.44539 2.59013 -104.91709 922.38377
2015.0000 -108.76227 -102.66178 6.10049 2.60295 -104.75013 938.41357
2020.0000 -110.88501 -104.45491 6.43010 2.62635 -104.44538 999.51636
2025.0000 -111.73180 -106.22889 5.50290 2.48578 -106.27620 906.16962
2030.0000 -110.57900 -105.33279 5.24621 2.52025 -105.82722 917.80399
2035.0000 -109.12818 -102.57610 6.55209 2.72759 -103.12695 1035.02165
2040.0000 -111.21202 -105.26806 5.94396 2.72420 -103.17108 1042.14454
2045.0000 -110.68352 -105.09759 5.58593 2.54263 -105.53571 901.49392
2050.0000 -111.11362 -104.98277 6.13085 2.58386 -104.99876 986.40500
2055.0000 -111.04247 -104.71103 6.33145 2.69144 -103.59763 1074.79702
2060.0000 -111.82879 -105.91577 5.91301 2.54888 -105.45428 948.88749
2065.0000 -110.54446 -104.02504 6.51942 2.63287 -104.36049 991.76775
2070.0000 -111.32345 -104.58701 6.73644 2.61069 -104.64941 1018.04373
2075.0000 -109.68832 -103.81428 5.87404 2.68017 -103.74449 1020.50513
2080.0000 -111.06041 -103.78010 7.28031 2.66741 -103.91060 1053.80166
2085.0000 -111.95144 -104.99031 6.96113 2.65642 -104.05380 1042.23854
2090.0000 -109.06239 -103.98094 5.08145 2.66379 -103.95781 1056.22885
2095.0000 -110.92033 -104.83848 6.08185 2.65795 -104.03389 1054.99714
2100.0000 -110.80372 -104.91835 5.88536 2.60903 -104.67101 969.11988
2105.0000 -111.07238 -104.91476 6.15762 2.53153 -105.68026 930.70980
2110.0000 -108.96709 -102.82959 6.13750 2.65673 -104.04978 999.50905
2115.0000 -110.53504 -104.62925 5.90578 2.75725 -102.74063 1095.39269
2120.0000 -110.37285 -102.98492 7.38793 2.69739 -103.52019 1060.07956
2125.0000 -110.07001 -103.31325 6.75676 2.71878 -103.24166 1062.43154
2130.0000 -109.29638 -102.81044 6.48593 2.75079 -102.82479 1077.81265
2135.0000 -110.69914 -105.14203 5.55711 2.71094 -103.34377 1103.09443
2140.0000 -110.58693 -104.13077 6.45617 2.55452 -105.38094 945.82217
2145.0000 -110.59105 -103.24663 7.34442 2.67574 -103.80213 1050.42972
2150.0000 -109.29145 -102.07280 7.21865 2.71331 -103.31281 1041.77800
2155.0000 -109.00296 -102.50763 6.49533 2.75898 -102.71813 1103.84667
2160.0000 -110.01751 -103.21938 6.79813 2.78818 -102.33783 1163.76834
2165.0000 -110.11616 -102.70137 7.41478 2.75194 -102.80971 1101.92137
2170.0000 -110.71257 -104.94403 5.76854 2.64666 -104.18091 1007.27364
2175.0000 -110.53714 -104.14715 6.38999 2.63173 -104.37527 1036.64660
2180.0000 -108.63004 -101.84607 6.78397 2.73167 -103.07370 1059.33717
2185.0000 -110.39009 -104.15892 6.23117 2.71342 -103.31144 1095.71054
2190.0000 -111.96615 -106.55897 5.40717 2.56957 -105.18494 949.07965
2195.0000 -111.44857 -105.18427 6.26430 2.50917 -105.97147 922.75714
2200.0000 -110.86452 -104.95193 5.91259 2.58024 -105.04598 950.15051
2205.0000 -110.59981 -103.78911 6.81070 2.64489 -104.20399 1061.06949
2210.0000 -110.39914 -105.18800 5.21114 2.65386 -104.08712 1009.66260
2215.0000 -110.19921 -105.19062 5.00859 2.53849 -105.58962 943.95499
2220.0000 -109.98589 -103.72189 6.26400 2.62844 -104.41818 994.54883
2225.0000 -108.90278 -103.75512 5.14766 2.68897 -103.62989 1035.86923
2230.0000 -110.27029 -104.12353 6.14676 2.69658 -103.53069 1010.27221
2235.0000 -108.70759 -101.81177 6.89582 2.68356 -103.70033 1066.97578
2240.0000 -109.80143 -102.48303 7.31839 2.77772 -102.47401 1112.66155
2245.0000 -109.74882 -103.50050 6.24832 2.76277 -102.66867 1079.13128
2250.0000 -111.64882 -105.27252 6.37629 2.61682 -104.56946 981.44937
FREEZING PROCESS: loop number 10 T-loop= 996.00000000000000
main_MD> interactions number 10 at Temperature= 996.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24121 -2.36851 -0.66408
force_rgl> df(natom) -2.20125 2.63706 0.33811
2255.0000 -108.39366 -102.98507 5.40859 2.61513 -104.59147 995.67656
2260.0000 -111.27570 -103.63677 7.63893 2.70784 -103.38414 1027.75135
2265.0000 -111.78364 -104.42226 7.36138 2.70287 -103.44886 1076.41419
2270.0000 -110.38565 -104.33341 6.05224 2.65618 -104.05685 1033.99362
2275.0000 -111.01087 -105.69661 5.31426 2.51944 -105.83769 886.19346
2280.0000 -110.56241 -104.80533 5.75708 2.60915 -104.66945 957.25503
2285.0000 -110.13404 -104.72066 5.41338 2.63698 -104.30698 999.40252
2290.0000 -110.64199 -104.71328 5.92871 2.67902 -103.75950 1064.59189
2295.0000 -110.84367 -105.18050 5.66317 2.55078 -105.42958 960.40898
2300.0000 -110.01809 -104.66384 5.35425 2.60994 -104.65914 970.55739
2305.0000 -111.18717 -103.97930 7.20786 2.61210 -104.63100 959.08747
2310.0000 -111.44938 -104.39994 7.04944 2.63382 -104.34814 1001.80689
2315.0000 -110.11477 -104.69365 5.42112 2.60966 -104.66275 977.54642
2320.0000 -110.85916 -105.13589 5.72327 2.60838 -104.67940 988.42041
2325.0000 -110.16526 -104.30625 5.85901 2.65383 -104.08746 1017.53099
2330.0000 -109.92815 -102.98837 6.93979 2.68185 -103.72254 1072.34031
2335.0000 -111.14162 -105.01807 6.12355 2.66237 -103.97625 1015.81946
2340.0000 -109.87732 -102.68381 7.19351 2.67666 -103.79019 1017.57936
2345.0000 -109.35203 -103.80289 5.54914 2.74336 -102.92153 1076.85901
2350.0000 -109.04577 -103.14975 5.89602 2.72929 -103.10480 1088.92490
2355.0000 -110.19815 -103.54623 6.65192 2.68723 -103.65256 1005.71972
2360.0000 -110.27634 -104.04349 6.23284 2.69622 -103.53539 1072.60135
2365.0000 -107.57385 -101.63071 5.94314 2.74397 -102.91354 1090.68425
2370.0000 -107.53664 -101.24592 6.29072 2.87164 -101.25086 1149.17897
2375.0000 -109.37946 -102.31055 7.06890 2.83336 -101.74942 1168.98576
2380.0000 -109.50091 -103.70872 5.79218 2.72630 -103.14371 1071.15989
2385.0000 -110.71114 -103.90377 6.80737 2.68773 -103.64598 1049.21687
2390.0000 -108.89066 -104.47833 4.41234 2.63267 -104.36308 1018.86635
2395.0000 -111.35390 -104.96442 6.38948 2.65473 -104.07583 1034.61406
2400.0000 -110.64457 -104.21435 6.43022 2.55594 -105.36244 955.46876
2405.0000 -108.85062 -101.89485 6.95577 2.73224 -103.06631 1040.82885
2410.0000 -111.23521 -105.31481 5.92040 2.72919 -103.10606 1066.16035
2415.0000 -110.11600 -103.52238 6.59361 2.66133 -103.98988 1027.74190
2420.0000 -110.46830 -102.54446 7.92384 2.75056 -102.82770 1098.89451
2425.0000 -110.54265 -104.16888 6.37377 2.67586 -103.80066 1012.52001
2430.0000 -109.94168 -103.22549 6.71619 2.72312 -103.18506 1080.71010
2435.0000 -110.12194 -104.75716 5.36477 2.60944 -104.66561 946.80045
2440.0000 -110.99759 -104.92829 6.06930 2.60757 -104.68999 949.31787
2445.0000 -111.24234 -105.23274 6.00960 2.56350 -105.26388 960.25524
2450.0000 -112.33534 -106.50986 5.82548 2.44450 -106.81370 831.94939
2455.0000 -112.12601 -106.58133 5.54469 2.47457 -106.42209 912.84289
2460.0000 -111.11682 -105.80737 5.30945 2.48003 -106.35107 927.74947
2465.0000 -111.21200 -105.62781 5.58420 2.56451 -105.25072 944.09293
2470.0000 -111.80109 -106.43875 5.36235 2.45872 -106.62855 884.56978
2475.0000 -111.25423 -105.09953 6.15470 2.51053 -105.95386 927.69997
2480.0000 -110.77984 -105.39116 5.38868 2.61436 -104.60153 971.57910
2485.0000 -111.02492 -105.94681 5.07811 2.51453 -105.90175 894.64480
2490.0000 -108.99901 -103.56409 5.43492 2.62704 -104.43641 988.45430
2495.0000 -109.34867 -103.37432 5.97435 2.64746 -104.17047 1027.22200
2500.0000 -110.49924 -104.92793 5.57131 2.63061 -104.38988 1030.71632
FREEZING PROCESS: loop number 11 T-loop= 971.00000000000000
main_MD> interactions number 11 at Temperature= 971.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75405 1.62171 -0.24922
force_rgl> df(natom) -0.98003 1.88411 0.42786
2505.0000 -111.63271 -105.58092 6.05178 2.58704 -104.95730 961.92825
2510.0000 -111.65732 -105.67176 5.98555 2.51039 -105.95557 912.43645
2515.0000 -110.77660 -105.13950 5.63710 2.58046 -105.04303 973.22264
2520.0000 -111.52724 -104.62856 6.89868 2.55396 -105.38816 937.06429
2525.0000 -111.51456 -105.50442 6.01014 2.60615 -104.70853 1006.87782
2530.0000 -111.41892 -105.55818 5.86074 2.60767 -104.68865 1009.97230
2535.0000 -110.54273 -104.48680 6.05593 2.60241 -104.75723 1019.83538
2540.0000 -110.69408 -105.20092 5.49316 2.53722 -105.60616 950.27113
2545.0000 -110.68185 -104.44805 6.23380 2.57394 -105.12802 939.84271
2550.0000 -110.73676 -104.81646 5.92030 2.60125 -104.77227 992.14576
2555.0000 -110.58411 -106.00910 4.57501 2.54087 -105.55864 894.16730
2560.0000 -111.00333 -105.02823 5.97510 2.53380 -105.65079 919.79240
2565.0000 -111.33949 -106.52849 4.81100 2.56120 -105.29390 914.17043
2570.0000 -111.07482 -105.60401 5.47081 2.48061 -106.34352 885.55634
2575.0000 -111.96193 -106.08622 5.87572 2.52551 -105.75866 916.77463
2580.0000 -111.92433 -105.85557 6.06876 2.48339 -106.30721 874.12967
2585.0000 -110.52671 -104.44234 6.08437 2.54899 -105.45285 935.58492
2590.0000 -110.94070 -105.52648 5.41423 2.57479 -105.11688 992.25761
2595.0000 -110.81234 -104.71925 6.09310 2.51382 -105.91099 902.12979
2600.0000 -109.51628 -103.20440 6.31188 2.63083 -104.38705 1000.71495
2605.0000 -110.05593 -103.08667 6.96926 2.71133 -103.33869 1074.74473
2610.0000 -110.38710 -104.66958 5.71752 2.69025 -103.61321 1044.13449
2615.0000 -111.52086 -105.39196 6.12889 2.62808 -104.42288 996.17990
2620.0000 -111.07153 -106.00308 5.06844 2.50933 -105.96946 880.24650
2625.0000 -109.43487 -103.74079 5.69408 2.59852 -104.80788 993.31941
2630.0000 -108.81957 -101.83117 6.98840 2.73306 -103.05564 1052.29774
2635.0000 -108.67532 -102.23775 6.43757 2.71125 -103.33964 1061.39014
2640.0000 -107.76163 -101.56455 6.19707 2.85934 -101.41105 1132.50680
2645.0000 -108.10542 -102.68493 5.42049 2.79036 -102.30938 1098.77919
2650.0000 -110.15849 -103.05216 7.10633 2.75135 -102.81746 1104.94732
2655.0000 -109.20610 -103.32234 5.88376 2.73435 -103.03883 1084.74841
2660.0000 -111.43175 -105.19667 6.23508 2.64480 -104.20517 1003.13920
2665.0000 -111.22841 -105.60820 5.62021 2.63901 -104.28057 998.85644
2670.0000 -112.67148 -105.56077 7.11071 2.55134 -105.42227 947.42031
2675.0000 -111.55939 -105.43938 6.12001 2.55117 -105.42453 930.84420
2680.0000 -110.90345 -104.91477 5.98868 2.57084 -105.16833 972.48539
2685.0000 -110.61969 -105.19494 5.42476 2.56432 -105.25320 938.54851
2690.0000 -111.03676 -105.14830 5.88846 2.56878 -105.19513 953.33359
2695.0000 -110.49402 -104.21367 6.28036 2.59882 -104.80395 991.77275
2700.0000 -109.38665 -102.46450 6.92215 2.71576 -103.28097 1072.38982
2705.0000 -110.54394 -104.67770 5.86624 2.65926 -104.01686 1061.12837
2710.0000 -108.32575 -103.30783 5.01792 2.69457 -103.55691 1041.21240
2715.0000 -109.90837 -103.75188 6.15649 2.69714 -103.52346 1016.41179
2720.0000 -112.09929 -105.00299 7.09629 2.64154 -104.24757 1052.70696
2725.0000 -111.17866 -106.04789 5.13078 2.56654 -105.22431 969.25969
2730.0000 -112.13449 -106.42522 5.70927 2.48989 -106.22265 884.34504
2735.0000 -110.94288 -105.56580 5.37708 2.52138 -105.81249 928.99670
2740.0000 -110.88673 -105.58357 5.30315 2.55817 -105.33341 959.81132
2745.0000 -111.73961 -106.01644 5.72317 2.50429 -106.03505 902.71191
2750.0000 -112.31407 -107.05700 5.25706 2.44278 -106.83619 881.95118
FREEZING PROCESS: loop number 12 T-loop= 946.00000000000000
main_MD> interactions number 12 at Temperature= 946.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84096 0.12176 -1.31402
force_rgl> df(natom) -1.89683 1.25752 0.14578
2755.0000 -111.61111 -105.45963 6.15148 2.50847 -105.98065 913.26998
2760.0000 -109.89316 -103.52408 6.36907 2.62587 -104.45160 1002.83462
2765.0000 -110.40403 -105.10702 5.29701 2.65858 -104.02566 1004.81325
2770.0000 -112.15264 -104.60297 7.54967 2.53647 -105.61598 912.61529
2775.0000 -109.37169 -103.90630 5.46539 2.61336 -104.61460 1015.17787
2780.0000 -110.72640 -105.44877 5.27763 2.60412 -104.73488 994.84520
2785.0000 -111.72266 -105.78700 5.93565 2.51112 -105.94615 901.19193
2790.0000 -110.68925 -105.25232 5.43693 2.52692 -105.74037 932.22402
2795.0000 -112.65618 -106.55652 6.09966 2.47872 -106.36811 879.07241
2800.0000 -110.21918 -103.95785 6.26133 2.53817 -105.59388 923.29523
2805.0000 -109.74241 -104.19947 5.54294 2.65685 -104.04824 1008.19049
2810.0000 -111.76560 -105.25297 6.51263 2.59187 -104.89447 973.05791
2815.0000 -111.96760 -107.80381 4.16379 2.46759 -106.51300 915.30311
2820.0000 -111.46777 -106.28215 5.18563 2.38296 -107.61523 792.37790
2825.0000 -111.83712 -105.35812 6.47900 2.52490 -105.76667 934.78934
2830.0000 -111.14442 -104.24428 6.90015 2.57862 -105.06697 960.44127
2835.0000 -110.76352 -105.39078 5.37273 2.57355 -105.13303 934.25595
2840.0000 -110.41038 -103.29566 7.11472 2.59804 -104.81410 983.80809
2845.0000 -111.07780 -104.29324 6.78456 2.66948 -103.88364 1042.37388
2850.0000 -111.44745 -106.15984 5.28761 2.56219 -105.28099 966.78474
2855.0000 -111.68904 -106.94156 4.74748 2.47349 -106.43620 867.62492
2860.0000 -110.81241 -105.81421 4.99819 2.44511 -106.80575 853.28649
2865.0000 -111.65685 -105.60679 6.05006 2.51670 -105.87343 927.88936
2870.0000 -111.41836 -105.46305 5.95531 2.61166 -104.63673 1011.26399
2875.0000 -111.75205 -106.10110 5.65095 2.47309 -106.44134 896.78748
2880.0000 -111.51179 -106.03221 5.47959 2.45388 -106.69161 875.39480
2885.0000 -111.87443 -105.76246 6.11197 2.52875 -105.71645 914.74461
2890.0000 -111.55302 -105.61710 5.93592 2.55235 -105.40909 970.34850
2895.0000 -110.33175 -103.86752 6.46423 2.55443 -105.38204 973.12497
2900.0000 -112.52452 -106.00603 6.51849 2.59785 -104.81656 993.73199
2905.0000 -112.15568 -106.38636 5.76932 2.48308 -106.31131 915.22136
2910.0000 -110.30954 -103.75512 6.55442 2.54761 -105.47094 907.66121
2915.0000 -109.76828 -104.13508 5.63319 2.64642 -104.18402 1015.53423
2920.0000 -110.18353 -104.86317 5.32036 2.63642 -104.31431 966.95362
