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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_41/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_41.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 = 41 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 2000
main_MD> Size of nv and nvoiz: 41 4100
main_MD> Size of nv and nvoiz: 41 4100
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 = 41
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> 0.16125577352774356 -1.6245097360675888E-002 -0.18305240618247401 initial drift of cluster / NP1 for coalescence
init> 0.34863539818797629 0.30940211714816612 0.26432892750390513 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.9037171341151531E-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) 0.03394 -3.24336 1.42899
force_rgl> df(natom) 2.80633 2.86279 -7.93399
preparo> THERMALIZATION PROCESS AT 1320.8458576680484
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -85.023641286562196 7.1046290445680267 -92.128270331130224 6.5844514384178344E-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 40
FREEZING PROCESS: loop number 1 T-loop= 1297.0000000000000
main_MD> interactions number 1 at Temperature= 1297.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.84466 0.57653 -1.95854
force_rgl> df(natom) -1.01977 -3.43119 -1.67816
5.0000 -92.49573 -85.77435 6.72138 3.01142 -85.14362 1349.23276
10.0000 -92.47016 -83.81242 8.65774 3.05745 -84.59626 1415.63723
15.0000 -91.12822 -83.86234 7.26588 3.15576 -83.42732 1486.91704
20.0000 -92.25744 -86.05545 6.20199 3.07198 -84.42351 1403.81064
25.0000 -93.02706 -85.19030 7.83676 2.97686 -85.55449 1274.65207
30.0000 -93.28505 -87.11644 6.16861 3.06325 -84.52738 1436.24786
35.0000 -92.69514 -85.60939 7.08575 2.97486 -85.57837 1276.37402
40.0000 -93.73641 -85.27828 8.45814 2.95062 -85.86648 1311.11998
45.0000 -95.00088 -88.30978 6.69110 2.84778 -87.08931 1261.60930
50.0000 -92.76411 -86.45269 6.31142 2.79631 -87.70130 1211.51640
55.0000 -93.31113 -86.84850 6.46262 3.00219 -85.25334 1386.13623
60.0000 -94.30523 -87.80292 6.50231 2.79096 -87.76497 1159.05995
65.0000 -93.65457 -87.44860 6.20597 2.81309 -87.50176 1193.70225
70.0000 -93.70360 -85.88789 7.81571 2.91504 -86.28953 1287.80856
75.0000 -94.43350 -88.34963 6.08387 2.85325 -87.02428 1216.07577
80.0000 -93.97415 -87.10205 6.87210 2.75250 -88.22224 1166.50705
85.0000 -91.79371 -84.10019 7.69353 2.96069 -85.74683 1324.79453
90.0000 -91.90298 -84.42797 7.47501 3.08111 -84.31501 1431.13566
95.0000 -92.31086 -85.24450 7.06637 3.01259 -85.12964 1362.80925
100.0000 -91.29695 -86.05972 5.23723 2.91899 -86.24256 1284.24930
105.0000 -91.47484 -84.52057 6.95426 2.96172 -85.73459 1282.73007
110.0000 -92.17562 -85.58456 6.59105 2.92779 -86.13794 1337.86858
115.0000 -93.65143 -86.70895 6.94248 2.88216 -86.68050 1248.99564
120.0000 -93.36151 -87.05045 6.31106 2.88765 -86.61525 1284.77029
125.0000 -91.09231 -84.12847 6.96384 2.99778 -85.30582 1371.57511
130.0000 -91.92811 -85.32989 6.59822 3.08404 -84.28017 1368.61913
135.0000 -93.03856 -87.06504 5.97353 2.90798 -86.37355 1324.71590
140.0000 -93.59317 -86.25148 7.34169 2.79793 -87.68205 1207.79786
145.0000 -92.30982 -85.97701 6.33281 2.87546 -86.76016 1310.44538
150.0000 -91.69540 -84.43056 7.26484 2.95522 -85.81181 1301.95853
155.0000 -91.95389 -82.96471 8.98918 3.09832 -84.11030 1435.46035
160.0000 -92.94991 -87.23579 5.71412 2.94783 -85.89966 1289.27389
165.0000 -92.66199 -85.24969 7.41230 2.89585 -86.51778 1243.52354
170.0000 -93.79775 -85.54421 8.25354 3.03125 -84.90783 1377.07867
175.0000 -93.52288 -87.43640 6.08648 2.89930 -86.47671 1264.88604
180.0000 -95.39621 -88.48768 6.90853 2.79489 -87.71815 1248.74740
185.0000 -94.61710 -88.48501 6.13209 2.77668 -87.93475 1185.45947
190.0000 -92.92625 -86.14729 6.77896 2.82769 -87.32820 1249.86289
195.0000 -92.64779 -85.02604 7.62175 2.93622 -86.03776 1334.06565
200.0000 -92.30815 -83.87713 8.43102 2.97004 -85.63564 1324.90687
205.0000 -92.57776 -85.07583 7.50193 2.99616 -85.32509 1370.68289
210.0000 -92.61826 -86.78371 5.83455 2.95817 -85.77673 1355.10640
215.0000 -92.27196 -84.96209 7.30987 2.89480 -86.53024 1228.22238
220.0000 -92.14110 -82.99967 9.14143 3.14435 -83.56307 1425.44050
225.0000 -92.60306 -85.46339 7.13967 3.05261 -84.65387 1398.96273
230.0000 -91.26144 -84.60160 6.65984 2.98161 -85.49810 1330.57448
235.0000 -89.89444 -83.34028 6.55416 3.07179 -84.42578 1366.20892
240.0000 -90.16046 -80.92937 9.23109 3.22740 -82.57559 1487.06687