2925.0000 -111.93833 -106.73070 5.20762 2.54708 -105.47772 947.51782
2930.0000 -112.26699 -106.54094 5.72605 2.46927 -106.49119 884.07390
2935.0000 -110.07064 -104.81025 5.26038 2.51881 -105.84597 895.54978
2940.0000 -110.63126 -104.24569 6.38557 2.61988 -104.52972 1005.64969
2945.0000 -109.54860 -103.18495 6.36365 2.69744 -103.51957 1056.10016
2950.0000 -111.46532 -106.06847 5.39685 2.60263 -104.75435 969.52631
2955.0000 -111.38334 -105.91396 5.46939 2.54271 -105.53470 912.29343
2960.0000 -111.23221 -104.82709 6.40512 2.54075 -105.56028 944.46384
2965.0000 -111.52744 -106.46213 5.06532 2.49388 -106.17069 903.46938
2970.0000 -110.99372 -104.60831 6.38541 2.52375 -105.78166 915.53104
2975.0000 -111.26482 -105.92286 5.34196 2.62537 -104.45817 997.22927
2980.0000 -111.17369 -104.60197 6.57173 2.59595 -104.84125 995.93091
2985.0000 -112.02364 -106.70765 5.31599 2.52162 -105.80939 915.55588
2990.0000 -110.79203 -103.60976 7.18227 2.56920 -105.18972 966.59423
2995.0000 -110.32036 -104.19559 6.12477 2.66088 -103.99565 1019.11090
3000.0000 -111.61142 -105.43328 6.17813 2.58213 -105.02130 947.29455
FREEZING PROCESS: loop number 13 T-loop= 921.00000000000000
main_MD> interactions number 13 at Temperature= 921.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.90255 -0.29770 -4.92389
force_rgl> df(natom) -2.22483 -0.61606 1.71044
3005.0000 -113.36192 -108.33956 5.02236 2.39232 -107.49326 823.15899
3010.0000 -113.29929 -108.15261 5.14668 2.32436 -108.37846 772.04303
3015.0000 -112.47598 -107.71684 4.75914 2.33772 -108.20440 777.87998
3020.0000 -111.50870 -106.82176 4.68694 2.42979 -107.00538 832.67803
3025.0000 -112.48505 -107.01828 5.46677 2.46221 -106.58316 838.56599
3030.0000 -112.72629 -107.50709 5.21921 2.41915 -107.14392 863.96290
3035.0000 -111.02674 -106.79575 4.23099 2.46478 -106.54958 873.95752
3040.0000 -111.19626 -105.83459 5.36166 2.52669 -105.74337 908.16652
3045.0000 -111.30308 -106.36091 4.94217 2.54497 -105.50532 936.97940
3050.0000 -112.45622 -106.38280 6.07343 2.45006 -106.74137 870.86961
3055.0000 -111.02169 -106.12405 4.89764 2.46991 -106.48278 908.18835
3060.0000 -112.65994 -106.70006 5.95987 2.44622 -106.79130 877.74434
3065.0000 -111.18428 -105.61705 5.56723 2.52425 -105.77508 927.09684
3070.0000 -111.56563 -107.16155 4.40408 2.48016 -106.34929 906.90341
3075.0000 -111.10742 -105.38734 5.72008 2.48462 -106.29130 882.94034
3080.0000 -112.25593 -106.78634 5.46959 2.49043 -106.21554 932.87210
3085.0000 -113.51081 -108.13239 5.37842 2.37908 -107.66581 835.06355
3090.0000 -111.90730 -107.58761 4.31969 2.36586 -107.83798 835.37195
3095.0000 -112.44956 -107.56958 4.87998 2.34294 -108.13641 758.88085
3100.0000 -111.08666 -105.98289 5.10378 2.46091 -106.59999 868.25728
3105.0000 -110.90377 -104.99912 5.90465 2.54246 -105.53799 929.09256
3110.0000 -111.16277 -105.50153 5.66125 2.58426 -104.99361 999.65979
3115.0000 -110.34919 -105.59499 4.75420 2.59710 -104.82640 967.98600
3120.0000 -110.16229 -104.50205 5.66024 2.59015 -104.91682 962.84680
3125.0000 -109.94942 -105.45501 4.49441 2.58031 -105.04506 938.05706
3130.0000 -111.07518 -105.86548 5.20970 2.51144 -105.94194 899.57397
3135.0000 -111.40569 -107.14198 4.26371 2.42518 -107.06530 842.91153
3140.0000 -112.09481 -105.80650 6.28831 2.41880 -107.14848 832.48285
3145.0000 -110.20236 -104.02777 6.17459 2.51646 -105.87655 904.91293
3150.0000 -109.02926 -104.22873 4.80053 2.56480 -105.24702 947.69780
3155.0000 -111.00305 -106.55024 4.45281 2.54671 -105.48254 927.15805
3160.0000 -112.91184 -107.15706 5.75478 2.40586 -107.31697 841.92198
3165.0000 -111.77728 -106.78285 4.99443 2.47153 -106.46178 926.75821
3170.0000 -111.04012 -106.36004 4.68008 2.47116 -106.46653 883.40166
3175.0000 -110.98163 -106.19003 4.79160 2.51170 -105.93852 892.25649
3180.0000 -112.18521 -107.35423 4.83098 2.44942 -106.74963 850.88963
3185.0000 -112.97298 -108.24225 4.73073 2.37491 -107.72000 822.94880
3190.0000 -109.66345 -104.83782 4.82563 2.46615 -106.53172 899.08705
3195.0000 -109.95766 -105.00072 4.95694 2.59582 -104.84298 960.13352
3200.0000 -110.28864 -104.15326 6.13538 2.66744 -103.91024 1037.85134
3205.0000 -110.72627 -104.57039 6.15588 2.63560 -104.32490 1006.90296
3210.0000 -111.16638 -105.82627 5.34011 2.51158 -105.94016 908.87278
3215.0000 -111.30416 -105.30752 5.99664 2.55600 -105.36167 957.70312
3220.0000 -112.07840 -106.66324 5.41516 2.51424 -105.90545 920.18938
3225.0000 -110.80610 -104.45463 6.35147 2.55433 -105.38330 966.50385
3230.0000 -111.39708 -105.34918 6.04790 2.57917 -105.05982 962.84618
3235.0000 -112.52259 -107.72643 4.79616 2.50657 -106.00543 901.17875
3240.0000 -111.83588 -107.26037 4.57551 2.40616 -107.31312 846.76169
3245.0000 -113.15026 -107.34823 5.80203 2.37762 -107.68472 842.26922
3250.0000 -113.56575 -107.66557 5.90018 2.37186 -107.75975 828.16074
FREEZING PROCESS: loop number 14 T-loop= 896.00000000000000
main_MD> interactions number 14 at Temperature= 896.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.82506 1.31210 1.57849
force_rgl> df(natom) -2.15731 1.06939 0.68359
3255.0000 -113.41842 -107.47954 5.93888 2.41680 -107.17449 857.08282
3260.0000 -111.98208 -106.90972 5.07236 2.42492 -107.06872 840.16294
3265.0000 -112.02910 -106.58496 5.44414 2.50133 -106.07367 910.91431
3270.0000 -110.27520 -105.14246 5.13275 2.56728 -105.21469 944.31755
3275.0000 -112.47288 -107.26745 5.20544 2.48324 -106.30917 868.24368
3280.0000 -112.35396 -107.49412 4.85985 2.39878 -107.40919 812.53966
3285.0000 -111.79056 -106.78218 5.00838 2.48602 -106.27297 888.61101
3290.0000 -112.10830 -105.68342 6.42487 2.49551 -106.14935 893.26745
3295.0000 -112.34373 -107.55046 4.79327 2.51729 -105.86578 923.72995
3300.0000 -112.64801 -106.75556 5.89244 2.39935 -107.40183 820.64278
3305.0000 -111.45719 -106.62958 4.82761 2.48548 -106.28000 884.25891
3310.0000 -112.00138 -106.89181 5.10957 2.48258 -106.31777 916.72816
3315.0000 -112.32450 -105.68358 6.64092 2.49586 -106.14490 893.77930
3320.0000 -112.87570 -106.76502 6.11068 2.53669 -105.61314 961.68724
3325.0000 -111.56953 -106.34362 5.22591 2.44543 -106.80160 883.73941
3330.0000 -110.68545 -105.57558 5.10987 2.55696 -105.34908 924.56658
3335.0000 -112.84671 -106.66567 6.18103 2.51680 -105.87217 910.07998
3340.0000 -112.98457 -108.24241 4.74216 2.36884 -107.79916 785.17014
3345.0000 -111.24805 -106.04385 5.20420 2.40785 -107.29108 846.27540
3350.0000 -112.33413 -107.36144 4.97269 2.41986 -107.13464 837.69420
3355.0000 -113.16128 -107.81085 5.35043 2.38801 -107.54942 828.85027
3360.0000 -112.80994 -107.98808 4.82187 2.35795 -107.94094 813.42806
3365.0000 -111.13829 -106.58640 4.55189 2.38856 -107.54234 810.79678
3370.0000 -111.70859 -107.24021 4.46838 2.41406 -107.21021 834.91217
3375.0000 -111.60780 -106.15639 5.45141 2.50253 -106.05794 929.55257
3380.0000 -111.06701 -105.58332 5.48369 2.52523 -105.76235 940.33187
3385.0000 -112.20049 -106.04643 6.15406 2.53363 -105.65296 920.36551
3390.0000 -110.93980 -105.04612 5.89367 2.49151 -106.20156 908.67868
3395.0000 -112.19879 -106.34259 5.85620 2.52878 -105.71612 895.85323
3400.0000 -110.99070 -106.32207 4.66863 2.48997 -106.22152 919.38526
3405.0000 -112.41996 -107.53354 4.88642 2.43674 -106.91484 819.09197
3410.0000 -111.36369 -105.51599 5.84770 2.44275 -106.83650 842.58041
3415.0000 -111.43464 -105.84216 5.59248 2.52177 -105.80737 952.47682
3420.0000 -111.37314 -106.38667 4.98647 2.50176 -106.06804 916.87109
3425.0000 -112.97326 -107.01025 5.96301 2.50040 -106.08572 883.09106
3430.0000 -112.16211 -107.24845 4.91366 2.40110 -107.37892 792.05276
3435.0000 -111.76873 -106.25721 5.51153 2.45304 -106.70249 881.26034
3440.0000 -111.25770 -105.17721 6.08049 2.56924 -105.18916 951.32349
3445.0000 -112.22805 -107.43066 4.79739 2.54374 -105.52122 907.71504
3450.0000 -111.68205 -106.26958 5.41247 2.38648 -107.56938 789.91322
3455.0000 -110.78508 -104.82364 5.96144 2.55104 -105.42615 903.15978
3460.0000 -111.83043 -105.98090 5.84953 2.53781 -105.59850 945.66488
3465.0000 -110.49987 -103.10517 7.39469 2.58245 -105.01711 990.79833
3470.0000 -109.99703 -103.39649 6.60054 2.74054 -102.95822 1117.59218
3475.0000 -110.96513 -104.90928 6.05585 2.64387 -104.21719 990.59590
3480.0000 -111.58435 -107.42941 4.15494 2.51102 -105.94742 905.42590
3485.0000 -111.42253 -107.71178 3.71075 2.36625 -107.83289 781.48625
3490.0000 -111.84027 -106.80136 5.03891 2.47070 -106.47255 871.63682
3495.0000 -112.79473 -106.72553 6.06920 2.45638 -106.65904 902.03879
3500.0000 -112.31457 -106.58233 5.73224 2.47670 -106.39444 919.49071
FREEZING PROCESS: loop number 15 T-loop= 871.00000000000000
main_MD> interactions number 15 at Temperature= 871.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37417 -1.97527 2.43494
force_rgl> df(natom) 3.56777 1.38279 0.40106
3505.0000 -112.33327 -106.39561 5.93766 2.40285 -107.35622 836.85708
3510.0000 -111.10334 -105.98983 5.11351 2.49950 -106.09750 889.56379
3515.0000 -111.62032 -106.39557 5.22475 2.43955 -106.87828 871.00861
3520.0000 -113.24027 -107.33492 5.90535 2.43529 -106.93375 838.39599
3525.0000 -113.33834 -106.95672 6.38162 2.42580 -107.05733 880.84697
3530.0000 -113.42513 -108.53339 4.89174 2.37612 -107.70432 836.77163
3535.0000 -112.16204 -106.82464 5.33740 2.39344 -107.47874 846.12467
3540.0000 -111.65811 -106.09748 5.56063 2.45125 -106.72585 873.77396
3545.0000 -111.18522 -106.12604 5.05918 2.48985 -106.22315 908.62253
3550.0000 -112.07651 -106.54502 5.53149 2.51368 -105.91276 919.80088
3555.0000 -111.12250 -105.74298 5.37952 2.51720 -105.86689 900.62506
3560.0000 -111.00042 -104.96106 6.03936 2.50621 -106.01004 889.00278
3565.0000 -112.12863 -106.38996 5.73867 2.50516 -106.02370 922.76088
3570.0000 -113.71171 -108.16645 5.54527 2.44141 -106.85399 882.52659
3575.0000 -112.48668 -108.47803 4.00865 2.33132 -108.28778 777.72569
3580.0000 -111.84379 -106.44078 5.40301 2.40422 -107.33834 859.15322
3585.0000 -111.04435 -105.94784 5.09651 2.44576 -106.79737 884.87307
3590.0000 -111.15465 -105.81500 5.33965 2.51456 -105.90132 915.47251
3595.0000 -112.54756 -108.15824 4.38932 2.43566 -106.92892 857.48014
3600.0000 -112.29723 -107.81246 4.48477 2.36746 -107.81702 804.45939
3605.0000 -113.04073 -108.22546 4.81527 2.34512 -108.10802 769.71784
3610.0000 -111.36007 -106.62273 4.73734 2.43844 -106.89265 855.31330
3615.0000 -112.29891 -107.16516 5.13375 2.44964 -106.74680 875.99374
3620.0000 -111.74694 -106.41753 5.32941 2.45493 -106.67797 871.45118
3625.0000 -112.08420 -106.24836 5.83585 2.48737 -106.25540 880.08613
3630.0000 -112.45543 -107.26463 5.19080 2.48752 -106.25351 874.33095
3635.0000 -112.68810 -107.69550 4.99260 2.39418 -107.46906 823.64112
3640.0000 -112.90477 -107.41798 5.48679 2.36588 -107.83771 822.91455
3645.0000 -111.76526 -106.06174 5.70352 2.40000 -107.39332 841.06195
3650.0000 -109.41080 -104.46946 4.94133 2.57958 -105.05456 945.81996
3655.0000 -111.22948 -105.72098 5.50850 2.54576 -105.49497 907.72272
3660.0000 -112.56086 -107.66267 4.89819 2.42659 -107.04695 863.69442
3665.0000 -111.41987 -107.24011 4.17976 2.40695 -107.30278 806.60233
3670.0000 -112.21327 -106.64374 5.56953 2.44903 -106.75481 838.69467
3675.0000 -111.10690 -105.65519 5.45172 2.47277 -106.44551 845.54184
3680.0000 -111.58560 -106.66254 4.92306 2.47348 -106.43636 823.54209
3685.0000 -111.74868 -105.70450 6.04418 2.47818 -106.37505 850.13155
3690.0000 -111.66731 -106.08029 5.58703 2.50844 -105.98104 908.74137
3695.0000 -110.66174 -105.43581 5.22593 2.55611 -105.36012 959.81613
3700.0000 -110.09666 -105.31758 4.77908 2.53969 -105.57400 921.78984
3705.0000 -111.02972 -104.92190 6.10782 2.59978 -104.79142 978.20303
3710.0000 -110.65451 -104.30413 6.35038 2.64008 -104.26664 978.70301
3715.0000 -110.49298 -104.97258 5.52040 2.61328 -104.61567 960.72780
3720.0000 -113.43953 -107.32363 6.11590 2.45953 -106.61799 863.34163
3725.0000 -112.08710 -106.84774 5.23935 2.42315 -107.09180 870.74771
3730.0000 -112.12665 -107.33297 4.79367 2.48832 -106.24309 867.06432
3735.0000 -111.84586 -107.01575 4.83011 2.47358 -106.43508 903.90058
3740.0000 -112.88466 -107.55223 5.33242 2.39447 -107.46536 802.01666
3745.0000 -111.84387 -105.63598 6.20789 2.43754 -106.90444 867.04346
3750.0000 -111.27363 -105.01196 6.26168 2.53654 -105.61505 955.01572
FREEZING PROCESS: loop number 16 T-loop= 846.00000000000000
main_MD> interactions number 16 at Temperature= 846.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.44058 1.22025 1.08798
force_rgl> df(natom) 3.73250 -1.10038 -1.75416
3755.0000 -111.71720 -106.41129 5.30591 2.53149 -105.68085 951.98759
3760.0000 -112.40142 -107.01008 5.39134 2.43173 -106.98002 853.28528
3765.0000 -111.92583 -106.87106 5.05477 2.47912 -106.36285 865.56954
3770.0000 -111.39951 -106.14099 5.25852 2.43799 -106.89853 855.52182
3775.0000 -110.80220 -106.34313 4.45907 2.49064 -106.21279 905.51769
3780.0000 -112.53498 -107.48716 5.04782 2.47060 -106.47377 835.86644
3785.0000 -113.11038 -107.14578 5.96460 2.40359 -107.34650 825.81905
3790.0000 -113.88471 -106.67910 7.20561 2.35581 -107.96885 791.54814
3795.0000 -111.15707 -105.62101 5.53606 2.47536 -106.41183 918.66062
3800.0000 -111.56604 -106.82545 4.74059 2.50097 -106.07831 859.52427
3805.0000 -112.50999 -108.09089 4.41910 2.37273 -107.74844 793.32774
3810.0000 -111.37425 -106.15081 5.22343 2.43894 -106.88616 860.83312
3815.0000 -111.13870 -106.69201 4.44668 2.44993 -106.74309 881.68816
3820.0000 -111.05303 -105.16889 5.88413 2.52211 -105.80304 909.96272
3825.0000 -110.72488 -105.48226 5.24262 2.51485 -105.89757 905.28995
3830.0000 -112.87848 -106.71676 6.16172 2.46420 -106.55721 850.80099
3835.0000 -111.38593 -106.30997 5.07597 2.47488 -106.41811 871.75414
3840.0000 -111.04536 -106.39368 4.65168 2.42537 -107.06294 846.16216
3845.0000 -112.00951 -107.99858 4.01093 2.40019 -107.39082 838.91488
3850.0000 -111.34134 -105.78784 5.55351 2.45016 -106.74000 869.84477
3855.0000 -111.37944 -107.05638 4.32306 2.46208 -106.58481 849.40141
3860.0000 -113.78800 -108.62032 5.16768 2.39971 -107.39709 836.23158
3865.0000 -113.29864 -109.04943 4.24921 2.29207 -108.79891 756.50270
3870.0000 -112.44721 -107.99476 4.45246 2.33331 -108.26183 790.72338
3875.0000 -112.46764 -107.51430 4.95335 2.43149 -106.98321 830.17625
3880.0000 -112.95853 -107.52031 5.43822 2.41152 -107.24333 840.97800
3885.0000 -112.06659 -108.03121 4.03538 2.37690 -107.69411 801.70497
3890.0000 -112.69007 -107.56432 5.12575 2.40615 -107.31314 843.44821
3895.0000 -111.90678 -106.97431 4.93247 2.40129 -107.37650 817.21624
3900.0000 -112.81469 -107.92697 4.88772 2.39066 -107.51488 816.22638
3905.0000 -112.89204 -108.01218 4.87986 2.35989 -107.91571 820.57886
3910.0000 -111.94037 -107.77279 4.16757 2.32418 -108.38080 805.44212
3915.0000 -113.39462 -108.63422 4.76040 2.23885 -109.49207 702.73119
3920.0000 -112.26261 -106.69560 5.56701 2.33602 -108.22649 787.98401
3925.0000 -112.22321 -107.73500 4.48820 2.36411 -107.86076 803.22234
3930.0000 -112.74811 -108.47177 4.27634 2.35617 -107.96412 793.95486
3935.0000 -113.37252 -108.93869 4.43384 2.28563 -108.88286 770.57018
3940.0000 -114.12868 -109.38245 4.74623 2.26033 -109.21228 731.39571
3945.0000 -113.16424 -108.46314 4.70110 2.31525 -108.49702 766.22764
3950.0000 -112.29428 -106.08717 6.20711 2.40641 -107.30985 837.48979
3955.0000 -112.07001 -106.40412 5.66589 2.53025 -105.69694 918.44309
3960.0000 -112.03047 -106.33084 5.69963 2.51432 -105.90444 909.34381
3965.0000 -111.71516 -106.50783 5.20733 2.49603 -106.14266 880.19483
3970.0000 -111.67373 -106.03797 5.63576 2.51219 -105.93218 901.93453
3975.0000 -112.98900 -108.03874 4.95026 2.44915 -106.75313 904.74434
3980.0000 -112.65722 -107.70015 4.95707 2.35255 -108.01128 805.07666
3985.0000 -113.25489 -108.05783 5.19706 2.33211 -108.27748 785.82073
3990.0000 -113.77371 -108.93005 4.84367 2.35824 -107.93714 807.15751
3995.0000 -112.92853 -108.02915 4.89938 2.33163 -108.28375 791.85112
4000.0000 -111.15344 -106.36780 4.78564 2.43742 -106.90591 881.57349
FREEZING PROCESS: loop number 17 T-loop= 821.00000000000000
main_MD> interactions number 17 at Temperature= 821.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50472 -1.65468 1.33678
force_rgl> df(natom) 1.89324 1.88395 -0.61910
4005.0000 -112.87712 -106.98003 5.89709 2.45359 -106.69535 895.62828
4010.0000 -111.71505 -106.24206 5.47299 2.43015 -107.00068 825.79903
4015.0000 -112.10984 -106.42203 5.68781 2.47827 -106.37396 910.57680
4020.0000 -111.08373 -106.51315 4.57058 2.49308 -106.18111 913.40424
4025.0000 -112.34471 -105.84713 6.49758 2.45861 -106.62997 871.26886
4030.0000 -111.66947 -106.25489 5.41458 2.50749 -105.99345 914.05874
4035.0000 -112.20938 -107.49472 4.71465 2.40011 -107.39185 791.62122
4040.0000 -113.04729 -108.76506 4.28222 2.36093 -107.90213 795.09554
4045.0000 -112.69785 -107.44078 5.25707 2.37608 -107.70486 833.80902
4050.0000 -111.71274 -107.75161 3.96113 2.33843 -108.19510 756.12297
4055.0000 -113.22064 -109.12793 4.09271 2.35205 -108.01778 774.29051
4060.0000 -112.46176 -108.12485 4.33692 2.24698 -109.38620 698.24334
4065.0000 -112.96265 -108.67639 4.28626 2.32574 -108.36047 756.73911
4070.0000 -112.44830 -106.60888 5.83941 2.38595 -107.57624 815.41889
4075.0000 -112.02945 -106.17589 5.85356 2.50174 -106.06829 909.14225
4080.0000 -111.33180 -105.42364 5.90816 2.53628 -105.61840 916.58887
4085.0000 -112.21265 -106.53565 5.67700 2.49249 -106.18879 895.65315
4090.0000 -112.65710 -108.35220 4.30490 2.42146 -107.11380 860.39174
4095.0000 -112.66436 -108.62208 4.04228 2.26958 -109.09185 701.97956
4100.0000 -113.27052 -107.63888 5.63164 2.38508 -107.58763 828.40188
4105.0000 -111.72976 -106.97078 4.75897 2.44420 -106.81764 852.72759
4110.0000 -112.52850 -108.11087 4.41763 2.42080 -107.12244 852.87217
4115.0000 -112.69888 -107.69714 5.00175 2.34996 -108.04501 791.25369
4120.0000 -112.64081 -107.94430 4.69650 2.37721 -107.69008 777.34555
4125.0000 -113.45593 -108.40978 5.04615 2.29466 -108.76517 758.54874
4130.0000 -112.62061 -107.89701 4.72359 2.33087 -108.29363 777.44468
4135.0000 -112.95315 -108.15645 4.79670 2.33159 -108.28426 818.19372
4140.0000 -112.85709 -108.61832 4.23878 2.40314 -107.35236 847.46748
4145.0000 -113.57808 -109.06792 4.51016 2.31518 -108.49802 778.55878
4150.0000 -113.36286 -107.76911 5.59375 2.28958 -108.83136 760.48840
4155.0000 -113.30169 -108.77303 4.52866 2.30930 -108.57457 787.92610
4160.0000 -112.99721 -108.01423 4.98298 2.29351 -108.78022 750.62640
4165.0000 -113.63838 -107.67426 5.96411 2.41688 -107.17350 854.21236
4170.0000 -112.17693 -106.89688 5.28005 2.44419 -106.81779 834.16531
4175.0000 -112.94189 -107.70790 5.23399 2.34422 -108.11970 759.95988
4180.0000 -113.62695 -107.69091 5.93604 2.39038 -107.51865 846.14353
4185.0000 -113.74466 -108.90328 4.84138 2.31374 -108.51667 774.09257
4190.0000 -113.12343 -109.15150 3.97193 2.26889 -109.10084 746.55108
4195.0000 -112.24317 -107.64672 4.59645 2.36811 -107.80865 802.02860
4200.0000 -112.18630 -106.35771 5.82859 2.42910 -107.01430 853.97441
4205.0000 -110.02184 -105.75596 4.26588 2.46693 -106.52163 831.16167
4210.0000 -111.90010 -106.21334 5.68676 2.50956 -105.96637 891.88637
4215.0000 -112.17877 -107.34191 4.83686 2.44796 -106.76863 878.00732
4220.0000 -113.46605 -107.88623 5.57982 2.44007 -106.87140 857.10062
4225.0000 -112.35838 -107.23309 5.12529 2.36269 -107.87922 812.13064
4230.0000 -111.83215 -106.83513 4.99701 2.42077 -107.12283 846.93747
4235.0000 -112.28422 -107.00599 5.27823 2.46226 -106.58246 891.53874
4240.0000 -112.14596 -107.07043 5.07554 2.41735 -107.16733 851.81752
4245.0000 -112.54876 -106.91396 5.63480 2.46645 -106.52785 876.14764
4250.0000 -112.51640 -107.37661 5.13979 2.41689 -107.17328 858.57550
FREEZING PROCESS: loop number 18 T-loop= 796.00000000000000
main_MD> interactions number 18 at Temperature= 796.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.83520 -2.72886 0.87485
force_rgl> df(natom) -0.26981 2.68054 -2.30948
4255.0000 -113.42787 -109.74390 3.68397 2.35291 -108.00660 828.24531
4260.0000 -113.27659 -108.34552 4.93107 2.28105 -108.94245 733.38702
4265.0000 -113.46738 -108.81221 4.65516 2.25548 -109.27545 710.31206
4270.0000 -112.09269 -107.56213 4.53056 2.28941 -108.83355 726.19277
4275.0000 -113.39514 -108.42290 4.97224 2.38288 -107.61633 799.41148
4280.0000 -113.60599 -109.92662 3.67937 2.23009 -109.60619 720.77952
4285.0000 -114.21192 -109.86280 4.34912 2.23223 -109.57824 708.35821
4290.0000 -113.53094 -108.42110 5.10983 2.30510 -108.62926 764.64489
4295.0000 -112.31337 -107.22801 5.08536 2.36286 -107.87702 843.05439
4300.0000 -113.28390 -107.88615 5.39774 2.36832 -107.80584 803.64929
4305.0000 -111.77152 -107.10434 4.66718 2.34656 -108.08922 761.73750
4310.0000 -110.61479 -106.61590 3.99889 2.46404 -106.55927 853.83127
4315.0000 -113.28965 -108.21879 5.07087 2.37655 -107.69869 798.85263
4320.0000 -113.42110 -108.02410 5.39700 2.34829 -108.06673 794.10126
4325.0000 -111.85927 -107.89371 3.96556 2.36718 -107.82069 802.80522
4330.0000 -112.30414 -107.47372 4.83042 2.39590 -107.44673 807.88224
4335.0000 -113.57408 -109.00906 4.56502 2.34525 -108.10630 786.03646
4340.0000 -113.36023 -108.76206 4.59817 2.25708 -109.25463 703.37818
4345.0000 -112.58607 -106.86419 5.72189 2.39353 -107.47755 818.43112
4350.0000 -112.76392 -106.69662 6.06729 2.45785 -106.63992 837.51560
4355.0000 -112.67779 -108.71782 3.95998 2.34439 -108.11756 794.03552
4360.0000 -112.97488 -108.09355 4.88133 2.33288 -108.26750 770.29209
4365.0000 -112.88538 -108.07034 4.81505 2.33408 -108.25186 779.00981
4370.0000 -113.66792 -108.58459 5.08333 2.32150 -108.41562 772.97039
4375.0000 -112.86283 -108.88791 3.97492 2.28279 -108.91977 747.10921
4380.0000 -113.22758 -108.79988 4.42770 2.33277 -108.26883 760.17292
4385.0000 -112.87580 -107.97466 4.90114 2.30985 -108.56736 757.90791
4390.0000 -114.05058 -109.69516 4.35543 2.33590 -108.22814 800.41509
4395.0000 -113.54106 -109.25439 4.28668 2.27059 -109.07869 750.06535
4400.0000 -112.79232 -108.26706 4.52526 2.25264 -109.31248 713.98960
4405.0000 -113.47267 -108.90200 4.57068 2.33526 -108.23639 746.65435
4410.0000 -112.22722 -107.32988 4.89734 2.38026 -107.65044 789.74343
4415.0000 -112.24339 -105.63461 6.60879 2.44148 -106.85304 880.92580
4420.0000 -111.69034 -106.56877 5.12157 2.43706 -106.91067 850.25075
4425.0000 -113.79622 -108.40272 5.39350 2.38838 -107.54463 809.99091
4430.0000 -112.69105 -108.01617 4.67487 2.36586 -107.83792 850.60880
4435.0000 -112.47939 -107.25048 5.22891 2.37176 -107.76104 802.30617
4440.0000 -113.00250 -108.44944 4.55306 2.34458 -108.11504 809.74921
4445.0000 -111.88222 -108.16604 3.71618 2.32099 -108.42226 770.18499
4450.0000 -113.15153 -108.30467 4.84686 2.36041 -107.90894 808.51292
4455.0000 -113.74634 -108.66240 5.08394 2.33231 -108.27485 745.43175
4460.0000 -112.24011 -106.83551 5.40460 2.34459 -108.11491 804.66939
4465.0000 -112.97108 -108.66547 4.30561 2.39693 -107.43322 850.60413
4470.0000 -113.73947 -109.45915 4.28032 2.26497 -109.15191 735.01070
4475.0000 -111.94403 -106.38597 5.55805 2.36979 -107.78679 824.41405
4480.0000 -112.34102 -106.77989 5.56113 2.49336 -106.17747 913.21470
4485.0000 -112.63752 -108.00558 4.63194 2.39426 -107.46801 853.68996
4490.0000 -111.39371 -106.55601 4.83770 2.40801 -107.28898 830.15734
4495.0000 -112.49073 -107.36784 5.12289 2.41388 -107.21257 831.75024
4500.0000 -111.81066 -107.46120 4.34946 2.42913 -107.01397 854.32522
FREEZING PROCESS: loop number 19 T-loop= 771.00000000000000
main_MD> interactions number 19 at Temperature= 771.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78585 3.80319 -3.25226
force_rgl> df(natom) -0.54995 -0.35568 1.37917
4505.0000 -113.35318 -108.80755 4.54563 2.34197 -108.14909 754.25591
4510.0000 -113.45057 -108.63592 4.81465 2.30897 -108.57885 762.11805
4515.0000 -114.02342 -109.41042 4.61300 2.28172 -108.93373 736.46139
4520.0000 -112.69955 -107.13938 5.56017 2.29216 -108.79778 739.03718
4525.0000 -112.79008 -106.84946 5.94061 2.47352 -106.43585 897.45764
4530.0000 -111.93249 -107.29024 4.64225 2.36368 -107.86636 796.44268
4535.0000 -113.08225 -107.89508 5.18717 2.37259 -107.75021 798.64058
4540.0000 -113.55416 -108.47056 5.08361 2.33348 -108.25961 782.18469
4545.0000 -113.19123 -108.15105 5.04019 2.32864 -108.32265 791.20086
4550.0000 -114.47878 -109.75145 4.72733 2.23439 -109.55009 705.08102
4555.0000 -112.94991 -107.79363 5.15627 2.32103 -108.42171 790.56770
4560.0000 -114.51344 -110.46795 4.04548 2.25105 -109.33313 731.28237
4565.0000 -114.95160 -111.16526 3.78634 2.14396 -110.72788 683.19905
4570.0000 -113.45616 -109.48256 3.97361 2.15738 -110.55311 693.43053
4575.0000 -112.62961 -108.21614 4.41347 2.27584 -109.01037 748.11313
4580.0000 -112.68091 -107.56854 5.11237 2.33402 -108.25264 805.38975
4585.0000 -113.10814 -107.42206 5.68608 2.39210 -107.49619 841.66804
4590.0000 -112.51868 -108.45848 4.06019 2.32815 -108.32904 769.88557
4595.0000 -111.45030 -105.90956 5.54074 2.40165 -107.37186 830.07680
4600.0000 -111.78738 -106.98559 4.80179 2.47497 -106.41695 854.63711
4605.0000 -112.79510 -108.42708 4.36803 2.38769 -107.55356 788.84031
4610.0000 -113.89915 -109.14096 4.75818 2.29638 -108.74275 739.98817
4615.0000 -112.56054 -107.93967 4.62087 2.33104 -108.29141 784.82660
4620.0000 -112.35165 -107.31257 5.03908 2.36503 -107.84868 806.37429
4625.0000 -112.61005 -107.06481 5.54524 2.38895 -107.53716 805.71885
4630.0000 -112.68937 -105.83884 6.85053 2.49370 -106.17294 887.41305
4635.0000 -112.24298 -107.58271 4.66027 2.43401 -106.95034 845.32073
4640.0000 -112.89162 -108.23937 4.65225 2.36150 -107.89476 801.88721
4645.0000 -114.48721 -110.15703 4.33018 2.27492 -109.02232 739.26151
4650.0000 -113.63201 -109.77937 3.85264 2.24329 -109.43417 716.60253
4655.0000 -113.69646 -108.87070 4.82576 2.27180 -109.06298 758.25379
4660.0000 -114.08261 -109.36180 4.72081 2.22521 -109.66965 716.24755
4665.0000 -113.92212 -109.08125 4.84087 2.28897 -108.83928 774.15689
4670.0000 -112.66797 -108.41117 4.25680 2.32054 -108.42812 768.07939
4675.0000 -112.76314 -108.66879 4.09434 2.32991 -108.30618 793.44307
4680.0000 -113.46813 -109.03403 4.43409 2.28759 -108.85726 766.35208
4685.0000 -113.09875 -109.00625 4.09249 2.28526 -108.88765 713.49352
4690.0000 -113.15741 -109.13728 4.02013 2.25116 -109.33179 706.81236
4695.0000 -114.71979 -109.26281 5.45699 2.27065 -109.07793 774.99038
4700.0000 -114.17899 -108.52106 5.65793 2.28822 -108.84907 779.19875
4705.0000 -113.02403 -108.35593 4.66810 2.28984 -108.82802 746.78753
4710.0000 -113.41834 -109.17552 4.24282 2.36136 -107.89656 788.42957
4715.0000 -113.51014 -109.36371 4.14643 2.26082 -109.20596 718.91699
4720.0000 -114.24576 -109.37566 4.87010 2.25297 -109.30811 708.85483
4725.0000 -112.85940 -108.46377 4.39563 2.27043 -109.08081 732.55132
4730.0000 -113.45304 -108.59957 4.85347 2.32309 -108.39491 788.82678