245.0000 -92.90681 -84.66537 8.24144 3.20220 -82.87520 1488.87094
250.0000 -91.71069 -84.72300 6.98769 3.01869 -85.05720 1314.27514
FREEZING PROCESS: loop number 2 T-loop= 1272.0000000000000
main_MD> interactions number 2 at Temperature= 1272.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.32418 -3.39808 1.85108
force_rgl> df(natom) 4.86251 -2.38931 0.25417
255.0000 -92.07592 -86.22180 5.85412 2.97709 -85.55185 1321.51267
260.0000 -92.45863 -85.23277 7.22586 3.02639 -84.96556 1358.44580
265.0000 -93.02895 -87.61289 5.41606 2.86122 -86.92947 1230.26992
270.0000 -94.48524 -86.92411 7.56113 2.77650 -87.93688 1143.55901
275.0000 -92.29787 -84.81167 7.48620 2.95214 -85.84843 1342.96790
280.0000 -92.19656 -85.53851 6.65805 3.03878 -84.81825 1360.19609
285.0000 -93.16604 -87.48784 5.67821 2.87873 -86.72133 1295.44225
290.0000 -93.05587 -86.12291 6.93296 2.84222 -87.15542 1166.02034
295.0000 -92.06735 -85.87954 6.18782 2.93114 -86.09811 1200.55781
300.0000 -93.25733 -85.65489 7.60244 3.02026 -85.03845 1383.65828
305.0000 -92.10079 -85.01707 7.08372 2.95865 -85.77111 1376.38629
310.0000 -92.25053 -86.92995 5.32058 2.92487 -86.17270 1289.54119
315.0000 -92.33108 -84.52364 7.80743 3.02065 -85.03382 1375.55276
320.0000 -92.53316 -84.53245 8.00071 3.03836 -84.82329 1423.49499
325.0000 -91.67908 -83.74230 7.93678 3.07344 -84.40616 1296.02348
330.0000 -92.44736 -85.17958 7.26778 3.04076 -84.79480 1357.32475
335.0000 -93.65422 -86.89314 6.76108 2.93241 -86.08310 1325.42317
340.0000 -92.76879 -85.54769 7.22110 2.94358 -85.95022 1316.10193
345.0000 -92.66060 -86.64096 6.01964 2.94050 -85.98688 1305.22467
350.0000 -94.24234 -86.77391 7.46843 2.89612 -86.51449 1277.88507
355.0000 -93.11136 -86.99772 6.11364 2.85854 -86.96144 1234.14968
360.0000 -94.25820 -86.97919 7.27900 2.81306 -87.50212 1205.69114
365.0000 -93.81224 -86.17287 7.63936 2.88768 -86.61490 1273.57485
370.0000 -92.89773 -85.55464 7.34310 2.97720 -85.55046 1336.67717
375.0000 -91.67694 -84.80735 6.86960 3.14371 -83.57064 1481.51378
380.0000 -91.58974 -84.45575 7.13399 3.07171 -84.42675 1422.36514
385.0000 -92.94770 -86.29423 6.65347 3.00715 -85.19434 1397.53859
390.0000 -93.11823 -86.12588 6.99235 2.96366 -85.71149 1300.10255
395.0000 -94.40049 -86.73814 7.66234 2.85109 -87.04993 1220.72908
400.0000 -93.23217 -86.18987 7.04230 2.90283 -86.43472 1313.05966
405.0000 -92.69850 -86.42421 6.27429 2.86925 -86.83400 1246.92056
410.0000 -92.70163 -86.73221 5.96942 2.89839 -86.48761 1237.89295
415.0000 -92.71246 -87.34159 5.37087 2.86224 -86.91733 1201.84584
420.0000 -93.42793 -85.41042 8.01751 2.88124 -86.69146 1276.18967
425.0000 -92.02627 -85.36068 6.66560 2.92397 -86.18340 1300.55085
430.0000 -93.31677 -86.62554 6.69124 2.99332 -85.35880 1294.79829
435.0000 -93.53600 -85.96351 7.57249 2.95521 -85.81195 1341.02671
440.0000 -93.79905 -85.26774 8.53132 2.93890 -86.00594 1342.54989
445.0000 -93.47504 -85.37487 8.10017 2.98317 -85.47947 1343.37450
450.0000 -94.01224 -88.25737 5.75487 2.93422 -86.06149 1290.15351
455.0000 -93.84437 -87.67575 6.16862 2.80183 -87.63562 1180.56538
460.0000 -92.98008 -86.54082 6.43927 2.83007 -87.29992 1249.43856
465.0000 -92.38588 -85.27177 7.11411 2.95256 -85.84350 1264.30758
470.0000 -91.38785 -84.99289 6.39496 3.03961 -84.80843 1358.48923
475.0000 -93.75216 -86.82203 6.93013 3.01332 -85.12098 1369.41300
480.0000 -92.35163 -85.36938 6.98225 2.96883 -85.65002 1323.75686
485.0000 -92.09147 -84.69917 7.39230 2.95948 -85.76118 1366.26199
490.0000 -93.39484 -84.51486 8.87998 3.09160 -84.19023 1444.44661
495.0000 -93.20421 -86.63148 6.57273 3.00839 -85.17969 1359.48956
500.0000 -93.70958 -87.80272 5.90686 2.84609 -87.10936 1218.68313
FREEZING PROCESS: loop number 3 T-loop= 1247.0000000000000
main_MD> interactions number 3 at Temperature= 1247.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.81761 -0.08046 -2.48314
force_rgl> df(natom) 0.43874 0.30386 -0.84572
505.0000 -95.30657 -89.02164 6.28494 2.74635 -88.29533 1119.79935
510.0000 -93.80023 -86.28141 7.51883 2.74615 -88.29773 1156.48507
515.0000 -93.35645 -87.15431 6.20214 2.88964 -86.59165 1280.52430
520.0000 -94.24390 -87.85661 6.38729 2.89744 -86.49881 1298.11486
525.0000 -94.67009 -87.18187 7.48822 2.86022 -86.94139 1311.72356
530.0000 -94.25107 -88.22365 6.02741 2.78891 -87.78931 1212.93699
535.0000 -92.21400 -85.10441 7.10959 2.94918 -85.88366 1298.07113
540.0000 -93.75495 -86.84571 6.90924 2.87860 -86.72290 1238.47525
545.0000 -94.50547 -87.99870 6.50677 2.86974 -86.82825 1248.92810
550.0000 -94.70626 -87.48435 7.22191 2.75218 -88.22607 1165.52943