4735.0000 -113.44213 -109.31752 4.12462 2.33327 -108.26240 785.98866
4740.0000 -112.90586 -108.68905 4.21681 2.29251 -108.79324 736.64520
4745.0000 -113.00733 -107.43162 5.57570 2.35963 -107.91909 784.45868
4750.0000 -112.56915 -107.81347 4.75569 2.36677 -107.82606 784.64874
FREEZING PROCESS: loop number 20 T-loop= 746.00000000000000
main_MD> interactions number 20 at Temperature= 746.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.31922 -4.18581 -0.65486
force_rgl> df(natom) 2.44576 2.23201 -1.68946
4755.0000 -113.13341 -108.60601 4.52740 2.34695 -108.08425 796.71747
4760.0000 -114.43556 -110.02448 4.41109 2.24516 -109.40985 738.31301
4765.0000 -112.92899 -108.48134 4.44765 2.25253 -109.31391 731.37208
4770.0000 -114.13429 -109.01875 5.11554 2.30268 -108.66069 792.17525
4775.0000 -113.59085 -108.96066 4.63019 2.32312 -108.39451 784.12024
4780.0000 -112.41930 -108.44798 3.97132 2.25318 -109.30546 730.19286
4785.0000 -112.38853 -107.99703 4.39150 2.30806 -108.59069 775.04169
4790.0000 -112.53908 -107.65296 4.88612 2.37449 -107.72550 787.63622
4795.0000 -112.90446 -107.93255 4.97191 2.37812 -107.67824 799.71469
4800.0000 -112.82814 -108.63337 4.19477 2.32646 -108.35101 746.82451
4805.0000 -114.17993 -110.62359 3.55634 2.20883 -109.88299 678.73141
4810.0000 -114.83847 -110.74631 4.09215 2.15478 -110.58693 621.96241
4815.0000 -114.38169 -109.87268 4.50900 2.19583 -110.05240 701.16117
4820.0000 -112.58952 -108.61289 3.97663 2.25529 -109.27788 735.25448
4825.0000 -112.82272 -107.76111 5.06161 2.31444 -108.50758 775.75971
4830.0000 -113.76515 -108.95232 4.81283 2.33919 -108.18526 781.83825
4835.0000 -112.25225 -108.36702 3.88523 2.29230 -108.79588 733.90148
4840.0000 -113.08779 -109.50077 3.58701 2.27795 -108.98288 705.47156
4845.0000 -113.33868 -110.10757 3.23110 2.20615 -109.91795 674.03224
4850.0000 -113.73583 -109.10325 4.63257 2.23910 -109.48878 718.75468
4855.0000 -113.20975 -109.43191 3.77784 2.27042 -109.08088 709.39510
4860.0000 -113.81199 -109.20776 4.60423 2.27261 -109.05242 732.91922
4865.0000 -114.50288 -110.19058 4.31229 2.20482 -109.93519 673.46973
4870.0000 -114.67265 -109.61053 5.06212 2.20222 -109.96914 692.84066
4875.0000 -113.42139 -108.29583 5.12556 2.24945 -109.35399 749.68791
4880.0000 -113.09773 -108.31797 4.77976 2.38812 -107.54795 817.73784
4885.0000 -113.46060 -108.57175 4.88884 2.34115 -108.15970 790.26400
4890.0000 -112.81769 -108.41748 4.40022 2.31712 -108.47267 758.27222
4895.0000 -112.61668 -107.99791 4.61878 2.39916 -107.40422 833.85528
4900.0000 -114.18928 -109.55172 4.63756 2.26830 -109.10847 698.94154
4905.0000 -113.81842 -109.86583 3.95259 2.25479 -109.28446 734.91070
4910.0000 -113.92373 -109.11871 4.80503 2.22330 -109.69457 686.72340
4915.0000 -113.94733 -109.34089 4.60644 2.27500 -109.02125 723.87991
4920.0000 -113.39230 -108.68530 4.70700 2.27498 -109.02151 748.69107
4925.0000 -113.09320 -108.09346 4.99974 2.29649 -108.74136 786.54897
4930.0000 -113.47266 -108.59913 4.87353 2.35663 -107.95811 799.68017
4935.0000 -113.61177 -109.35031 4.26146 2.29135 -108.80826 707.85453
4940.0000 -112.97803 -109.51938 3.45866 2.23503 -109.54180 696.66581
4945.0000 -114.66601 -110.92233 3.74368 2.16853 -110.40786 628.85636
4950.0000 -114.99005 -111.00417 3.98589 2.12125 -111.02365 624.30432
4955.0000 -113.05603 -109.14496 3.91107 2.21037 -109.86293 708.87985
4960.0000 -114.08370 -109.33082 4.75288 2.20569 -109.92394 684.25845
4965.0000 -113.69523 -109.57288 4.12235 2.24869 -109.36385 705.10159
4970.0000 -112.10943 -108.61539 3.49403 2.24568 -109.40313 705.86065
4975.0000 -113.09370 -108.27950 4.81420 2.31282 -108.52876 772.82084
4980.0000 -114.00706 -109.74345 4.26361 2.21339 -109.82359 690.78020
4985.0000 -113.37212 -108.65113 4.72098 2.24905 -109.35921 686.27807
4990.0000 -113.95210 -109.68190 4.27019 2.26263 -109.18239 705.63095
4995.0000 -113.01812 -109.03021 3.98790 2.25631 -109.26463 723.68531
5000.0000 -113.07316 -108.42571 4.64744 2.28846 -108.84595 726.60410
FREEZING PROCESS: loop number 21 T-loop= 721.00000000000000
main_MD> interactions number 21 at Temperature= 721.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26848 -0.05986 -0.89731
force_rgl> df(natom) 1.54412 -1.49363 -0.75283
5005.0000 -113.17954 -108.69416 4.48538 2.31985 -108.43709 777.62337
5010.0000 -113.24045 -108.32003 4.92042 2.31235 -108.53484 762.17041
5015.0000 -114.20253 -108.50541 5.69712 2.30904 -108.57797 769.50818
5020.0000 -113.88023 -109.97520 3.90502 2.26068 -109.20772 732.21824
5025.0000 -113.10560 -109.93395 3.17165 2.21439 -109.81063 700.17987
5030.0000 -114.84812 -108.89388 5.95424 2.22435 -109.68096 692.10343
5035.0000 -113.91348 -109.61165 4.30183 2.24272 -109.44163 717.90272
5040.0000 -112.30174 -108.30297 3.99877 2.29104 -108.81229 736.17566
5045.0000 -113.29135 -109.31742 3.97393 2.30338 -108.65163 740.24191
5050.0000 -113.70195 -109.74377 3.95818 2.22210 -109.71017 686.36542
5055.0000 -113.85284 -109.63947 4.21336 2.27230 -109.05636 725.34476
5060.0000 -112.87204 -108.56822 4.30382 2.28697 -108.86540 721.53423
5065.0000 -112.81973 -108.17951 4.64022 2.31558 -108.49280 735.16174
5070.0000 -112.95761 -108.08382 4.87379 2.36292 -107.87615 791.49185
5075.0000 -114.23443 -109.67007 4.56436 2.26920 -109.09685 733.35869
5080.0000 -113.11378 -109.16779 3.94598 2.24760 -109.37805 717.56514
5085.0000 -113.77933 -109.13057 4.64876 2.25342 -109.30236 711.22748
5090.0000 -114.08047 -109.12925 4.95122 2.28728 -108.86137 726.44760
5095.0000 -113.54230 -109.19532 4.34698 2.26325 -109.17427 707.01528
5100.0000 -113.38171 -109.66677 3.71494 2.24173 -109.45461 703.11225
5105.0000 -112.81920 -108.38019 4.43901 2.31890 -108.44945 796.50569
5110.0000 -113.25006 -108.77744 4.47262 2.25566 -109.27316 698.65204
5115.0000 -113.35963 -109.00115 4.35848 2.27128 -109.06975 681.05497
5120.0000 -114.09465 -109.30033 4.79431 2.27513 -109.01956 758.97221
5125.0000 -113.37927 -108.89273 4.48655 2.28239 -108.92503 764.66413
5130.0000 -115.01056 -110.30473 4.70584 2.23699 -109.51623 726.31950
5135.0000 -113.39528 -109.57350 3.82177 2.19179 -110.10490 681.22371
5140.0000 -113.35865 -109.32579 4.03286 2.17319 -110.34718 658.44692
5145.0000 -113.92472 -109.47397 4.45075 2.27609 -109.00711 713.62763
5150.0000 -113.34520 -108.76883 4.57637 2.30246 -108.66363 762.93039
5155.0000 -114.03112 -109.04894 4.98218 2.28265 -108.92156 717.61616
5160.0000 -114.26608 -109.42718 4.83890 2.24839 -109.36786 721.13509
5165.0000 -114.55921 -110.41213 4.14708 2.23303 -109.56784 705.19034
5170.0000 -113.87963 -109.71237 4.16726 2.18587 -110.18204 672.68752
5175.0000 -114.11645 -109.23247 4.88397 2.22623 -109.65635 706.60870
5180.0000 -113.90301 -109.66517 4.23784 2.26356 -109.17028 747.80012
5185.0000 -114.70249 -110.23470 4.46779 2.19282 -110.09148 672.45193
5190.0000 -113.68158 -109.36958 4.31200 2.21945 -109.74477 702.97231
5195.0000 -113.95210 -108.65619 5.29592 2.23603 -109.52883 706.51055
5200.0000 -112.77630 -107.90217 4.87414 2.34215 -108.14671 780.55115
5205.0000 -112.90734 -108.83210 4.07524 2.29213 -108.79821 739.22609
5210.0000 -113.25294 -108.62973 4.62320 2.29615 -108.74582 749.79726
5215.0000 -112.94726 -109.09567 3.85158 2.26160 -109.19578 687.52899
5220.0000 -112.98361 -108.63542 4.34819 2.27494 -109.02202 729.33089
5225.0000 -114.09704 -109.07993 5.01710 2.25557 -109.27425 708.46501
5230.0000 -113.72167 -109.07521 4.64646 2.28999 -108.82599 753.80603
5235.0000 -113.53085 -109.81739 3.71346 2.22392 -109.68646 715.87155
5240.0000 -113.95705 -110.34028 3.61678 2.17712 -110.29603 652.80959
5245.0000 -114.02710 -109.62604 4.40106 2.20656 -109.91258 656.71166
5250.0000 -113.83585 -108.42624 5.40961 2.26203 -109.19022 713.71676
FREEZING PROCESS: loop number 22 T-loop= 696.00000000000000
main_MD> interactions number 22 at Temperature= 696.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88785 1.35314 0.81279
force_rgl> df(natom) -0.05572 0.43099 0.08707
5255.0000 -113.72265 -109.42154 4.30110 2.27819 -108.97965 734.84494
5260.0000 -114.11469 -110.76540 3.34928 2.18453 -110.19956 653.55757
5265.0000 -114.79752 -110.48332 4.31420 2.15427 -110.59363 616.29599
5270.0000 -114.84211 -110.51379 4.32832 2.20030 -109.99416 718.66132
5275.0000 -113.54239 -109.55828 3.98411 2.19516 -110.06101 672.22596
5280.0000 -113.14601 -108.73847 4.40754 2.28573 -108.88145 716.02897
5285.0000 -112.86711 -109.46732 3.39979 2.26466 -109.15597 711.10550
5290.0000 -114.13480 -109.90143 4.23337 2.23351 -109.56156 678.38621
5295.0000 -114.06778 -109.36704 4.70075 2.25049 -109.34041 719.86965
5300.0000 -114.49850 -109.88167 4.61683 2.24264 -109.44267 709.00813
5305.0000 -113.17652 -109.67044 3.50608 2.20565 -109.92444 679.44811
5310.0000 -114.66076 -110.59594 4.06482 2.20173 -109.97550 664.32102
5315.0000 -113.81110 -109.74273 4.06838 2.20609 -109.91867 672.05073
5320.0000 -113.73371 -109.69330 4.04041 2.23345 -109.56243 689.23562
5325.0000 -114.48382 -109.99664 4.48717 2.18502 -110.19315 660.64081
5330.0000 -113.38498 -110.17937 3.20561 2.21270 -109.83258 683.49009
5335.0000 -113.85542 -108.77267 5.08275 2.20684 -109.90891 674.33075
5340.0000 -113.33013 -108.78792 4.54220 2.31017 -108.56317 737.98938
5345.0000 -114.46283 -110.31810 4.14473 2.22642 -109.65396 679.05555
5350.0000 -114.85341 -111.17246 3.68095 2.13716 -110.81639 632.49649
5355.0000 -115.22624 -111.10970 4.11654 2.10485 -111.23728 603.83430
5360.0000 -114.31968 -110.59167 3.72801 2.15375 -110.60036 622.28773
5365.0000 -113.82768 -109.90731 3.92037 2.16731 -110.42377 645.11204
5370.0000 -113.64012 -110.05748 3.58265 2.17180 -110.36526 630.46446
5375.0000 -114.32930 -110.24670 4.08260 2.23597 -109.52951 677.48187
5380.0000 -113.53009 -109.57904 3.95105 2.23204 -109.58075 695.20024
5385.0000 -112.69640 -109.19627 3.50013 2.26646 -109.13243 695.15466
5390.0000 -113.96415 -109.94534 4.01881 2.28299 -108.91722 716.78926
5395.0000 -113.70970 -110.58134 3.12836 2.19185 -110.10419 650.54560
5400.0000 -114.16989 -110.34616 3.82374 2.15294 -110.61095 612.22046
5405.0000 -113.22655 -109.99497 3.23157 2.15793 -110.54598 646.60699
5410.0000 -114.47756 -110.89741 3.58015 2.17853 -110.27762 657.02204
5415.0000 -114.35871 -110.20375 4.15497 2.12949 -110.91630 604.44420
5420.0000 -114.33179 -110.97855 3.35323 2.12985 -110.91159 607.87796
5425.0000 -114.49716 -110.67577 3.82140 2.14637 -110.69643 641.45142
5430.0000 -114.54946 -110.87032 3.67914 2.13946 -110.78648 641.75815
5435.0000 -113.76656 -109.78816 3.97841 2.16948 -110.39556 658.20211
5440.0000 -114.80643 -111.12260 3.68383 2.14060 -110.77166 616.98952
5445.0000 -113.92538 -109.09104 4.83434 2.19101 -110.11516 646.13892
5450.0000 -113.27822 -109.00991 4.26831 2.25164 -109.32551 711.84675
5455.0000 -114.22161 -109.53689 4.68472 2.23956 -109.48286 698.03060
5460.0000 -113.94046 -110.01415 3.92631 2.21085 -109.85674 670.99720
5465.0000 -113.95176 -109.32462 4.62714 2.19881 -110.01349 678.77476
5470.0000 -112.88853 -107.96580 4.92273 2.31057 -108.55796 761.98637
5475.0000 -114.23330 -109.03822 5.19508 2.28977 -108.82884 728.18800
5480.0000 -113.43341 -109.88913 3.54428 2.23125 -109.59101 689.86753
5485.0000 -113.95789 -110.14814 3.80975 2.18916 -110.13918 658.03870
5490.0000 -112.95574 -109.30699 3.64875 2.21282 -109.83111 671.01222
5495.0000 -114.64414 -109.90929 4.73485 2.22518 -109.67007 716.32398
5500.0000 -115.17012 -110.30420 4.86592 2.17017 -110.38654 652.16603
FREEZING PROCESS: loop number 23 T-loop= 671.00000000000000
main_MD> interactions number 23 at Temperature= 671.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15784 -1.75921 1.49430
force_rgl> df(natom) 1.25287 0.25406 -7.00580
5505.0000 -114.81336 -111.25143 3.56193 2.12411 -110.98641 643.86156
5510.0000 -115.20981 -111.62859 3.58122 2.12694 -110.94956 656.41861
5515.0000 -114.09275 -109.51661 4.57614 2.14863 -110.66701 662.72339
5520.0000 -113.53802 -108.86640 4.67162 2.25614 -109.26682 709.71727
5525.0000 -114.07919 -109.28891 4.79028 2.23574 -109.53258 688.53983
5530.0000 -114.18468 -109.61641 4.56827 2.26528 -109.14784 731.08535
5535.0000 -114.35112 -109.73074 4.62038 2.25529 -109.27793 736.19340
5540.0000 -114.69262 -109.47713 5.21549 2.23758 -109.50865 723.67381
5545.0000 -113.68782 -109.21607 4.47175 2.24886 -109.36171 703.27984
5550.0000 -113.72504 -110.09019 3.63485 2.22118 -109.72214 683.28120
5555.0000 -113.50586 -110.34702 3.15884 2.18034 -110.25407 656.31577
5560.0000 -113.93659 -110.61943 3.31716 2.14550 -110.70778 644.74073
5565.0000 -113.73873 -109.76280 3.97593 2.16966 -110.39317 645.19862
5570.0000 -114.68279 -110.72460 3.95819 2.19844 -110.01832 698.89810
5575.0000 -113.94876 -110.12224 3.82652 2.13742 -110.81309 629.54183
5580.0000 -113.62044 -110.02482 3.59561 2.21144 -109.84899 652.18003
5585.0000 -112.83124 -107.99132 4.83993 2.23881 -109.49255 699.04100
5590.0000 -113.20633 -109.48861 3.71772 2.29942 -108.70328 746.22160
5595.0000 -114.67186 -110.53708 4.13479 2.21512 -109.80109 694.87834
5600.0000 -114.37651 -110.17750 4.19901 2.16013 -110.51726 650.10959
5605.0000 -114.53886 -111.23918 3.29968 2.13598 -110.83181 608.47976
5610.0000 -114.83758 -110.35695 4.48063 2.17457 -110.32922 656.57079
5615.0000 -114.34263 -110.78442 3.55821 2.12850 -110.92925 642.07374
5620.0000 -113.81962 -110.51639 3.30323 2.16821 -110.41199 654.72665
5625.0000 -114.02703 -109.91218 4.11484 2.21057 -109.86037 671.66644
5630.0000 -113.67869 -108.84105 4.83764 2.23173 -109.58483 698.79506