555.0000 -93.66205 -86.56063 7.10142 2.84901 -87.07473 1269.33301
560.0000 -93.78472 -86.44509 7.33963 2.80073 -87.64880 1169.85670
565.0000 -92.63646 -86.08179 6.55467 2.97282 -85.60261 1316.36383
570.0000 -93.70894 -87.58469 6.12426 2.96059 -85.74799 1285.46189
575.0000 -93.98322 -87.90099 6.08223 2.83701 -87.21733 1195.01629
580.0000 -93.81970 -85.99209 7.82761 2.79379 -87.73130 1217.30164
585.0000 -93.86033 -88.19659 5.66375 2.86378 -86.89909 1267.75852
590.0000 -94.67893 -89.07357 5.60536 2.67619 -89.12960 1120.19713
595.0000 -95.19642 -87.46985 7.72657 2.75121 -88.23756 1178.73692
600.0000 -92.60398 -85.88498 6.71900 2.92300 -86.19494 1343.88416
605.0000 -93.01011 -87.55327 5.45684 2.88602 -86.63460 1311.01984
610.0000 -93.39940 -87.02532 6.37408 2.89647 -86.51033 1187.93916
615.0000 -93.12472 -85.40351 7.72121 2.94718 -85.90747 1340.69011
620.0000 -95.18720 -88.30600 6.88120 2.87144 -86.80802 1238.09088
625.0000 -92.82861 -86.97913 5.84948 2.77689 -87.93222 1189.42149
630.0000 -93.08668 -85.14793 7.93876 3.00613 -85.20652 1345.16568
635.0000 -93.34240 -86.58139 6.76101 2.94630 -85.91787 1287.70667
640.0000 -92.14107 -85.38571 6.75536 2.94933 -85.88188 1333.12458
645.0000 -91.21803 -82.74607 8.47196 3.11442 -83.91893 1502.09827
650.0000 -92.39932 -85.23563 7.16369 3.09389 -84.16307 1481.19664
655.0000 -93.96486 -87.32267 6.64219 2.90276 -86.43563 1348.66969
660.0000 -93.96343 -87.08512 6.87831 2.84100 -87.16991 1226.11967
665.0000 -92.15946 -84.99610 7.16336 2.90898 -86.36165 1270.75838
670.0000 -91.70265 -85.81845 5.88419 3.04407 -84.75535 1388.12723
675.0000 -95.25246 -88.60348 6.64897 2.82288 -87.38544 1210.60846
680.0000 -92.68660 -86.64541 6.04119 2.73604 -88.41799 1164.81366
685.0000 -92.47258 -86.57465 5.89793 2.91425 -86.29897 1302.22944
690.0000 -94.35529 -87.00067 7.35462 2.86687 -86.86235 1225.78096
695.0000 -93.01371 -85.47265 7.54106 2.95618 -85.80045 1343.21938
700.0000 -93.75360 -87.74738 6.00622 2.84586 -87.11213 1229.65866
705.0000 -92.73046 -86.63301 6.09745 2.84187 -87.15965 1264.61343
710.0000 -93.14389 -85.94005 7.20383 2.89558 -86.52095 1260.70896
715.0000 -91.48754 -85.40577 6.08177 3.02091 -85.03079 1379.90218
720.0000 -91.37142 -83.24488 8.12654 3.04641 -84.72761 1450.36157
725.0000 -91.66765 -84.25981 7.40784 3.10419 -84.04050 1427.31762
730.0000 -92.58101 -85.90250 6.67851 2.93796 -86.01711 1293.03575
735.0000 -93.01783 -87.07231 5.94552 2.91011 -86.34818 1244.31999
740.0000 -94.29775 -87.54706 6.75069 2.74997 -88.25226 1207.69906
745.0000 -92.60378 -85.95339 6.65039 2.91464 -86.29436 1337.35188
750.0000 -92.59981 -86.04792 6.55190 2.93976 -85.99567 1336.13822
FREEZING PROCESS: loop number 4 T-loop= 1222.0000000000000
main_MD> interactions number 4 at Temperature= 1222.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72390 -1.46586 0.45999
force_rgl> df(natom) 1.46992 -2.39177 2.30450
755.0000 -93.78678 -86.87881 6.90797 2.91734 -86.26226 1310.22518
760.0000 -92.60444 -86.73876 5.86568 2.86563 -86.87707 1210.34196
765.0000 -94.27215 -86.74649 7.52567 2.82855 -87.31793 1210.80950
770.0000 -93.63028 -86.66560 6.96467 2.89758 -86.49723 1227.35591
775.0000 -92.34164 -84.98935 7.35229 2.95150 -85.85606 1276.66415
780.0000 -91.99964 -85.74003 6.25961 3.01188 -85.13816 1334.04175
785.0000 -90.70791 -84.81385 5.89406 2.87793 -86.73084 1230.37481
790.0000 -94.20842 -86.36218 7.84623 3.00624 -85.20520 1379.83652
795.0000 -92.75324 -86.79342 5.95982 2.93887 -86.00627 1281.33021
800.0000 -92.67287 -85.97088 6.70199 2.84962 -87.06747 1209.92534
805.0000 -92.07578 -85.45805 6.61773 2.95702 -85.79046 1309.23177
810.0000 -94.00021 -85.34761 8.65259 2.98777 -85.42482 1376.82357
815.0000 -93.03737 -87.28365 5.75372 2.90490 -86.41011 1294.27941
820.0000 -93.87316 -87.00527 6.86789 2.90288 -86.43421 1319.85284
825.0000 -95.05773 -88.73482 6.32291 2.81621 -87.46465 1175.87566
830.0000 -95.55984 -90.43865 5.12119 2.63579 -89.60995 1085.02452
835.0000 -94.67250 -88.15025 6.52225 2.65026 -89.43788 1074.38753
840.0000 -92.98226 -86.53075 6.45151 2.89262 -86.55620 1258.25191
845.0000 -94.06033 -87.52365 6.53668 2.77737 -87.92654 1192.83500
850.0000 -92.36986 -85.19000 7.17986 2.92274 -86.19798 1271.47368
855.0000 -93.92526 -86.88262 7.04264 2.92081 -86.22095 1315.68930
860.0000 -93.15011 -86.30464 6.84547 2.80533 -87.59409 1186.73996
865.0000 -91.39841 -86.03062 5.36779 2.86583 -86.87471 1266.42297
870.0000 -93.14651 -86.74852 6.39799 2.90989 -86.35081 1265.52084