5635.0000 -113.86774 -109.19425 4.67349 2.26169 -109.19459 726.42655
5640.0000 -113.18357 -107.75816 5.42541 2.30198 -108.66990 742.54635
5645.0000 -113.85724 -108.91775 4.93949 2.32586 -108.35886 765.22745
5650.0000 -114.76432 -110.71942 4.04491 2.21803 -109.76320 681.88224
5655.0000 -113.88072 -109.96342 3.91731 2.17688 -110.29911 660.85740
5660.0000 -113.99012 -109.79826 4.19187 2.19489 -110.06464 650.33298
5665.0000 -113.25209 -108.90261 4.34948 2.20240 -109.96672 692.29135
5670.0000 -114.55664 -108.87779 5.67885 2.24896 -109.36043 736.62592
5675.0000 -113.85881 -109.70820 4.15061 2.22128 -109.72092 707.86632
5680.0000 -114.26610 -110.06660 4.19950 2.21160 -109.84699 683.50888
5685.0000 -113.98672 -110.85867 3.12805 2.16312 -110.47834 658.12712
5690.0000 -114.01885 -110.06421 3.95463 2.19687 -110.03878 703.98612
5695.0000 -113.81412 -110.07126 3.74286 2.24876 -109.36304 752.54585
5700.0000 -115.44457 -112.07800 3.36657 2.11454 -111.11107 610.87079
5705.0000 -115.04213 -110.56879 4.47334 2.08160 -111.53997 583.07284
5710.0000 -113.67533 -109.80246 3.87288 2.19807 -110.02312 666.79053
5715.0000 -114.79493 -111.13986 3.65506 2.15762 -110.54994 632.67744
5720.0000 -113.05434 -108.61806 4.43628 2.24627 -109.39545 740.80126
5725.0000 -112.51401 -108.87061 3.64340 2.27178 -109.06323 699.66874
5730.0000 -114.01034 -109.76036 4.24998 2.25989 -109.21798 719.19485
5735.0000 -114.72152 -110.56233 4.15919 2.22307 -109.69761 708.69938
5740.0000 -113.78071 -109.62911 4.15159 2.19467 -110.06747 657.92743
5745.0000 -114.99312 -110.03311 4.96001 2.19666 -110.04157 659.12289
5750.0000 -114.72181 -110.32903 4.39278 2.22330 -109.69451 671.24489
FREEZING PROCESS: loop number 24 T-loop= 646.00000000000000
main_MD> interactions number 24 at Temperature= 646.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01427 1.44426 2.37651
force_rgl> df(natom) 0.14672 0.91825 -0.68693
5755.0000 -114.41735 -110.25346 4.16389 2.18192 -110.23348 659.52742
5760.0000 -114.21631 -110.61604 3.60027 2.13661 -110.82359 614.63273
5765.0000 -113.57092 -108.80092 4.77000 2.20641 -109.91450 656.19230
5770.0000 -113.94387 -110.20116 3.74271 2.25745 -109.24976 698.87305
5775.0000 -114.32986 -110.62115 3.70871 2.15212 -110.62160 626.43164
5780.0000 -114.07486 -110.64759 3.42727 2.16759 -110.42015 650.54788
5785.0000 -114.63575 -110.32187 4.31387 2.14202 -110.75307 641.03589
5790.0000 -115.58724 -111.67756 3.90968 2.11587 -111.09369 614.71647
5795.0000 -114.81902 -111.02049 3.79853 2.08655 -111.47562 586.95422
5800.0000 -114.84425 -111.16219 3.68207 2.11211 -111.14265 619.84586
5805.0000 -113.64696 -110.21321 3.43374 2.15977 -110.52191 651.09907
5810.0000 -114.72280 -110.33454 4.38826 2.19459 -110.06854 695.53100
5815.0000 -113.72546 -110.32715 3.39830 2.14962 -110.65418 636.22045
5820.0000 -113.23827 -110.05683 3.18144 2.18589 -110.18175 659.67020
5825.0000 -113.80814 -110.12311 3.68503 2.22422 -109.68261 670.55230
5830.0000 -114.48763 -110.56834 3.91928 2.18828 -110.15063 667.46872
5835.0000 -114.30056 -110.30834 3.99222 2.14493 -110.71521 625.24757
5840.0000 -114.27996 -110.45781 3.82215 2.14844 -110.66956 613.33893
5845.0000 -113.14345 -108.91262 4.23084 2.23366 -109.55958 677.85684
5850.0000 -113.91387 -110.39685 3.51701 2.26222 -109.18768 686.44282
5855.0000 -114.46704 -110.10575 4.36129 2.17588 -110.31212 687.93149
5860.0000 -114.24025 -110.53618 3.70408 2.17699 -110.29764 655.90223
5865.0000 -114.61816 -110.57443 4.04373 2.16097 -110.50628 653.95072
5870.0000 -113.65003 -108.60930 5.04074 2.20996 -109.86829 695.91518
5875.0000 -113.68409 -109.10939 4.57469 2.25759 -109.24804 726.61374
5880.0000 -113.49456 -109.32000 4.17456 2.26093 -109.20454 697.36158
5885.0000 -114.15765 -110.19461 3.96304 2.24778 -109.37574 688.93675
5890.0000 -114.77210 -111.26987 3.50222 2.14649 -110.69497 621.88026
5895.0000 -114.91171 -110.76913 4.14258 2.14739 -110.68323 642.14475
5900.0000 -115.20344 -111.35400 3.84944 2.09181 -111.40702 610.50508
5905.0000 -114.20728 -111.66424 2.54304 2.11098 -111.15733 608.86746
5910.0000 -113.89264 -110.61560 3.27703 2.14649 -110.69491 597.23416
5915.0000 -113.79484 -110.28652 3.50832 2.21340 -109.82348 650.24220
5920.0000 -113.88920 -108.87584 5.01336 2.24688 -109.38743 710.76296
5925.0000 -113.10289 -108.50139 4.60150 2.25261 -109.31286 721.60544
5930.0000 -113.51185 -109.09687 4.41498 2.27913 -108.96750 717.84555
5935.0000 -113.62136 -108.28196 5.33940 2.28547 -108.88490 750.60669
5940.0000 -114.50877 -110.11211 4.39667 2.29464 -108.76551 759.37727
5945.0000 -114.93812 -111.55411 3.38401 2.16436 -110.46221 646.99500
5950.0000 -114.88298 -111.58289 3.30009 2.10519 -111.23276 594.70220
5955.0000 -115.80395 -111.85215 3.95180 2.06927 -111.70064 590.44917
5960.0000 -114.12122 -110.44771 3.67351 2.11495 -111.10563 618.39877
5965.0000 -114.40038 -110.56945 3.83093 2.15599 -110.57113 652.46391
5970.0000 -114.84818 -110.78232 4.06586 2.15469 -110.58812 655.26546
5975.0000 -115.30068 -110.77434 4.52634 2.11916 -111.05083 620.24249
5980.0000 -114.56453 -110.36487 4.19966 2.17829 -110.28075 677.10585
5985.0000 -114.97139 -111.27988 3.69151 2.10905 -111.18252 640.18943
5990.0000 -114.22249 -110.10621 4.11629 2.12643 -110.95623 616.87898
5995.0000 -114.19308 -109.98006 4.21302 2.17767 -110.28882 626.12898
6000.0000 -113.88865 -110.07873 3.80992 2.22877 -109.62332 673.53108
FREEZING PROCESS: loop number 25 T-loop= 621.00000000000000
main_MD> interactions number 25 at Temperature= 621.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.28259 1.37630 -0.17094
force_rgl> df(natom) -1.08680 -5.94969 -0.82616
6005.0000 -114.69399 -110.58081 4.11318 2.17484 -110.32574 615.58671
6010.0000 -114.64522 -109.75685 4.88836 2.20049 -109.99159 689.47818
6015.0000 -114.78740 -110.63154 4.15586 2.16102 -110.50566 649.42146
6020.0000 -115.01134 -110.51051 4.50083 2.13814 -110.80360 656.57588
6025.0000 -114.89817 -110.94061 3.95756 2.15816 -110.54295 646.23618
6030.0000 -114.44593 -111.15084 3.29508 2.10111 -111.28588 592.07334
6035.0000 -114.56311 -111.20891 3.35420 2.11092 -111.15822 587.15882
6040.0000 -115.19349 -112.04491 3.14858 2.09975 -111.30366 611.93237
6045.0000 -114.77580 -111.23561 3.54019 2.09057 -111.42321 581.29982
6050.0000 -115.25630 -111.13184 4.12446 2.15765 -110.54959 626.92035
6055.0000 -115.11721 -111.20439 3.91281 2.11944 -111.04722 576.81303
6060.0000 -114.23084 -110.97471 3.25613 2.11796 -111.06643 600.30531
6065.0000 -114.35567 -110.25586 4.09982 2.16975 -110.39201 642.38091
6070.0000 -113.82629 -110.00543 3.82086 2.16034 -110.51448 640.36110
6075.0000 -115.02565 -111.25051 3.77514 2.16423 -110.46382 643.19481
6080.0000 -115.97374 -112.73605 3.23769 2.04811 -111.97624 561.60740
6085.0000 -115.78136 -112.59822 3.18315 2.00551 -112.53100 532.27704
6090.0000 -115.69977 -112.05975 3.64002 2.02311 -112.30180 549.53835
6095.0000 -114.78252 -111.02017 3.76235 2.10264 -111.26600 596.59815
6100.0000 -114.06960 -110.26089 3.80871 2.16302 -110.47969 641.23332
6105.0000 -114.26492 -110.27358 3.99134 2.21115 -109.85281 691.21727
6110.0000 -114.38675 -109.96171 4.42503 2.19613 -110.04845 672.57837
6115.0000 -115.53131 -110.81482 4.71649 2.21981 -109.74008 694.97959
6120.0000 -114.55820 -110.88981 3.66840 2.11696 -111.07948 610.26170
6125.0000 -115.24769 -110.96269 4.28500 2.14812 -110.67363 635.42802
6130.0000 -115.21165 -111.45096 3.76069 2.06153 -111.80143 563.46273
6135.0000 -115.21602 -111.39333 3.82269 2.08417 -111.50658 587.69208
6140.0000 -114.24474 -110.85421 3.39053 2.14470 -110.71818 632.11492
6145.0000 -115.25505 -111.75664 3.49840 2.09087 -111.41929 573.67691
6150.0000 -115.30450 -111.92930 3.37520 2.08897 -111.44409 570.89179
6155.0000 -114.25885 -110.20987 4.04898 2.09298 -111.39179 583.49168
6160.0000 -114.42744 -110.48696 3.94048 2.13810 -110.80418 601.15731
6165.0000 -114.55322 -111.39266 3.16056 2.13728 -110.81487 640.81604
6170.0000 -115.17727 -110.29791 4.87936 2.14056 -110.77219 642.19549
6175.0000 -113.66725 -110.25833 3.40892 2.20354 -109.95186 625.46780
6180.0000 -113.06479 -108.76730 4.29750 2.18996 -110.12875 625.60754
6185.0000 -113.59949 -109.39084 4.20865 2.27010 -109.08505 700.56104
6190.0000 -114.15207 -110.27078 3.88129 2.21662 -109.78153 660.05057
6195.0000 -114.48136 -110.87969 3.60167 2.14851 -110.66855 633.19318
6200.0000 -114.77625 -110.91196 3.86429 2.11071 -111.16093 585.75628
6205.0000 -114.59086 -110.29465 4.29621 2.16946 -110.39579 653.23301
6210.0000 -114.21593 -110.55853 3.65740 2.18151 -110.23881 677.94221
6215.0000 -115.08991 -111.65898 3.43093 2.13135 -110.89209 638.34025
6220.0000 -114.97754 -111.07827 3.89927 2.07542 -111.62049 601.37210
6225.0000 -114.37403 -110.86953 3.50450 2.13425 -110.85435 630.51267
6230.0000 -114.21619 -110.54293 3.67326 2.15571 -110.57482 618.21387
6235.0000 -114.91692 -110.84585 4.07107 2.12893 -110.92356 658.17176
6240.0000 -113.91903 -109.71250 4.20652 2.20197 -109.97234 699.84137
6245.0000 -113.13392 -109.34572 3.78821 2.21638 -109.78464 705.58672
6250.0000 -114.27734 -110.09175 4.18560 2.19946 -110.00503 683.23253
FREEZING PROCESS: loop number 26 T-loop= 596.00000000000000
main_MD> interactions number 26 at Temperature= 596.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17890 0.98251 0.20330
force_rgl> df(natom) 0.65770 1.35731 0.29387
6255.0000 -115.01031 -111.40262 3.60769 2.14224 -110.75021 611.40226
6260.0000 -115.29702 -111.64175 3.65526 2.09188 -111.40615 574.74408
6265.0000 -115.32035 -112.23112 3.08923 2.05788 -111.84897 576.00845
6270.0000 -115.72591 -111.74555 3.98036 2.05181 -111.92800 596.48767
6275.0000 -115.31536 -111.52183 3.79352 2.05059 -111.94393 580.79245
6280.0000 -114.88429 -110.88587 3.99842 2.08000 -111.56090 591.15824
6285.0000 -116.07139 -111.62769 4.44370 2.09850 -111.31991 619.72165
6290.0000 -115.38095 -111.90407 3.47688 2.07860 -111.57911 599.55326
6295.0000 -115.07762 -111.48579 3.59183 2.07838 -111.58193 590.26449
6300.0000 -115.10389 -111.58335 3.52054 2.08858 -111.44914 603.33761
6305.0000 -114.75624 -111.89471 2.86153 2.08457 -111.50128 578.22174
6310.0000 -114.97563 -111.74250 3.23313 2.05603 -111.87297 532.77670
6315.0000 -114.48574 -110.92080 3.56494 2.12493 -110.97569 590.12174
6320.0000 -114.44999 -110.77882 3.67117 2.14952 -110.65545 627.78074
6325.0000 -115.11516 -111.63384 3.48132 2.16257 -110.48548 634.26449
6330.0000 -115.07300 -111.93567 3.13733 2.08733 -111.46542 583.35971
6335.0000 -114.75640 -111.71364 3.04276 2.05117 -111.93628 564.22328
6340.0000 -115.56980 -112.14706 3.42274 2.05350 -111.90592 560.86578
6345.0000 -114.92613 -111.95574 2.97039 2.03164 -112.19071 534.74661
6350.0000 -114.50359 -111.00386 3.49973 2.11790 -111.06727 618.21087
6355.0000 -114.52095 -110.56392 3.95704 2.13854 -110.79842 653.50236
6360.0000 -115.38618 -111.39557 3.99060 2.11277 -111.13411 612.64684
6365.0000 -114.53723 -111.09123 3.44600 2.11661 -111.08405 611.56629
6370.0000 -114.68801 -111.06679 3.62123 2.15229 -110.61940 641.55642
6375.0000 -114.17433 -110.67873 3.49560 2.10458 -111.24076 590.84515
6380.0000 -113.74940 -109.88976 3.85964 2.17278 -110.35257 662.53059
6385.0000 -115.45711 -110.99411 4.46300 2.16177 -110.49586 639.63273
6390.0000 -114.64833 -111.00171 3.64662 2.12681 -110.95120 623.82780
6395.0000 -114.80475 -110.91200 3.89275 2.08492 -111.49677 573.74020
6400.0000 -113.56770 -109.96768 3.60002 2.15461 -110.58917 628.59435
6405.0000 -114.54666 -111.23837 3.30828 2.12597 -110.96214 599.69415
6410.0000 -114.28324 -110.95701 3.32623 2.12801 -110.93562 640.84585
6415.0000 -115.30976 -111.39235 3.91741 2.10994 -111.17089 621.50249
6420.0000 -114.41145 -111.34847 3.06298 2.09208 -111.40358 573.56544
6425.0000 -114.50301 -111.24445 3.25856 2.11504 -111.10455 624.37308
6430.0000 -114.88186 -111.10026 3.78160 2.09403 -111.37819 592.59729
6435.0000 -115.48799 -112.31289 3.17509 2.04992 -111.95258 546.34707
6440.0000 -115.57769 -111.63639 3.94130 2.08597 -111.48316 602.59045
6445.0000 -114.61619 -110.92216 3.69403 2.09137 -111.41275 606.44811
6450.0000 -113.38785 -110.35024 3.03761 2.17151 -110.36913 645.78826
6455.0000 -114.86096 -110.88647 3.97450 2.12404 -110.98735 603.18280
6460.0000 -114.54764 -111.03151 3.51613 2.13424 -110.85449 635.00136
6465.0000 -115.09979 -112.03482 3.06498 2.08920 -111.44110 593.47027
6470.0000 -114.45279 -110.73168 3.72111 2.10233 -111.27010 604.77981
6475.0000 -114.81371 -111.08617 3.72754 2.16876 -110.40484 634.42595
6480.0000 -114.08353 -110.14192 3.94161 2.15953 -110.52503 624.83092
6485.0000 -114.50913 -110.63167 3.87746 2.20536 -109.92816 680.85991
6490.0000 -115.33505 -112.31615 3.01889 2.09362 -111.38347 569.25750
6495.0000 -115.53471 -112.45446 3.08025 2.01170 -112.45031 520.22026
6500.0000 -115.63365 -112.07803 3.55563 2.02986 -112.21386 533.50484
FREEZING PROCESS: loop number 27 T-loop= 571.00000000000000
main_MD> interactions number 27 at Temperature= 571.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61101 -0.29633 2.22139
force_rgl> df(natom) -2.80339 0.78815 0.23189
6505.0000 -115.75087 -111.88889 3.86198 2.03933 -112.09055 558.61048
6510.0000 -115.91825 -112.10020 3.81804 2.04182 -112.05804 582.32325
6515.0000 -116.02119 -112.98067 3.04052 2.00130 -112.58579 526.87248
6520.0000 -115.68587 -111.79177 3.89411 2.05341 -111.90719 570.83209
6525.0000 -114.89103 -111.54494 3.34609 2.05270 -111.91641 572.16657
6530.0000 -115.88203 -111.78192 4.10011 2.06501 -111.75602 586.30345