875.0000 -95.22767 -89.16721 6.06046 2.77677 -87.93363 1162.95174
880.0000 -95.32145 -87.94642 7.37503 2.73525 -88.42732 1151.62473
885.0000 -93.46856 -87.05813 6.41043 2.84604 -87.10996 1232.99328
890.0000 -94.87692 -87.78697 7.08995 2.75632 -88.17685 1165.66852
895.0000 -95.63848 -88.77414 6.86434 2.72461 -88.55378 1158.87663
900.0000 -93.99785 -88.31097 5.68688 2.75074 -88.24320 1134.05988
905.0000 -93.90281 -86.75393 7.14888 2.83573 -87.23254 1236.14792
910.0000 -92.91078 -85.32054 7.59024 2.91693 -86.26706 1279.40264
915.0000 -92.31682 -85.12846 7.18835 2.94010 -85.99166 1328.59738
920.0000 -94.18880 -87.23686 6.95195 2.97280 -85.60280 1350.31940
925.0000 -96.32255 -89.09397 7.22858 2.71062 -88.72018 1130.48208
930.0000 -95.77551 -88.90472 6.87080 2.69045 -88.96003 1156.67000
935.0000 -95.72168 -89.02183 6.69986 2.67829 -89.10455 1079.23300
940.0000 -93.32296 -87.45738 5.86558 2.75803 -88.15641 1176.95497
945.0000 -93.76110 -86.87354 6.88756 2.88957 -86.59245 1263.66126
950.0000 -93.13638 -86.48647 6.64991 2.84457 -87.12750 1212.59842
955.0000 -94.12647 -88.16212 5.96435 2.84183 -87.16002 1231.61666
960.0000 -93.04413 -85.29684 7.74729 2.87650 -86.74783 1264.19705
965.0000 -92.87830 -85.37283 7.50548 3.01492 -85.10203 1396.85066
970.0000 -93.39285 -85.64702 7.74583 3.04802 -84.70838 1373.12934
975.0000 -93.01262 -86.38699 6.62563 2.95808 -85.77779 1352.92561
980.0000 -92.76434 -85.13507 7.62927 2.94613 -85.91998 1241.90665
985.0000 -94.73752 -88.82696 5.91056 2.86443 -86.89130 1273.65209
990.0000 -93.32697 -88.04437 5.28260 2.74415 -88.32155 1143.47597
995.0000 -92.90370 -86.66488 6.23882 2.78230 -87.86795 1184.07950
1000.0000 -94.22413 -87.92203 6.30211 2.80779 -87.56475 1189.11943
FREEZING PROCESS: loop number 5 T-loop= 1197.0000000000000
main_MD> interactions number 5 at Temperature= 1197.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95729 2.29332 0.34795
force_rgl> df(natom) 7.23565 -4.73631 -10.29707
1005.0000 -94.82354 -88.09268 6.73086 2.81745 -87.44992 1293.35923
1010.0000 -95.02710 -88.05745 6.96965 2.83005 -87.30011 1218.01881
1015.0000 -95.38583 -89.61105 5.77478 2.62710 -89.71329 1055.05302
1020.0000 -96.16030 -89.00786 7.15244 2.66148 -89.30443 1066.15931
1025.0000 -94.53751 -89.70819 4.82932 2.62686 -89.71615 1057.40659
1030.0000 -96.07719 -88.94961 7.12759 2.71653 -88.64992 1116.48337
1035.0000 -95.07025 -87.81742 7.25282 2.68569 -89.01659 1064.91998
1040.0000 -93.22899 -86.56865 6.66034 2.86552 -86.87841 1286.90893
1045.0000 -94.94888 -87.99753 6.95136 2.81189 -87.51603 1163.71949
1050.0000 -94.24150 -88.60188 5.63962 2.76211 -88.10796 1127.84131
1055.0000 -94.19387 -87.49753 6.69634 2.79889 -87.67066 1216.36482
1060.0000 -94.16689 -88.65642 5.51047 2.79550 -87.71094 1191.38514
1065.0000 -95.46001 -89.67191 5.78810 2.71749 -88.63848 1110.72995
1070.0000 -95.35380 -89.78075 5.57304 2.69152 -88.94728 1059.77798
1075.0000 -94.06203 -88.34463 5.71740 2.63390 -89.63239 1042.66528
1080.0000 -94.50539 -87.90204 6.60335 2.72789 -88.51487 1116.31403
1085.0000 -93.40524 -86.65079 6.75445 2.82465 -87.36437 1183.53617
1090.0000 -94.99894 -87.80176 7.19719 2.83350 -87.25911 1154.83874
1095.0000 -94.03335 -88.09215 5.94120 2.75469 -88.19618 1157.64326
1100.0000 -94.95538 -87.88525 7.07013 2.77697 -87.93128 1170.75459
1105.0000 -93.15401 -86.73614 6.41787 2.84047 -87.17620 1226.45257
1110.0000 -91.63886 -84.39598 7.24288 2.93827 -86.01340 1284.64316
1115.0000 -91.07491 -84.27142 6.80349 3.05915 -84.57611 1316.30737
1120.0000 -90.94956 -84.05367 6.89589 3.08906 -84.22047 1290.99814
1125.0000 -92.84570 -87.44230 5.40340 2.92780 -86.13788 1129.07813
1130.0000 -91.89922 -86.28707 5.61215 2.88550 -86.64083 1117.45392
1135.0000 -90.20972 -83.59778 6.61194 3.03421 -84.87260 1197.45440
1140.0000 -91.81433 -85.84959 5.96474 3.08853 -84.22680 1276.84470
1145.0000 -91.71037 -85.31365 6.39672 2.93922 -86.00204 1151.95605
1150.0000 -91.78969 -86.54903 5.24066 2.93215 -86.08611 1153.99225
1155.0000 -92.20469 -85.21657 6.98812 2.90140 -86.45177 1122.44457
1160.0000 -90.23924 -84.68382 5.55542 3.00709 -85.19508 1210.90114
1165.0000 -90.47241 -83.89134 6.58107 3.02320 -85.00358 1189.52693
1170.0000 -92.33580 -86.90338 5.43242 3.00736 -85.19189 1208.62821
1175.0000 -91.09581 -85.18260 5.91320 2.89640 -86.51125 1085.18755
1180.0000 -92.49383 -85.52729 6.96654 2.98132 -85.50156 1214.72560
1185.0000 -92.93371 -87.27683 5.65688 2.89635 -86.51178 1145.85966
1190.0000 -92.51959 -85.46941 7.05017 2.82664 -87.34068 1094.93467