6535.0000 -115.64361 -113.02942 2.61419 2.02166 -112.32059 535.98560
6540.0000 -115.61750 -111.92375 3.69376 1.99049 -112.72664 520.44942
6545.0000 -114.88335 -111.03576 3.84760 2.06241 -111.78999 553.35200
6550.0000 -116.15248 -112.86324 3.28924 2.04778 -111.98053 568.62857
6555.0000 -116.14718 -112.91964 3.22754 1.98187 -112.83887 509.89913
6560.0000 -115.64810 -112.04952 3.59857 2.01816 -112.36626 529.48216
6565.0000 -115.98631 -112.97615 3.01016 2.00197 -112.57709 516.78945
6570.0000 -116.12388 -112.84437 3.27951 1.99281 -112.69645 519.71208
6575.0000 -114.71530 -111.36999 3.34532 2.00781 -112.50109 529.41722
6580.0000 -115.37081 -111.12593 4.24489 2.11980 -111.04245 630.59843
6585.0000 -114.64838 -110.34900 4.29938 2.12882 -110.92506 666.23785
6590.0000 -114.04299 -110.37878 3.66420 2.14860 -110.66743 625.91582
6595.0000 -114.66987 -111.40505 3.26482 2.12977 -110.91264 604.83814
6600.0000 -115.80856 -112.93772 2.87084 2.01729 -112.37760 541.65863
6605.0000 -114.30895 -110.62329 3.68566 2.03473 -112.15049 519.99797
6610.0000 -114.77952 -111.19060 3.58892 2.15683 -110.56021 654.63999
6615.0000 -114.67094 -111.65459 3.01635 2.07214 -111.66323 571.29310
6620.0000 -114.77750 -111.74776 3.02973 2.06510 -111.75493 526.65966
6625.0000 -114.66723 -110.93935 3.72788 2.09572 -111.35616 550.70865
6630.0000 -113.89875 -110.26481 3.63394 2.12450 -110.98132 623.63650
6635.0000 -114.39167 -110.82560 3.56607 2.17688 -110.29909 651.48818
6640.0000 -115.19163 -112.11278 3.07885 2.11335 -111.12649 581.22851
6645.0000 -114.89990 -111.76507 3.13483 2.05595 -111.87412 570.57653
6650.0000 -115.82455 -111.94197 3.88258 2.07576 -111.61611 582.81205
6655.0000 -115.25449 -111.63195 3.62254 2.06149 -111.80190 562.90236
6660.0000 -115.64760 -111.57765 4.06995 2.04942 -111.95916 574.80664
6665.0000 -114.92131 -111.67561 3.24570 2.07282 -111.65436 578.96277
6670.0000 -115.54497 -112.13978 3.40519 2.05652 -111.86669 556.10021
6675.0000 -115.05975 -111.00681 4.05293 2.08770 -111.46053 586.64563
6680.0000 -115.73977 -112.64254 3.09723 2.09382 -111.38085 590.28034
6685.0000 -115.10771 -111.40933 3.69839 2.06597 -111.74354 592.81886
6690.0000 -115.85572 -112.21217 3.64354 2.05652 -111.86659 583.88077
6695.0000 -114.85793 -111.24015 3.61777 2.08252 -111.52805 585.40959
6700.0000 -115.31214 -111.80787 3.50427 2.07655 -111.60579 580.10842
6705.0000 -114.91371 -110.88286 4.03085 2.08991 -111.43186 595.24773
6710.0000 -114.97831 -111.79139 3.18692 2.05382 -111.90182 554.66059
6715.0000 -114.97644 -110.82564 4.15080 2.07678 -111.60279 559.81042
6720.0000 -114.33572 -110.79558 3.54014 2.12184 -111.01598 622.36396
6725.0000 -114.00106 -110.85596 3.14511 2.12729 -110.94491 593.48928
6730.0000 -114.39331 -109.95499 4.43831 2.17015 -110.38675 646.75773
6735.0000 -115.34816 -111.84976 3.49841 2.13203 -110.88329 643.79716
6740.0000 -115.30464 -112.00905 3.29558 2.09678 -111.34231 602.91077
6745.0000 -115.17102 -111.45337 3.71765 2.04925 -111.96137 549.83270
6750.0000 -115.55544 -111.54202 4.01342 2.09128 -111.41396 597.11533
FREEZING PROCESS: loop number 28 T-loop= 546.00000000000000
main_MD> interactions number 28 at Temperature= 546.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85994 1.26438 1.92857
force_rgl> df(natom) 0.14653 0.70514 0.22206
6755.0000 -115.08092 -111.57498 3.50595 2.07755 -111.59272 586.57004
6760.0000 -115.09462 -111.32941 3.76521 2.06126 -111.80497 559.80515
6765.0000 -114.42468 -111.73649 2.68819 2.10488 -111.23686 578.09866
6770.0000 -115.25016 -112.24338 3.00678 2.02287 -112.30485 501.99049
6775.0000 -116.24830 -112.11601 4.13229 2.03547 -112.14076 547.17485
6780.0000 -115.31992 -111.12656 4.19337 2.05012 -111.95002 579.53993
6785.0000 -115.33344 -111.85865 3.47479 2.06407 -111.76828 571.91263
6790.0000 -115.85563 -113.06406 2.79157 2.02020 -112.33964 541.04181
6795.0000 -115.42926 -112.46584 2.96342 1.98404 -112.81062 491.78396
6800.0000 -115.36006 -112.18104 3.17901 2.04312 -112.04111 523.19857
6805.0000 -115.68761 -111.82208 3.86553 2.04802 -111.97733 531.33878
6810.0000 -115.45895 -111.53321 3.92574 2.06507 -111.75529 586.63794
6815.0000 -115.77618 -111.82469 3.95150 2.07342 -111.64661 587.37731
6820.0000 -115.85273 -112.14325 3.70948 2.00063 -112.59457 551.66295
6825.0000 -115.45580 -111.99575 3.46005 2.06057 -111.81391 585.97672
6830.0000 -115.25177 -112.04130 3.21047 2.04724 -111.98751 541.94421
6835.0000 -115.75099 -112.03618 3.71481 2.07418 -111.63668 561.03529
6840.0000 -115.37159 -112.30088 3.07072 2.03359 -112.16530 557.83001
6845.0000 -115.32952 -112.37844 2.95108 2.00322 -112.56078 523.10312
6850.0000 -115.53382 -112.19535 3.33847 1.98370 -112.81503 506.73684
6855.0000 -115.56372 -112.77768 2.78604 2.03285 -112.17488 539.21470
6860.0000 -115.32896 -111.93448 3.39447 2.00663 -112.51641 525.42019
6865.0000 -115.09804 -111.44345 3.65459 2.09905 -111.31272 583.90885
6870.0000 -114.33650 -111.44142 2.89508 2.06915 -111.70214 580.43174
6875.0000 -115.62594 -112.72922 2.89672 2.02333 -112.29885 520.63939
6880.0000 -115.06022 -111.93180 3.12841 2.01967 -112.34656 539.82762
6885.0000 -115.21762 -111.75799 3.45964 2.06418 -111.76690 549.36195
6890.0000 -114.74304 -110.76128 3.98176 2.09323 -111.38858 585.47356
6895.0000 -115.38780 -111.98799 3.39981 2.10721 -111.20653 597.96807
6900.0000 -115.56744 -112.12313 3.44430 2.08974 -111.43401 605.74640
6905.0000 -115.29981 -111.70603 3.59378 2.05916 -111.83227 574.97179
6910.0000 -115.44795 -111.97786 3.47010 2.01305 -112.43277 535.99039
6915.0000 -115.10328 -112.05627 3.04701 2.03347 -112.16688 554.79546
6920.0000 -115.66463 -112.66662 2.99800 2.04401 -112.02956 562.65394
6925.0000 -116.12935 -112.75509 3.37426 1.99546 -112.66188 533.28731
6930.0000 -115.96922 -113.38935 2.57986 1.97095 -112.98113 491.25689
6935.0000 -116.39305 -113.90413 2.48892 1.92191 -113.61973 451.46705
6940.0000 -115.56259 -112.21150 3.35109 1.96595 -113.04615 499.00914
6945.0000 -115.66238 -112.43947 3.22291 2.01444 -112.41468 535.32274
6950.0000 -115.43973 -112.60646 2.83326 2.03035 -112.20742 508.64202
6955.0000 -115.48898 -112.12776 3.36123 1.99323 -112.69091 496.85321
6960.0000 -115.51235 -112.16700 3.34535 2.01186 -112.44828 524.38285
6965.0000 -115.68804 -112.05126 3.63677 2.05669 -111.86444 563.22861
6970.0000 -115.36082 -112.11796 3.24286 2.04337 -112.03795 541.27214
6975.0000 -115.37126 -111.97638 3.39488 2.02987 -112.21373 515.65250
6980.0000 -115.66573 -112.50783 3.15790 2.01824 -112.36523 527.88927
6985.0000 -115.97577 -112.55901 3.41676 2.02635 -112.25960 542.01811
6990.0000 -115.28071 -112.33660 2.94411 2.03792 -112.10886 547.93836
6995.0000 -115.15955 -111.57579 3.58376 2.06196 -111.79586 554.60761
7000.0000 -114.99878 -111.67635 3.32243 2.05444 -111.89372 546.71354
FREEZING PROCESS: loop number 29 T-loop= 521.00000000000000
main_MD> interactions number 29 at Temperature= 521.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.08808 -2.36628 1.45161
force_rgl> df(natom) -0.39541 0.68526 2.32432
7005.0000 -115.42006 -112.05540 3.36466 2.03083 -112.20117 550.22653
7010.0000 -115.67123 -111.59129 4.07994 2.06095 -111.80893 560.18492
7015.0000 -115.58666 -112.06706 3.51959 2.07020 -111.68854 579.09965
7020.0000 -115.01313 -111.49253 3.52061 2.04252 -112.04901 537.78660
7025.0000 -115.78321 -112.58992 3.19329 2.05226 -111.92208 569.85037
7030.0000 -115.27779 -111.72344 3.55435 2.05644 -111.86769 567.30006
7035.0000 -115.90974 -112.25131 3.65842 2.04020 -112.07920 556.02449
7040.0000 -116.04437 -113.17042 2.87395 1.98711 -112.77069 510.11582
7045.0000 -116.13759 -113.02579 3.11180 1.95376 -113.20501 501.27022
7050.0000 -116.28319 -113.33890 2.94429 1.95577 -113.17880 510.59164
7055.0000 -115.94418 -112.62665 3.31753 2.00416 -112.54856 516.88006
7060.0000 -115.46705 -112.56680 2.90025 2.00336 -112.55905 534.32693
7065.0000 -115.45300 -112.62097 2.83203 2.01890 -112.35659 557.06455
7070.0000 -116.52101 -113.44907 3.07195 1.98877 -112.74901 520.88697
7075.0000 -115.64452 -112.65574 2.98878 1.93829 -113.40647 466.33009
7080.0000 -115.86411 -112.60931 3.25480 1.99388 -112.68244 522.89691
7085.0000 -115.32059 -111.40903 3.91156 2.03851 -112.10118 527.56923
7090.0000 -115.77620 -112.76686 3.00934 1.97296 -112.95485 513.20105
7095.0000 -116.18732 -112.97673 3.21059 1.96873 -113.00996 515.79998
7100.0000 -115.77591 -112.07554 3.70037 2.00506 -112.53687 515.24656
7105.0000 -115.50070 -112.22632 3.27438 2.05270 -111.91638 574.07421
7110.0000 -115.15591 -112.11099 3.04492 2.01613 -112.39262 538.40476
7115.0000 -115.85840 -112.77569 3.08271 1.98184 -112.83920 491.79145
7120.0000 -116.51678 -112.52202 3.99476 1.97381 -112.94383 488.21487
7125.0000 -115.75246 -112.15814 3.59432 2.00374 -112.55403 521.27937
7130.0000 -116.29901 -112.90979 3.38922 2.01133 -112.45523 543.00195
7135.0000 -116.24934 -113.65125 2.59809 1.94667 -113.29728 491.17411
7140.0000 -116.53133 -112.76985 3.76148 1.96168 -113.10185 503.87317
7145.0000 -115.87315 -112.76995 3.10320 2.01701 -112.38126 567.92633
7150.0000 -116.23675 -113.34467 2.89208 1.96667 -113.03685 520.02751
7155.0000 -116.03644 -112.91064 3.12580 1.96011 -113.12221 473.97848
7160.0000 -115.36775 -112.31340 3.05435 2.00073 -112.59320 507.30941
7165.0000 -115.16564 -111.65286 3.51278 2.07099 -111.67822 556.55665
7170.0000 -115.25111 -112.20503 3.04607 2.03131 -112.19494 551.09647
7175.0000 -115.08261 -112.55274 2.52986 2.03458 -112.15240 524.46463
7180.0000 -115.19425 -112.50868 2.68557 2.04285 -112.04471 525.03334
7185.0000 -116.20034 -112.53611 3.66423 2.03825 -112.10455 537.33001
7190.0000 -115.73625 -111.99328 3.74297 2.03948 -112.08855 557.59812
7195.0000 -115.92262 -112.68690 3.23572 1.99165 -112.71145 511.73955
7200.0000 -116.48539 -113.47366 3.01173 1.95051 -113.24733 474.74422
7205.0000 -117.09950 -114.27865 2.82086 1.91614 -113.69491 443.07173
7210.0000 -116.26212 -112.72320 3.53892 1.95103 -113.24045 461.07053
7215.0000 -115.96757 -113.22562 2.74195 1.97406 -112.94057 507.34253
7220.0000 -115.80127 -113.04686 2.75440 1.96809 -113.01839 513.49725
7225.0000 -116.98795 -112.75563 4.23232 2.02071 -112.33308 548.56031
7230.0000 -116.58157 -112.82107 3.76050 1.98538 -112.79316 525.83760
7235.0000 -116.29876 -112.80592 3.49284 1.97112 -112.97883 525.88399
7240.0000 -116.05328 -113.11478 2.93850 1.99147 -112.71382 525.93945
7245.0000 -115.81673 -112.65523 3.16150 1.98664 -112.77668 505.94574
7250.0000 -115.65333 -113.06355 2.58977 1.97801 -112.88919 498.21894
FREEZING PROCESS: loop number 30 T-loop= 496.00000000000000
main_MD> interactions number 30 at Temperature= 496.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52374 -0.62620 0.72278
force_rgl> df(natom) -0.90090 1.64156 -0.17149
7255.0000 -116.24719 -112.95668 3.29051 1.96959 -112.99877 512.47335
7260.0000 -115.47384 -111.74323 3.73061 2.01961 -112.34739 525.72606
7265.0000 -115.77343 -112.99975 2.77368 2.04273 -112.04631 563.10498
7270.0000 -115.77809 -113.07165 2.70645 1.94244 -113.35241 482.64058
7275.0000 -116.52684 -113.77352 2.75332 1.91346 -113.72983 452.77035
7280.0000 -117.13617 -114.19724 2.93893 1.91541 -113.70437 444.08235
7285.0000 -116.03950 -113.54351 2.49599 1.89012 -114.03374 423.00410
7290.0000 -116.13414 -113.57018 2.56396 1.91674 -113.68705 431.28872
7295.0000 -116.48156 -113.81173 2.66983 1.91330 -113.73183 451.04922
7300.0000 -116.42974 -113.67119 2.75855 1.91039 -113.76978 469.30200
7305.0000 -116.10435 -113.14244 2.96191 1.95422 -113.19897 515.44523
7310.0000 -116.65297 -113.27733 3.37564 1.95991 -113.12485 521.92822
7315.0000 -116.95831 -112.92930 4.02901 1.96724 -113.02942 540.72681
7320.0000 -116.40946 -113.34379 3.06567 1.93638 -113.43129 513.74583
7325.0000 -116.80586 -113.96507 2.84079 1.92935 -113.52285 493.25125
7330.0000 -117.13333 -113.39305 3.74027 1.92231 -113.61457 495.97581
7335.0000 -117.07958 -113.86604 3.21354 1.90494 -113.84083 497.68679
7340.0000 -117.23058 -114.00935 3.22123 1.88393 -114.11434 485.21846
7345.0000 -117.66587 -114.67525 2.99062 1.84672 -114.59898 440.53359
7350.0000 -117.32549 -114.61859 2.70690 1.85822 -114.44923 450.39802
7355.0000 -116.83729 -113.98939 2.84789 1.89323 -113.99324 459.05645
7360.0000 -117.35567 -114.75551 2.60015 1.87383 -114.24596 430.26932
7365.0000 -116.67204 -114.01786 2.65418 1.88972 -114.03894 466.42103
7370.0000 -117.47224 -114.53898 2.93326 1.86861 -114.31388 454.52055
7375.0000 -117.30916 -113.95638 3.35278 1.88988 -114.03696 483.72651
7380.0000 -116.52177 -112.85206 3.66972 1.93877 -113.40020 513.50075
7385.0000 -117.17038 -113.26188 3.90850 1.98324 -112.82100 554.75759
7390.0000 -116.58462 -112.99596 3.58866 1.96753 -113.02558 546.12070
7395.0000 -116.76279 -113.44914 3.31365 1.92744 -113.54778 490.59519
7400.0000 -115.83027 -112.52816 3.30211 1.95774 -113.15316 531.71113
7405.0000 -116.57595 -113.99429 2.58167 1.97068 -112.98462 537.36979
7410.0000 -116.78305 -113.69340 3.08965 1.91034 -113.77039 505.96028
7415.0000 -116.53342 -113.34556 3.18786 1.90328 -113.86245 476.55815
7420.0000 -116.35211 -113.48959 2.86252 1.93370 -113.46616 479.64976
7425.0000 -116.31858 -112.80756 3.51102 1.98695 -112.77268 516.57300
7430.0000 -115.81814 -112.71144 3.10671 1.98200 -112.83717 513.48442
7435.0000 -115.17409 -112.13533 3.03876 2.00410 -112.54941 509.64032
7440.0000 -115.21853 -112.09071 3.12781 2.03955 -112.08771 540.57813
7445.0000 -116.34484 -112.93710 3.40774 1.99595 -112.65546 513.93475
7450.0000 -116.12179 -113.06618 3.05561 1.96062 -113.11561 492.51090
7455.0000 -115.96575 -112.80913 3.15662 1.95823 -113.14676 498.67574
7460.0000 -116.20333 -113.68463 2.51869 1.94900 -113.26695 502.95888
7465.0000 -116.45956 -113.83388 2.62568 1.93243 -113.48276 479.39204
7470.0000 -116.83795 -114.21388 2.62407 1.89416 -113.98112 446.35773
7475.0000 -117.05798 -114.00560 3.05238 1.86865 -114.31345 431.70493
7480.0000 -116.24656 -113.92056 2.32600 1.91002 -113.77465 466.60045
7485.0000 -115.72760 -113.09486 2.63274 1.92073 -113.63516 456.10960
7490.0000 -115.89945 -112.22765 3.67181 1.98871 -112.74977 504.79151
7495.0000 -116.01022 -112.98704 3.02318 2.02040 -112.33712 543.04932
7500.0000 -115.78546 -112.88185 2.90361 1.98232 -112.83307 484.56969
FREEZING PROCESS: loop number 31 T-loop= 471.00000000000000
main_MD> interactions number 31 at Temperature= 471.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16750 1.24429 -0.01442
force_rgl> df(natom) -0.78321 2.87581 -1.17106
7505.0000 -115.89725 -113.48487 2.41239 1.96835 -113.01494 479.97209
7510.0000 -116.03129 -112.98870 3.04259 1.93243 -113.48278 458.95053
7515.0000 -116.60738 -113.57916 3.02821 1.93873 -113.40076 462.87190
7520.0000 -115.82587 -112.90167 2.92420 1.94834 -113.27550 459.18937
7525.0000 -116.47698 -113.52857 2.94841 1.95396 -113.20238 493.00284
7530.0000 -116.07209 -113.56736 2.50473 1.93375 -113.46554 468.20416
7535.0000 -115.83205 -113.20065 2.63140 1.97314 -112.95260 505.32484
7540.0000 -116.21546 -112.96586 3.24960 1.96610 -113.04423 486.21896
7545.0000 -115.75425 -112.88408 2.87017 1.99641 -112.64947 530.20558
7550.0000 -115.78200 -112.31178 3.47021 2.01004 -112.47205 524.90926
7555.0000 -116.32336 -113.84880 2.47455 1.99990 -112.60411 531.07231
7560.0000 -116.66528 -113.54884 3.11644 1.95810 -113.14846 515.04317
7565.0000 -116.97507 -113.98902 2.98605 1.92510 -113.57827 490.42827
7570.0000 -117.29419 -114.98622 2.30797 1.87234 -114.26539 445.15372
7575.0000 -116.75844 -114.09733 2.66111 1.85243 -114.52462 429.09813
7580.0000 -116.55632 -113.67331 2.88301 1.87911 -114.17723 450.09416
7585.0000 -116.62225 -114.08622 2.53604 1.89633 -113.95287 468.77589
7590.0000 -117.21782 -114.86480 2.35302 1.85812 -114.45050 431.84031
7595.0000 -117.18028 -114.14546 3.03482 1.86119 -114.41051 440.59921
7600.0000 -117.07836 -114.13531 2.94305 1.87615 -114.21568 452.82473
7605.0000 -117.03372 -114.34703 2.68669 1.89088 -114.02391 456.21576
7610.0000 -116.87085 -114.70096 2.16988 1.86696 -114.33535 431.47308
7615.0000 -116.55241 -114.07675 2.47566 1.85285 -114.51921 414.37775
7620.0000 -116.77701 -114.26708 2.50993 1.90291 -113.86718 448.70650
7625.0000 -116.60180 -113.93766 2.66414 1.87744 -114.19897 432.31956
7630.0000 -116.66073 -113.78354 2.87719 1.90749 -113.80754 452.05710
7635.0000 -116.57661 -114.26291 2.31370 1.86648 -114.34170 414.94345
7640.0000 -116.98161 -113.97612 3.00549 1.86368 -114.37815 417.56775
7645.0000 -116.10633 -113.49690 2.60943 1.91716 -113.68164 454.85883
7650.0000 -115.91984 -113.25402 2.66582 1.94558 -113.31156 454.19906
7655.0000 -116.28289 -113.51622 2.76667 1.94093 -113.37209 458.67643
7660.0000 -115.85473 -112.64577 3.20896 1.95801 -113.14960 484.09957
7665.0000 -116.04798 -112.80632 3.24166 1.97905 -112.87559 521.61092
7670.0000 -116.02466 -113.32733 2.69733 1.96047 -113.11764 505.11138
7675.0000 -116.89849 -113.61862 3.27987 1.91132 -113.75768 464.65417
7680.0000 -117.26822 -114.23490 3.03331 1.91174 -113.75221 481.33611
7685.0000 -117.10161 -114.51444 2.58718 1.88324 -114.12345 435.73767
7690.0000 -116.25131 -114.25971 1.99161 1.86990 -114.29713 438.88997
7695.0000 -115.45551 -112.38525 3.07026 1.92441 -113.58724 481.58217
7700.0000 -116.12112 -112.84874 3.27238 1.97789 -112.89067 482.13051
7705.0000 -116.07968 -112.76896 3.31072 1.99284 -112.69600 497.67566
7710.0000 -116.02873 -113.10037 2.92836 1.96419 -113.06910 485.93645
7715.0000 -115.37294 -112.44688 2.92606 1.94470 -113.32289 465.14909
7720.0000 -116.20527 -113.37173 2.83354 1.97213 -112.96566 485.72782
7725.0000 -115.80380 -112.83441 2.96940 1.95094 -113.24173 456.85514
7730.0000 -116.57120 -113.08422 3.48698 1.96717 -113.03035 488.98758
7735.0000 -115.58961 -112.85654 2.73307 1.96753 -113.02560 491.61253
7740.0000 -115.69259 -112.99503 2.69756 1.97202 -112.96715 492.73245
7745.0000 -116.57899 -113.25864 3.32034 1.96389 -113.07300 474.36611
7750.0000 -115.94755 -112.93676 3.01079 1.95397 -113.20223 484.66393
FREEZING PROCESS: loop number 32 T-loop= 446.00000000000000
main_MD> interactions number 32 at Temperature= 446.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.13260 1.97010 2.42758
force_rgl> df(natom) -0.02149 2.20292 -0.71320
7755.0000 -116.34771 -113.46147 2.88624 1.96669 -113.03655 469.27469
7760.0000 -116.40253 -114.12455 2.27798 1.90253 -113.87217 419.81748
7765.0000 -116.52443 -113.68320 2.84123 1.92707 -113.55252 453.77022
7770.0000 -116.59457 -113.66146 2.93312 1.90854 -113.79395 439.17506
7775.0000 -117.00592 -114.36474 2.64118 1.90192 -113.88005 441.66137
7780.0000 -116.82502 -114.12493 2.70009 1.87325 -114.25345 426.60009
7785.0000 -117.22862 -114.47296 2.75566 1.87560 -114.22292 439.59285
7790.0000 -117.03331 -114.06900 2.96431 1.86411 -114.37250 400.06143
7795.0000 -117.26491 -114.20744 3.05747 1.88231 -114.13548 454.06481
7800.0000 -116.40718 -113.52730 2.87988 1.92374 -113.59587 497.99851
7805.0000 -116.52233 -114.33465 2.18767 1.87952 -114.17184 456.31027
7810.0000 -116.46884 -114.18797 2.28086 1.88532 -114.09626 444.00124
7815.0000 -116.83746 -114.34974 2.48772 1.86001 -114.42595 427.43971
7820.0000 -116.56240 -113.98891 2.57349 1.89044 -114.02965 461.07612
7825.0000 -116.39971 -114.05757 2.34214 1.90136 -113.88745 466.07244
7830.0000 -116.99916 -113.85962 3.13954 1.88573 -114.09095 463.18410
7835.0000 -116.51441 -114.00850 2.50592 1.89862 -113.92305 465.17696
7840.0000 -116.76322 -113.95894 2.80428 1.90265 -113.87060 471.78819
7845.0000 -117.31505 -114.84422 2.47083 1.84935 -114.56475 426.35559
7850.0000 -117.52245 -114.05673 3.46572 1.86377 -114.37700 437.99752
7855.0000 -117.14829 -114.73560 2.41270 1.85471 -114.49491 428.10658
7860.0000 -117.13677 -114.57925 2.55752 1.86600 -114.34785 407.57282
7865.0000 -116.55252 -113.81066 2.74186 1.87155 -114.27564 401.04580
7870.0000 -117.25399 -114.30503 2.94897 1.85846 -114.44605 425.13066
7875.0000 -117.25526 -114.51662 2.73864 1.83616 -114.73657 402.84046
7880.0000 -116.94448 -114.79957 2.14491 1.85307 -114.51636 418.64793
7885.0000 -116.10055 -113.75116 2.34939 1.84826 -114.57899 405.13656
7890.0000 -116.48637 -114.00232 2.48405 1.89459 -113.97561 429.55981
7895.0000 -116.01846 -113.73269 2.28577 1.90448 -113.84677 431.29388
7900.0000 -115.69326 -113.19154 2.50172 1.93411 -113.46093 451.18575
7905.0000 -116.06369 -113.41143 2.65226 1.95322 -113.21198 467.56335
7910.0000 -116.12482 -113.31457 2.81025 1.93714 -113.42141 464.60431
7915.0000 -116.31090 -113.30747 3.00344 1.95107 -113.23996 479.59477
7920.0000 -116.80613 -113.66205 3.14408 1.94698 -113.29324 493.69944
7925.0000 -117.04373 -114.41481 2.62892 1.90002 -113.90488 440.62631
7930.0000 -116.54549 -113.90992 2.63557 1.87822 -114.18881 423.78408
7935.0000 -117.07573 -113.88988 3.18585 1.91573 -113.70023 466.48744
7940.0000 -116.46234 -114.22905 2.23330 1.90125 -113.88888 438.90934
7945.0000 -116.59158 -114.08844 2.50314 1.87320 -114.25414 408.18957
7950.0000 -116.01394 -113.55537 2.45857 1.88601 -114.08734 417.52971
7955.0000 -116.40232 -113.22599 3.17633 1.95555 -113.18161 482.02935
7960.0000 -116.82868 -113.80604 3.02264 1.92747 -113.54738 461.73669
7965.0000 -116.24762 -113.47679 2.77084 1.92667 -113.55773 453.53551
7970.0000 -116.03666 -113.16069 2.87598 1.95497 -113.18920 485.71623
7975.0000 -116.83115 -113.89546 2.93569 1.90909 -113.78670 437.54903
7980.0000 -116.32011 -113.13117 3.18894 1.89719 -113.94165 441.61333
7985.0000 -116.75595 -114.13085 2.62510 1.90875 -113.79118 443.55034
7990.0000 -116.71568 -113.78522 2.93045 1.91746 -113.67771 457.10989
7995.0000 -116.33026 -114.09573 2.23453 1.90474 -113.84337 446.31812
8000.0000 -116.45888 -113.91618 2.54271 1.91730 -113.67981 432.44055
FREEZING PROCESS: loop number 33 T-loop= 421.00000000000000
main_MD> interactions number 33 at Temperature= 421.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83614 2.02880 -0.14659
force_rgl> df(natom) -0.75573 1.19102 -1.60079
8005.0000 -116.61604 -114.24093 2.37511 1.89309 -113.99516 415.67804
8010.0000 -116.05433 -113.56470 2.48964 1.91038 -113.76992 428.55767
8015.0000 -116.46247 -114.02751 2.43496 1.87605 -114.21707 400.23775
8020.0000 -116.50558 -113.39990 3.10568 1.86383 -114.37620 396.34168
8025.0000 -116.18159 -113.96451 2.21708 1.90109 -113.89087 423.57200
8030.0000 -116.86157 -114.43566 2.42591 1.86718 -114.33259 390.64179
8035.0000 -116.70532 -114.88440 1.82092 1.86127 -114.40950 417.82454
8040.0000 -116.62746 -114.12784 2.49962 1.85968 -114.43022 405.01484
8045.0000 -117.39190 -114.28705 3.10485 1.86136 -114.40832 420.69894
8050.0000 -116.57165 -113.50389 3.06776 1.90168 -113.88328 453.20099
8055.0000 -116.41112 -113.71175 2.69937 1.95708 -113.16169 492.69416
8060.0000 -116.63993 -113.61425 3.02568 1.90304 -113.86552 445.44130
8065.0000 -117.13067 -114.26295 2.86772 1.89979 -113.90781 453.99221
8070.0000 -117.15156 -114.20651 2.94505 1.87538 -114.22570 430.90431
8075.0000 -116.52805 -114.53215 1.99590 1.85764 -114.45673 420.79674
8080.0000 -116.23770 -114.25033 1.98738 1.84415 -114.63253 385.99014
8085.0000 -117.33970 -114.06331 3.27639 1.89111 -114.02087 418.93032
8090.0000 -116.51628 -114.03159 2.48469 1.87198 -114.27004 440.46776
8095.0000 -116.60789 -114.50822 2.09967 1.89834 -113.92678 466.64490
8100.0000 -116.28263 -113.63564 2.64699 1.88595 -114.08807 452.10099
8105.0000 -116.95305 -114.36624 2.58681 1.89561 -113.96223 465.13113
8110.0000 -117.43265 -114.76638 2.66627 1.85314 -114.51540 432.67852
8115.0000 -117.12865 -114.50716 2.62149 1.84111 -114.67209 419.94988
8120.0000 -116.94962 -115.02309 1.92653 1.81934 -114.95555 393.31174
8125.0000 -117.73204 -114.71313 3.01890 1.81667 -114.99040 400.18188
8130.0000 -117.28991 -115.12845 2.16146 1.79598 -115.25980 377.35889
8135.0000 -117.28552 -115.16872 2.11681 1.81900 -114.96006 393.28715
8140.0000 -117.56933 -115.60072 1.96861 1.78723 -115.37375 373.23082
8145.0000 -117.56028 -115.23149 2.32879 1.77780 -115.49653 365.96979
8150.0000 -117.02868 -115.12782 1.90087 1.82060 -114.93923 393.79596
8155.0000 -117.26361 -115.09818 2.16543 1.81126 -115.06083 392.10443
8160.0000 -117.03066 -114.73012 2.30055 1.84384 -114.63654 423.28998
8165.0000 -117.56214 -115.37898 2.18315 1.81750 -114.97958 404.59366
8170.0000 -116.47861 -113.85614 2.62248 1.85317 -114.51497 434.96652
8175.0000 -116.99273 -113.65931 3.33343 1.91588 -113.69823 488.48037
8180.0000 -116.87128 -114.59605 2.27523 1.88179 -114.14225 453.21537
8185.0000 -117.08898 -114.21992 2.86906 1.87010 -114.29447 444.72196
8190.0000 -116.85225 -114.15708 2.69516 1.88430 -114.10953 460.74760
8195.0000 -117.20034 -114.66536 2.53498 1.85590 -114.47948 439.60806
8200.0000 -117.19052 -114.78451 2.40601 1.84904 -114.56884 393.26987
8205.0000 -116.50074 -113.94645 2.55430 1.87088 -114.28439 410.33983
8210.0000 -115.98104 -112.89560 3.08545 1.92898 -113.52770 473.14559
8215.0000 -116.74965 -114.16760 2.58205 1.89159 -114.01458 421.95709
8220.0000 -116.79965 -114.25481 2.54484 1.86771 -114.32568 400.39392
8225.0000 -116.36195 -114.02303 2.33892 1.87983 -114.16781 423.95969
8230.0000 -116.61361 -114.18852 2.42509 1.87138 -114.27788 407.53242
8235.0000 -116.75178 -114.23474 2.51703 1.88228 -114.13586 430.12813
8240.0000 -116.19266 -113.34556 2.84711 1.89563 -113.96199 447.71454
8245.0000 -116.55486 -114.27266 2.28220 1.88884 -114.05047 437.90197
8250.0000 -116.31305 -113.32986 2.98319 1.93549 -113.44294 482.05625
FREEZING PROCESS: loop number 34 T-loop= 396.00000000000000
main_MD> interactions number 34 at Temperature= 396.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.92539 -1.19938 0.20181
force_rgl> df(natom) 2.83040 -1.65653 -0.81755
8255.0000 -116.51022 -113.73765 2.77258 1.92859 -113.53279 454.14181
8260.0000 -117.14864 -114.56747 2.58117 1.84129 -114.66972 361.28172
8265.0000 -116.80194 -114.12748 2.67446 1.87946 -114.17262 429.21878
8270.0000 -117.46219 -114.66573 2.79646 1.88158 -114.14501 424.36976
8275.0000 -116.84324 -114.47059 2.37265 1.85088 -114.54480 395.25640
8280.0000 -117.35522 -115.32947 2.02574 1.82484 -114.88393 365.57971
8285.0000 -116.55761 -113.88963 2.66798 1.83937 -114.69473 381.96518
8290.0000 -116.91956 -113.75036 3.16919 1.89988 -113.90662 423.66472
8295.0000 -116.56720 -114.28660 2.28060 1.90568 -113.83115 433.31653
8300.0000 -117.20286 -114.63001 2.57285 1.84818 -114.58005 383.09130
8305.0000 -117.23634 -114.50544 2.73089 1.86104 -114.41253 411.00805
8310.0000 -117.87465 -115.06189 2.81276 1.80845 -115.09747 364.12393
8315.0000 -117.44153 -115.18376 2.25776 1.83233 -114.78636 395.65141
8320.0000 -117.10583 -114.35921 2.74663 1.83615 -114.73671 422.43741
8325.0000 -117.59381 -115.04601 2.54780 1.82621 -114.86617 406.18771
8330.0000 -117.38131 -114.51728 2.86403 1.85572 -114.48175 450.62574
8335.0000 -117.34343 -115.39167 1.95175 1.80548 -115.13605 400.25190
8340.0000 -117.61383 -115.02611 2.58772 1.83102 -114.80353 415.22131
8345.0000 -117.45611 -114.81522 2.64089 1.81749 -114.97969 396.87366