1195.0000 -92.09560 -86.26040 5.83520 2.89152 -86.56920 1098.67755
1200.0000 -91.04406 -83.92638 7.11767 3.09803 -84.11384 1284.07428
1205.0000 -91.34520 -83.50711 7.83810 3.11528 -83.90872 1322.24462
1210.0000 -90.40887 -82.29433 8.11453 3.14180 -83.59333 1361.79294
1215.0000 -90.59086 -84.67864 5.91223 3.19898 -82.91342 1371.68214
1220.0000 -89.65864 -83.62370 6.03495 3.12003 -83.85216 1275.32878
1225.0000 -89.92891 -83.31219 6.61672 3.11655 -83.89358 1331.41555
1230.0000 -90.69317 -85.15707 5.53610 3.14461 -83.55999 1326.75461
1235.0000 -91.11714 -86.19472 4.92242 2.93558 -86.04539 1115.77086
1240.0000 -92.16965 -85.68631 6.48334 2.97455 -85.58206 1184.68664
1245.0000 -92.07604 -85.65317 6.42287 2.99931 -85.28761 1250.43608
1250.0000 -91.79822 -85.07356 6.72466 2.96964 -85.64041 1203.32804
FREEZING PROCESS: loop number 6 T-loop= 1172.0000000000000
main_MD> interactions number 6 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39076 -0.98685 0.49923
force_rgl> df(natom) -0.69157 -1.13790 0.14307
1255.0000 -92.49061 -85.97584 6.51476 2.98858 -85.41523 1240.08299
1260.0000 -92.25898 -85.66690 6.59208 2.88536 -86.64243 1132.81962
1265.0000 -92.36255 -86.52260 5.83995 2.94088 -85.98239 1223.02776
1270.0000 -91.80953 -85.42158 6.38795 2.90920 -86.35904 1153.49457
1275.0000 -91.65651 -84.37244 7.28407 3.00593 -85.20887 1246.32765
1280.0000 -94.69154 -87.44730 7.24424 2.88579 -86.63743 1163.10090
1285.0000 -89.70380 -83.42815 6.27565 2.95343 -85.83317 1222.57009
1290.0000 -90.56305 -84.59590 5.96716 3.13654 -83.65595 1283.16644
1295.0000 -91.07216 -84.35585 6.71631 3.03399 -84.87525 1242.95895
1300.0000 -91.77200 -85.36976 6.40224 3.07161 -84.42798 1242.96352
1305.0000 -92.82675 -86.07950 6.74725 2.89665 -86.50828 1166.93854
1310.0000 -92.47052 -87.74392 4.72660 2.83544 -87.23605 1048.80706
1315.0000 -92.89182 -86.02937 6.86245 2.92448 -86.17737 1131.50966
1320.0000 -93.77267 -87.25411 6.51856 2.89742 -86.49905 1178.23261
1325.0000 -92.70280 -86.64243 6.06037 2.89347 -86.54611 1145.94425
1330.0000 -92.34085 -85.63781 6.70304 2.89813 -86.49059 1154.51285
1335.0000 -92.02024 -87.01051 5.00974 2.91758 -86.25941 1170.53730
1340.0000 -91.87473 -84.55022 7.32450 2.96173 -85.73447 1135.76919
1345.0000 -91.33163 -86.01697 5.31466 3.09672 -84.12933 1272.50607
1350.0000 -92.80471 -86.67882 6.12589 2.85364 -87.01968 1053.17373
1355.0000 -93.00892 -86.39865 6.61027 2.84599 -87.11059 1090.38943
1360.0000 -93.66091 -88.46669 5.19422 2.84771 -87.09013 1104.90214
1365.0000 -93.58063 -88.92464 4.65599 2.69804 -88.86973 960.08863
1370.0000 -93.18638 -86.87203 6.31434 2.83701 -87.21734 1082.02178
1375.0000 -92.56356 -85.76275 6.80081 2.90122 -86.45392 1103.30480
1380.0000 -94.36789 -88.50818 5.85970 2.81219 -87.51247 1074.85670
1385.0000 -92.35371 -86.49942 5.85429 2.84944 -87.06961 1093.86718
1390.0000 -92.81069 -87.40265 5.40803 2.92449 -86.17728 1141.22452
1395.0000 -92.75934 -87.04911 5.71023 2.96858 -85.65296 1161.69383
1400.0000 -92.54925 -86.62608 5.92317 2.91964 -86.23486 1126.16251
1405.0000 -91.80405 -84.52605 7.27800 2.99453 -85.34444 1196.29471
1410.0000 -91.78098 -84.58571 7.19526 3.08787 -84.23464 1268.20559
1415.0000 -93.25242 -86.79471 6.45771 2.95361 -85.83096 1161.72786
1420.0000 -92.58461 -86.62572 5.95889 2.89107 -86.57462 1116.62276
1425.0000 -92.76957 -87.13403 5.63553 2.81619 -87.46489 987.85246
1430.0000 -91.58838 -85.73760 5.85077 2.91289 -86.31511 1108.76930
1435.0000 -94.63746 -87.16229 7.47517 2.88680 -86.62541 1120.14853
1440.0000 -91.87857 -85.42070 6.45787 2.87146 -86.80779 1100.95319
1445.0000 -91.97291 -85.70363 6.26928 2.97348 -85.59477 1165.09025
1450.0000 -92.19924 -84.25665 7.94259 3.08455 -84.27406 1257.22337
1455.0000 -92.06123 -85.22423 6.83700 2.99702 -85.31481 1207.24398
1460.0000 -91.45134 -84.25977 7.19156 3.09520 -84.14742 1283.43721
1465.0000 -92.42460 -86.13212 6.29248 2.97101 -85.62410 1179.13661
1470.0000 -91.71055 -85.65312 6.05743 2.98380 -85.47207 1234.43493
1475.0000 -91.76761 -85.08658 6.68102 2.96940 -85.64327 1188.78936
1480.0000 -91.28811 -86.02441 5.26370 2.97163 -85.61672 1216.72055
1485.0000 -91.55445 -85.79062 5.76383 2.89772 -86.49556 1117.50010
1490.0000 -90.31261 -85.14097 5.17164 3.00681 -85.19846 1134.91699
1495.0000 -91.00125 -83.74443 7.25682 3.02965 -84.92691 1213.44108
1500.0000 -91.85880 -84.91743 6.94137 3.08535 -84.26451 1301.42442
FREEZING PROCESS: loop number 7 T-loop= 1147.0000000000000
main_MD> interactions number 7 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20503 -0.21001 3.48064