8350.0000 -117.64969 -115.34411 2.30559 1.81666 -114.99052 394.50902
8355.0000 -117.17083 -114.37934 2.79149 1.82408 -114.89381 393.91100
8360.0000 -117.45113 -115.06342 2.38770 1.86639 -114.34287 445.61038
8365.0000 -117.05073 -114.79559 2.25514 1.81481 -115.01466 403.30293
8370.0000 -117.17511 -114.72745 2.44767 1.83376 -114.76784 412.17042
8375.0000 -117.21891 -114.88130 2.33762 1.84586 -114.61018 436.49063
8380.0000 -117.47646 -114.95928 2.51718 1.82378 -114.89777 399.52531
8385.0000 -117.85417 -115.51174 2.34243 1.78384 -115.41793 368.55041
8390.0000 -117.28576 -114.93718 2.34858 1.78916 -115.34860 375.70286
8395.0000 -117.66304 -114.94609 2.71695 1.81458 -115.01765 402.50132
8400.0000 -118.08190 -115.35591 2.72599 1.81490 -115.01338 411.58794
8405.0000 -117.14767 -114.72423 2.42344 1.83163 -114.79555 410.48740
8410.0000 -117.15522 -114.15134 3.00388 1.83118 -114.80139 416.27151
8415.0000 -116.67914 -114.28759 2.39155 1.87265 -114.26127 450.57904
8420.0000 -117.72280 -115.69787 2.02492 1.81475 -115.01534 391.56856
8425.0000 -117.22341 -115.18653 2.03688 1.78638 -115.38491 362.74472
8430.0000 -117.55300 -114.67030 2.88270 1.82253 -114.91408 399.85419
8435.0000 -117.67699 -115.25364 2.42335 1.81591 -115.00025 401.49241
8440.0000 -117.46582 -115.59342 1.87239 1.78427 -115.41230 372.24924
8445.0000 -118.15239 -116.05559 2.09679 1.76946 -115.60525 359.30562
8450.0000 -117.92983 -115.17262 2.75721 1.77359 -115.55149 364.33915
8455.0000 -117.83277 -115.43979 2.39298 1.79353 -115.29173 393.18977
8460.0000 -117.08807 -115.01742 2.07065 1.81537 -115.00725 398.86738
8465.0000 -117.85100 -115.37208 2.47892 1.81080 -115.06685 398.85639
8470.0000 -117.49901 -115.35688 2.14213 1.77892 -115.48200 350.25676
8475.0000 -117.28977 -115.17834 2.11143 1.79860 -115.22568 364.55013
8480.0000 -117.35918 -115.40622 1.95296 1.81081 -115.06664 372.30040
8485.0000 -117.22168 -114.83884 2.38284 1.79167 -115.31592 348.42148
8490.0000 -117.09688 -114.80437 2.29252 1.83627 -114.73516 397.91444
8495.0000 -117.57777 -115.09469 2.48308 1.82475 -114.88518 385.60714
8500.0000 -117.46398 -115.27358 2.19041 1.81684 -114.98816 380.76945
FREEZING PROCESS: loop number 35 T-loop= 371.00000000000000
main_MD> interactions number 35 at Temperature= 371.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.96862 0.46784 2.26676
force_rgl> df(natom) -0.59288 -0.01226 -0.32365
8505.0000 -117.64183 -115.40593 2.23590 1.79365 -115.29011 357.06509
8510.0000 -117.12002 -114.83543 2.28459 1.78943 -115.34513 363.74347
8515.0000 -117.39826 -114.97480 2.42346 1.79982 -115.20983 380.14630
8520.0000 -117.61121 -115.37135 2.23986 1.78313 -115.42722 362.08221
8525.0000 -117.59399 -115.67190 1.92209 1.79868 -115.22470 371.48730
8530.0000 -117.37887 -115.15421 2.22466 1.77685 -115.50903 351.18363
8535.0000 -117.29141 -115.35554 1.93587 1.79632 -115.25537 372.10742
8540.0000 -117.60381 -115.88599 1.71782 1.76737 -115.63238 339.56861
8545.0000 -117.60175 -115.72046 1.88128 1.74476 -115.92684 321.19150
8550.0000 -117.36294 -115.42855 1.93439 1.77625 -115.51675 352.96137
8555.0000 -117.85546 -115.73669 2.11877 1.79129 -115.32086 370.16057
8560.0000 -117.65365 -114.84961 2.80405 1.76391 -115.67743 343.04308
8565.0000 -117.69547 -115.41695 2.27852 1.80749 -115.10993 385.69881
8570.0000 -117.86039 -115.84158 2.01881 1.75883 -115.74364 337.80111
8575.0000 -117.92957 -115.32778 2.60179 1.77771 -115.49772 355.92754
8580.0000 -117.04196 -114.73312 2.30884 1.79111 -115.32331 370.22203
8585.0000 -116.44940 -113.99478 2.45462 1.85274 -114.52063 426.24103
8590.0000 -116.90207 -114.04276 2.85931 1.88185 -114.14149 462.13552
8595.0000 -117.44863 -115.13630 2.31232 1.83831 -114.70853 408.30705
8600.0000 -117.48062 -115.01787 2.46275 1.80167 -115.18572 378.84487
8605.0000 -117.72212 -115.16334 2.55878 1.81231 -115.04720 387.51632
8610.0000 -117.58264 -115.65736 1.92529 1.77951 -115.47431 362.69291
8615.0000 -117.23720 -115.30133 1.93587 1.77113 -115.58341 351.32086
8620.0000 -117.37826 -115.39814 1.98012 1.78869 -115.35476 364.19716
8625.0000 -117.60758 -115.52169 2.08590 1.78509 -115.40167 355.69239
8630.0000 -117.05281 -115.12239 1.93042 1.79134 -115.32022 370.52720
8635.0000 -117.27352 -115.25126 2.02226 1.78891 -115.35190 366.94862
8640.0000 -117.78089 -115.30770 2.47319 1.79637 -115.25480 369.77355
8645.0000 -117.57969 -115.14393 2.43576 1.82266 -114.91238 399.32419
8650.0000 -117.64320 -115.19574 2.44746 1.80456 -115.14806 385.04486
8655.0000 -117.80753 -115.38232 2.42521 1.78018 -115.46563 374.48907
8660.0000 -117.67595 -115.60832 2.06763 1.78580 -115.39240 380.02646
8665.0000 -117.07152 -115.07042 2.00110 1.78686 -115.37862 374.24123
8670.0000 -117.83414 -115.16778 2.66636 1.81943 -114.95440 404.03867
8675.0000 -117.72369 -115.08131 2.64238 1.80300 -115.16835 387.56800
8680.0000 -117.25725 -114.73112 2.52613 1.80678 -115.11918 392.28866
8685.0000 -117.62002 -115.74508 1.87494 1.78513 -115.40111 366.96908
8690.0000 -117.94819 -115.52524 2.42295 1.77130 -115.58131 361.27921
8695.0000 -117.71613 -115.39872 2.31741 1.77263 -115.56391 361.66396
8700.0000 -117.97150 -115.91899 2.05252 1.77786 -115.49575 370.32586
8705.0000 -117.93029 -115.64425 2.28604 1.75689 -115.76886 346.02841
8710.0000 -118.19906 -115.97759 2.22147 1.73675 -116.03125 329.13521
8715.0000 -117.79941 -115.98088 1.81853 1.73557 -116.04654 327.31873
8720.0000 -117.72673 -116.02120 1.70553 1.74635 -115.90614 339.24693
8725.0000 -117.91655 -115.51677 2.39977 1.75577 -115.78348 352.51705
8730.0000 -117.93753 -115.27322 2.66432 1.79029 -115.33387 384.38501
8735.0000 -117.22249 -115.02963 2.19286 1.80349 -115.16199 392.07510
8740.0000 -117.74479 -115.57042 2.17436 1.78073 -115.45844 368.71991
8745.0000 -117.46981 -115.09720 2.37260 1.77420 -115.54351 362.16451
8750.0000 -118.01773 -116.31918 1.69855 1.76445 -115.67051 350.63196
FREEZING PROCESS: loop number 36 T-loop= 346.00000000000000
main_MD> interactions number 36 at Temperature= 346.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19618 0.73906 0.71703
force_rgl> df(natom) 2.31084 -0.60369 0.83760
8755.0000 -118.10262 -116.54284 1.55977 1.70740 -116.41344 298.10875
8760.0000 -118.25561 -116.00678 2.24883 1.70308 -116.46975 293.23130
8765.0000 -118.01306 -115.70115 2.31190 1.74261 -115.95495 327.33560
8770.0000 -118.09346 -116.11992 1.97354 1.73717 -116.02581 328.67175
8775.0000 -117.46039 -115.44748 2.01291 1.75710 -115.76616 341.93172
8780.0000 -117.79280 -115.77415 2.01866 1.77246 -115.56619 355.50861
8785.0000 -117.82328 -115.62834 2.19494 1.75948 -115.73519 358.01827
8790.0000 -117.72619 -115.66601 2.06018 1.76658 -115.64269 352.70534
8795.0000 -117.82423 -115.38010 2.44414 1.77041 -115.59285 357.48467
8800.0000 -117.85730 -115.76378 2.09352 1.74688 -115.89925 333.16209
8805.0000 -118.02031 -115.69121 2.32910 1.75827 -115.75101 345.42977
8810.0000 -117.95601 -115.81810 2.13792 1.77188 -115.57374 357.79038
8815.0000 -117.63092 -115.51373 2.11719 1.77408 -115.54501 360.67492
8820.0000 -117.99656 -115.76687 2.22969 1.77473 -115.53664 360.90400
8825.0000 -117.97405 -116.26713 1.70692 1.74007 -115.98804 330.44903
8830.0000 -118.17109 -116.05440 2.11669 1.72727 -116.15469 313.90942
8835.0000 -117.77364 -115.36010 2.41354 1.75835 -115.74992 341.43112
8840.0000 -117.19610 -114.94589 2.25021 1.81102 -115.06395 398.75381
8845.0000 -117.73173 -115.71400 2.01772 1.80223 -115.17848 384.69434
8850.0000 -118.17292 -115.56231 2.61061 1.76475 -115.66658 358.57990
8855.0000 -117.23962 -114.75649 2.48313 1.80585 -115.13131 394.26325
8860.0000 -117.84798 -115.32818 2.51980 1.79118 -115.32233 385.25919
8865.0000 -117.97126 -115.78164 2.18961 1.77590 -115.52137 369.05104
8870.0000 -117.99094 -116.27842 1.71252 1.72875 -116.13541 315.59221
8875.0000 -118.20443 -116.47752 1.72692 1.71534 -116.31005 301.97124
8880.0000 -117.68092 -115.76190 1.91902 1.73800 -116.01492 331.60119
8885.0000 -117.88568 -115.96891 1.91677 1.76394 -115.67705 349.40397
8890.0000 -118.05095 -115.76109 2.28986 1.73908 -116.00083 332.53383
8895.0000 -118.21600 -116.19765 2.01835 1.73585 -116.04294 331.03159
8900.0000 -117.94845 -116.01450 1.93395 1.73043 -116.11354 327.63649
8905.0000 -118.14897 -115.56849 2.58048 1.76192 -115.70347 354.35858
8910.0000 -117.91960 -116.19511 1.72449 1.73732 -116.02381 322.06585
8915.0000 -117.89341 -115.92942 1.96399 1.72468 -116.18844 314.83154
8920.0000 -118.54826 -116.30528 2.24298 1.74346 -115.94381 339.87121
8925.0000 -117.89880 -116.15965 1.73915 1.73371 -116.07081 319.98973
8930.0000 -117.62579 -115.69339 1.93240 1.73146 -116.10005 324.38710
8935.0000 -117.86155 -116.06701 1.79455 1.74813 -115.88304 342.28888
8940.0000 -118.16556 -116.09729 2.06827 1.72582 -116.17362 320.19831
8945.0000 -117.66769 -115.48341 2.18427 1.74506 -115.92298 334.23162
8950.0000 -118.08635 -115.73613 2.35022 1.77417 -115.54382 354.69176
8955.0000 -118.03844 -116.01995 2.01849 1.73776 -116.01808 323.74974
8960.0000 -117.48447 -115.28716 2.19730 1.75001 -115.85856 333.52416
8965.0000 -117.64161 -115.45054 2.19106 1.80151 -115.18775 396.47663
8970.0000 -118.17511 -116.09845 2.07665 1.74465 -115.92830 340.41043
8975.0000 -118.33838 -116.12446 2.21392 1.74377 -115.93979 337.19731
8980.0000 -117.67866 -116.09122 1.58743 1.72451 -116.19061 313.45623
8985.0000 -117.77079 -115.60666 2.16413 1.75203 -115.83218 341.84351
8990.0000 -118.05807 -115.76829 2.28978 1.76474 -115.66665 355.81982
8995.0000 -117.73053 -115.03324 2.69730 1.76937 -115.60642 358.14728
9000.0000 -117.74597 -115.41723 2.32874 1.77572 -115.52375 361.49181
FREEZING PROCESS: loop number 37 T-loop= 321.00000000000000
main_MD> interactions number 37 at Temperature= 321.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.23081 -1.42103 0.40045
force_rgl> df(natom) -0.18868 -0.01990 1.35947
9005.0000 -118.30458 -116.08245 2.22213 1.74270 -115.95370 324.77210
9010.0000 -118.10655 -116.41796 1.68859 1.72965 -116.12374 313.00519
9015.0000 -118.14654 -116.21755 1.92899 1.70666 -116.42314 296.38568
9020.0000 -118.03301 -116.23028 1.80273 1.73289 -116.08142 325.16532
9025.0000 -118.06887 -116.11115 1.95772 1.74368 -115.94101 336.72032
9030.0000 -118.12901 -116.21910 1.90991 1.72280 -116.21295 312.58815
9035.0000 -117.93332 -115.83163 2.10169 1.74276 -115.95292 325.23482
9040.0000 -117.82361 -115.81651 2.00710 1.76832 -115.62005 354.15679
9045.0000 -117.32541 -115.28180 2.04361 1.78104 -115.45440 366.00551
9050.0000 -117.71022 -115.71470 1.99552 1.78616 -115.38769 369.05788
9055.0000 -118.00022 -115.71350 2.28672 1.74638 -115.90582 337.93825
9060.0000 -118.20229 -116.18695 2.01534 1.73186 -116.09485 327.66970
9065.0000 -118.19020 -116.62837 1.56182 1.70468 -116.44891 298.44744
9070.0000 -118.27217 -116.51213 1.76003 1.69616 -116.55987 287.27518
9075.0000 -118.03879 -115.66503 2.37375 1.72239 -116.21823 313.18603
9080.0000 -117.86618 -116.11531 1.75088 1.77131 -115.58112 364.01924
9085.0000 -118.29615 -116.32505 1.97110 1.70916 -116.39053 299.90997
9090.0000 -118.06261 -115.98377 2.07884 1.72488 -116.18586 313.58308
9095.0000 -118.09695 -116.28747 1.80948 1.71157 -116.35918 291.68748
9100.0000 -118.53856 -116.91279 1.62577 1.67198 -116.87476 263.09753
9105.0000 -118.23477 -116.23696 1.99781 1.67691 -116.81058 267.15714
9110.0000 -118.03678 -116.22605 1.81073 1.73157 -116.09862 326.46435
9115.0000 -117.86505 -116.00936 1.85570 1.75102 -115.84535 351.01784
9120.0000 -117.64724 -115.78853 1.85871 1.74610 -115.90949 338.82685
9125.0000 -117.59601 -115.72064 1.87537 1.74424 -115.93366 331.24260
9130.0000 -118.42624 -116.27723 2.14901 1.74041 -115.98353 326.58195
9135.0000 -117.88263 -115.95585 1.92678 1.73636 -116.03631 328.86660
9140.0000 -118.18597 -116.88638 1.29959 1.71225 -116.35025 308.61108
9145.0000 -118.06213 -116.35300 1.70913 1.69279 -116.60368 287.61549
9150.0000 -118.15491 -116.25781 1.89710 1.72891 -116.13338 321.22894
9155.0000 -117.89162 -115.53376 2.35786 1.76929 -115.60743 359.81604
9160.0000 -117.66736 -115.53880 2.12856 1.75770 -115.75843 347.75736
9165.0000 -117.83198 -115.31788 2.51410 1.77572 -115.52373 362.44310
9170.0000 -117.52518 -115.68423 1.84094 1.76790 -115.62547 337.45317
9175.0000 -118.07248 -116.04533 2.02715 1.73539 -116.04889 306.69024
9180.0000 -117.86924 -115.85291 2.01632 1.73986 -115.99071 318.31711
9185.0000 -118.20500 -115.92306 2.28194 1.74348 -115.94359 326.45291
9190.0000 -117.91497 -116.04158 1.87339 1.73759 -116.02028 320.11122
9195.0000 -117.76808 -115.64865 2.11942 1.75872 -115.74511 347.24969
9200.0000 -118.28600 -116.04792 2.23809 1.74938 -115.86677 339.07400
9205.0000 -117.97372 -116.51089 1.46283 1.72064 -116.24106 314.51275
9210.0000 -118.30769 -116.49344 1.81425 1.70063 -116.50166 295.44308
9215.0000 -117.81481 -115.77450 2.04031 1.72143 -116.23076 315.64436
9220.0000 -118.19925 -116.41360 1.78565 1.74568 -115.91498 340.30710
9225.0000 -118.02112 -116.33874 1.68238 1.70177 -116.48680 298.36461
9230.0000 -117.80949 -115.98592 1.82357 1.71819 -116.27293 312.69517
9235.0000 -117.76836 -115.93204 1.83632 1.73006 -116.11838 323.14915
9240.0000 -118.55192 -116.53888 2.01305 1.72319 -116.20784 314.39511
9245.0000 -118.52868 -116.77903 1.74964 1.71101 -116.36641 307.02504
9250.0000 -118.41044 -116.50631 1.90413 1.67894 -116.78406 272.93857
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 9 [min], 0.0083591 [s].
main_MD> Deallocating global variables
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