force_rgl> df(natom) 9.85104 -3.50170 0.52281
1505.0000 -91.65121 -84.91569 6.73552 2.97627 -85.56152 1182.74681
1510.0000 -92.10084 -84.63007 7.47076 3.08206 -84.30366 1293.47225
1515.0000 -91.37105 -84.64667 6.72437 3.03717 -84.83746 1269.76104
1520.0000 -90.42296 -83.63289 6.79007 3.01584 -85.09108 1247.63315
1525.0000 -90.51230 -84.21985 6.29245 3.01632 -85.08533 1207.61994
1530.0000 -90.24851 -84.04481 6.20370 3.01866 -85.05753 1163.73619
1535.0000 -94.32859 -87.18724 7.14135 2.98230 -85.48979 1178.92833
1540.0000 -92.76247 -86.09258 6.66989 2.84983 -87.06490 1089.54328
1545.0000 -91.91288 -86.25951 5.65337 2.90240 -86.43992 1156.07070
1550.0000 -91.24055 -85.77709 5.46345 2.97408 -85.58756 1196.54912
1555.0000 -92.73622 -87.00596 5.73026 2.90441 -86.41593 1078.69543
1560.0000 -93.40677 -87.17352 6.23325 2.94657 -85.91465 1242.25288
1565.0000 -92.66809 -86.31691 6.35118 2.87852 -86.72378 1114.19025
1570.0000 -91.97584 -85.57254 6.40329 2.89797 -86.49260 1147.88493
1575.0000 -92.30889 -85.68924 6.61965 2.89215 -86.56174 1114.78797
1580.0000 -91.84091 -84.67747 7.16344 2.92318 -86.19285 1229.48169
1585.0000 -90.84341 -85.15047 5.69294 2.99816 -85.30127 1190.64068
1590.0000 -92.18577 -85.54967 6.63609 3.03573 -84.85460 1235.76641
1595.0000 -91.92441 -86.11789 5.80651 2.99060 -85.39119 1179.65840
1600.0000 -92.55652 -87.01825 5.53827 2.86324 -86.90544 1101.92898
1605.0000 -91.68373 -85.82298 5.86074 2.94017 -85.99078 1162.35741
1610.0000 -92.76930 -86.01014 6.75916 2.89939 -86.47570 1141.41990
1615.0000 -93.04650 -86.55447 6.49203 2.93974 -85.99585 1154.97281
1620.0000 -93.86889 -87.23739 6.63149 2.79849 -87.67539 1015.20560
1625.0000 -91.97864 -87.11285 4.86579 2.90036 -86.46419 1151.78093
1630.0000 -91.81722 -84.39720 7.42002 2.93012 -86.11025 1122.47013
1635.0000 -91.40942 -83.62954 7.77988 3.10740 -84.00242 1335.54099
1640.0000 -91.21723 -86.18448 5.03274 3.04302 -84.76788 1284.44094
1645.0000 -92.11455 -86.55954 5.55501 2.95692 -85.79158 1184.56662
1650.0000 -91.89286 -84.60065 7.29221 2.94861 -85.89042 1173.48293
1655.0000 -91.85538 -84.44344 7.41194 2.99085 -85.38816 1195.28862
1660.0000 -90.60707 -82.87765 7.72942 3.14325 -83.57608 1295.33042
1665.0000 -92.88565 -87.61534 5.27031 2.97666 -85.55692 1173.67077
1670.0000 -91.48596 -86.78397 4.70199 2.77038 -88.00959 1047.73262
1675.0000 -91.98854 -87.67369 4.31485 2.85496 -87.00393 1092.67692
1680.0000 -92.99188 -85.24114 7.75074 2.91645 -86.27280 1186.99234
1685.0000 -91.23291 -84.48943 6.74348 3.03933 -84.81172 1255.02578
1690.0000 -92.38767 -87.09723 5.29044 2.98090 -85.50647 1186.03130
1695.0000 -91.56988 -86.04749 5.52239 2.88890 -86.60042 1110.12255
1700.0000 -92.30450 -86.87936 5.42514 2.88499 -86.64687 1132.12481
1705.0000 -92.85007 -84.89477 7.95530 2.97058 -85.62920 1225.32624
1710.0000 -92.29345 -86.70445 5.58900 2.97444 -85.58326 1129.78547
1715.0000 -91.80802 -86.54408 5.26394 2.86385 -86.89822 1092.70585
1720.0000 -92.90979 -85.10339 7.80640 2.98401 -85.46949 1179.40114
1725.0000 -91.85761 -85.03143 6.82618 3.04978 -84.68755 1258.61256
1730.0000 -90.64453 -83.86957 6.77496 3.11168 -83.95150 1381.62068
1735.0000 -91.80272 -84.99844 6.80428 3.04024 -84.80088 1280.31219
1740.0000 -90.65210 -84.45503 6.19707 3.08374 -84.28370 1238.94297
1745.0000 -92.28074 -86.83973 5.44101 2.93043 -86.10663 1111.82143
1750.0000 -94.20678 -88.14281 6.06397 2.79525 -87.71395 1031.38853
FREEZING PROCESS: loop number 8 T-loop= 1122.0000000000000
main_MD> interactions number 8 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16412 -2.66023 1.14995
force_rgl> df(natom) -0.00708 1.43481 1.44216
1755.0000 -91.28695 -85.20515 6.08181 2.86666 -86.86482 1154.01360
1760.0000 -93.95428 -87.95864 5.99564 2.86789 -86.85016 1098.73852
1765.0000 -93.06980 -87.57637 5.49342 2.80581 -87.58829 1051.83322
1770.0000 -91.90338 -84.40315 7.50023 3.01858 -85.05850 1254.19532
1775.0000 -90.87896 -85.76345 5.11551 3.06295 -84.53095 1257.34532
1780.0000 -92.02564 -86.33170 5.69395 2.99981 -85.28165 1191.87965
1785.0000 -90.85942 -85.54813 5.31129 2.93999 -85.99298 1173.84853
1790.0000 -93.92161 -86.80321 7.11839 2.98858 -85.41517 1185.65144
1795.0000 -91.97429 -87.36786 4.60644 2.86331 -86.90462 1134.20179
1800.0000 -92.63385 -87.18901 5.44484 2.87459 -86.77057 1062.89310
1805.0000 -93.13490 -87.45533 5.67957 2.86079 -86.93463 1065.33278
1810.0000 -93.16429 -87.30000 5.86429 2.87176 -86.80421 1075.55668
1815.0000 -91.81504 -85.73450 6.08054 2.96137 -85.73876 1167.37989
1820.0000 -91.46545 -84.51608 6.94938 3.00351 -85.23763 1203.29512
1825.0000 -91.38510 -84.86525 6.51985 3.10114 -84.07687 1327.45771
1830.0000 -90.50288 -85.19699 5.30589 3.01688 -85.07868 1233.18087
1835.0000 -91.52383 -84.97292 6.55091 2.98563 -85.45024 1142.23402
1840.0000 -92.38600 -86.38974 5.99626 2.95717 -85.78864 1144.97854
1845.0000 -92.77291 -87.91306 4.85985 2.85833 -86.96383 1075.36896
1850.0000 -90.59430 -83.73293 6.86137 2.98206 -85.49273 1274.81675
1855.0000 -92.25520 -86.34809 5.90711 3.04756 -84.71392 1251.51776
1860.0000 -93.74800 -88.89394 4.85406 2.81799 -87.44348 1077.69906
1865.0000 -92.87328 -87.02050 5.85278 2.80680 -87.57659 1027.36684
1870.0000 -91.49560 -85.64224 5.85336 2.87445 -86.77215 1137.24232
1875.0000 -94.37314 -87.11129 7.26184 2.92906 -86.12291 1214.53015
1880.0000 -92.07798 -87.05233 5.02564 2.81311 -87.50161 1095.01583
1885.0000 -93.31941 -86.38355 6.93586 2.91387 -86.30352 1103.18497
1890.0000 -93.89532 -88.03385 5.86147 2.87826 -86.72694 1112.86841
1895.0000 -91.45195 -84.82202 6.62994 2.89917 -86.47834 1115.83374
1900.0000 -91.17156 -85.70461 5.46696 3.01634 -85.08509 1236.80177
1905.0000 -92.94638 -86.58269 6.36369 2.99610 -85.32580 1193.32509
1910.0000 -93.10004 -87.54367 5.55637 2.88077 -86.69706 1082.97841
1915.0000 -92.86134 -86.05377 6.80758 2.87948 -86.71236 1120.49698
1920.0000 -90.97621 -84.98413 5.99208 2.98907 -85.40937 1227.09800
1925.0000 -93.41599 -88.20808 5.20791 2.88017 -86.70414 1079.91298
1930.0000 -93.56718 -88.98542 4.58176 2.79187 -87.75410 1034.31910
1935.0000 -94.09207 -88.47944 5.61263 2.68177 -89.06316 912.20666
1940.0000 -94.12954 -88.36466 5.76489 2.68975 -88.96837 988.44814
1945.0000 -93.99760 -86.84310 7.15449 2.82559 -87.35312 1044.98223
1950.0000 -93.11367 -86.61057 6.50310 2.86679 -86.86331 1111.38298
1955.0000 -92.31153 -86.83743 5.47410 2.90344 -86.42747 1130.90821
1960.0000 -93.06454 -86.35306 6.71147 2.82671 -87.33979 1051.67122
1965.0000 -92.75457 -86.92308 5.83149 2.91059 -86.34246 1189.14622
1970.0000 -92.10726 -86.06050 6.04676 2.84008 -87.18089 1093.11369
1975.0000 -93.08934 -86.16784 6.92151 2.91381 -86.30419 1137.83273
1980.0000 -90.56752 -82.68708 7.88044 3.03600 -84.85140 1231.81322
1985.0000 -90.69548 -84.97674 5.71874 3.12411 -83.80369 1278.01862
1990.0000 -93.19946 -87.81001 5.38945 2.89005 -86.58674 1150.11690
1995.0000 -93.05329 -86.91604 6.13724 2.78081 -87.88562 995.42441
2000.0000 -92.75109 -86.14890 6.60219 2.87832 -86.72615 1101.14515
FREEZING PROCESS: loop number 9 T-loop= 1097.0000000000000
main_MD> interactions number 9 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26769 -1.11276 -1.39924
force_rgl> df(natom) 1.48593 0.22624 2.00742
2005.0000 -91.99563 -86.36078 5.63485 2.92017 -86.22853 1197.99666
2010.0000 -91.75222 -84.99773 6.75449 3.04611 -84.73116 1239.24989
2015.0000 -94.44480 -88.13820 6.30660 2.91217 -86.32373 1135.62131
2020.0000 -92.83930 -87.86026 4.97904 2.72729 -88.52201 1041.58231
2025.0000 -92.90920 -87.50789 5.40131 2.80427 -87.60662 1049.06620
2030.0000 -91.75170 -86.19866 5.55305 2.87060 -86.81802 1146.19028
2035.0000 -91.10200 -85.30464 5.79736 3.00141 -85.26268 1198.75214
2040.0000 -92.67724 -86.35014 6.32710 2.97989 -85.51854 1186.82676
2045.0000 -93.34858 -89.05691 4.29167 2.78536 -87.83150 1001.92668
2050.0000 -92.27477 -86.42942 5.84536 2.85924 -86.95312 1065.85651
2055.0000 -92.60585 -86.38747 6.21838 2.91013 -86.34799 1106.32351
2060.0000 -92.88757 -86.10788 6.77969 2.89272 -86.55495 1089.96481
2065.0000 -92.16286 -86.28970 5.87315 2.88939 -86.59457 1095.79256
2070.0000 -93.87001 -87.08151 6.78850 2.86496 -86.88504 1078.94471
2075.0000 -92.23327 -86.74114 5.49213 2.91376 -86.30484 1174.47958
2080.0000 -91.47969 -85.64543 5.83426 2.89631 -86.51233 1089.73406
2085.0000 -92.98389 -87.23465 5.74924 2.92680 -86.14972 1179.74309
2090.0000 -90.97170 -84.14748 6.82422 2.89652 -86.50976 1076.17871
2095.0000 -92.01080 -85.59776 6.41303 3.10587 -84.02056 1327.28440
2100.0000 -91.86370 -87.24322 4.62048 2.87459 -86.77050 1101.62995
2105.0000 -92.43888 -86.21652 6.22236 2.92889 -86.12489 1143.41464
2110.0000 -91.41012 -85.46189 5.94823 2.95830 -85.77525 1155.23209
2115.0000 -93.51984 -86.61615 6.90369 2.88226 -86.67939 1080.17048
2120.0000 -92.88909 -87.25184 5.63725 2.87807 -86.72915 1105.24507
2125.0000 -91.86077 -84.35068 7.51008 2.90867 -86.36529 1163.76505
2130.0000 -93.25415 -87.80647 5.44768 2.88325 -86.66755 1160.60019
2135.0000 -93.20401 -87.01127 6.19274 2.74514 -88.30975 994.47653
2140.0000 -92.27150 -86.10422 6.16728 2.83341 -87.26013 1073.30890
2145.0000 -93.84192 -89.82683 4.01509 2.72937 -88.49727 963.37542
2150.0000 -93.46169 -87.60085 5.86084 2.68096 -89.07286 939.46976
2155.0000 -94.26086 -87.61410 6.64676 2.79552 -87.71066 1047.85426
2160.0000 -91.92190 -86.65355 5.26835 2.85944 -86.95071 1091.71407
2165.0000 -91.78998 -86.08597 5.70401 2.97395 -85.58918 1164.42899
2170.0000 -91.81583 -84.37267 7.44317 2.97376 -85.59143 1189.87730
2175.0000 -91.06701 -84.80425 6.26276 3.03454 -84.86865 1246.48467
2180.0000 -93.31347 -86.39265 6.92082 2.94820 -85.89534 1158.21868
2185.0000 -93.14727 -87.08812 6.05914 2.86021 -86.94149 1094.65542
2190.0000 -92.06481 -86.43298 5.63183 2.90163 -86.44909 1091.58851
2195.0000 -92.73818 -86.71529 6.02289 2.85219 -87.03684 1024.94647
2200.0000 -93.67631 -87.23324 6.44308 2.82981 -87.30300 1065.65016
2205.0000 -92.80010 -87.71053 5.08957 2.77857 -87.91226 1027.41120
2210.0000 -92.63865 -87.25035 5.38830 2.84805 -87.08608 1073.31872
2215.0000 -92.71845 -86.66523 6.05322 2.83801 -87.20547 1080.16263
2220.0000 -92.71858 -85.76204 6.95654 2.84576 -87.11332 1106.39997
2225.0000 -93.68779 -87.50889 6.17890 2.89293 -86.55252 1177.04185
2230.0000 -93.40232 -88.24384 5.15848 2.80479 -87.60050 1061.92359
2235.0000 -92.09940 -87.41663 4.68277 2.77975 -87.89822 1012.92073
2240.0000 -93.00672 -88.02575 4.98097 2.79763 -87.68561 1046.21995
2245.0000 -93.90152 -87.05180 6.84972 2.78612 -87.82251 1026.29434
2250.0000 -92.97527 -88.39932 4.57595 2.74381 -88.32560 1004.30786
FREEZING PROCESS: loop number 10 T-loop= 1072.0000000000000
main_MD> interactions number 10 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -9.24563 1.23388 0.63385
force_rgl> df(natom) -2.33870 -0.72002 0.26844
2255.0000 -92.31569 -88.34140 3.97430 2.80989 -87.53983 1015.10675
2260.0000 -92.78081 -87.65625 5.12456 2.76206 -88.10851 1031.13264
2265.0000 -93.76119 -85.56215 8.19904 2.88310 -86.66933 1131.21465
2270.0000 -92.32504 -87.23558 5.08947 2.88171 -86.68590 1119.76107
2275.0000 -92.99424 -88.13189 4.86235 2.83891 -87.19478 1050.40956
2280.0000 -92.36863 -86.59577 5.77286 2.78627 -87.82064 1014.07112
2285.0000 -93.26471 -87.07052 6.19418 2.88231 -86.67878 1106.41091
2290.0000 -93.31251 -86.11129 7.20122 2.87945 -86.71274 1145.30478
2295.0000 -92.10923 -87.22722 4.88201 2.82683 -87.33846 1037.59320
2300.0000 -92.95787 -87.64586 5.31202 2.78649 -87.81807 1054.00356
2305.0000 -92.90666 -87.11679 5.78987 2.76372 -88.08877 1051.13655
2310.0000 -92.09252 -87.46260 4.62992 2.74648 -88.29385 964.85133
2315.0000 -92.11604 -86.69676 5.41928 2.83406 -87.25246 1078.50346
2320.0000 -93.51371 -87.92354 5.59016 2.82929 -87.30920 1054.82951
2325.0000 -93.51669 -88.41393 5.10276 2.75643 -88.17547 1021.00742
2330.0000 -92.83434 -88.19151 4.64282 2.81313 -87.50131 1080.50031
2335.0000 -92.46204 -86.75412 5.70792 2.78413 -87.84618 1012.29573
2340.0000 -92.68955 -86.82064 5.86891 2.81209 -87.51366 1073.05881
2345.0000 -93.56566 -88.04196 5.52370 2.78367 -87.85157 1003.80223
2350.0000 -92.91299 -87.02437 5.88863 2.92050 -86.22469 1145.42637
2355.0000 -93.37580 -87.85729 5.51851 2.82493 -87.36097 1087.29545
2360.0000 -93.49930 -86.88624 6.61306 2.86853 -86.84265 1152.27460
2365.0000 -94.24380 -89.13718 5.10662 2.73289 -88.45533 1007.26320
2370.0000 -93.24176 -87.69876 5.54300 2.71768 -88.63623 992.56131
2375.0000 -94.48757 -87.83729 6.65028 2.73173 -88.46917 984.59570
2380.0000 -92.33716 -87.93990 4.39727 2.79547 -87.71127 1035.43965
2385.0000 -93.57925 -87.89041 5.68884 2.82541 -87.35530 1016.50985
2390.0000 -95.54532 -89.64756 5.89776 2.72318 -88.57086 998.74541
2395.0000 -94.07120 -88.46097 5.61024 2.64042 -89.55485 902.92036
2400.0000 -92.69034 -88.25112 4.43921 2.70509 -88.78599 943.45595
2405.0000 -93.01620 -86.97193 6.04426 2.72781 -88.51573 957.39055
2410.0000 -93.45758 -88.89417 4.56340 2.79761 -87.68589 1052.25592
2415.0000 -93.52671 -88.98406 4.54265 2.67594 -89.13253 1012.47900
2420.0000 -93.73958 -87.72783 6.01175 2.75507 -88.19168 995.47886
2425.0000 -93.29088 -88.20403 5.08685 2.74825 -88.27273 987.54911
2430.0000 -92.72795 -87.50635 5.22160 2.74504 -88.31090 1006.66342
2435.0000 -93.25766 -87.81524 5.44243 2.76546 -88.06815 1030.13480
2440.0000 -91.70917 -85.46165 6.24752 2.98166 -85.49747 1170.80100
2445.0000 -92.17308 -86.83599 5.33709 2.92182 -86.20893 1124.43907
2450.0000 -93.23341 -87.54060 5.69281 2.81782 -87.44556 1045.28305
2455.0000 -91.22826 -86.74203 4.48623 2.79761 -87.68581 1053.88270
2460.0000 -91.90103 -85.59187 6.30915 2.96683 -85.67383 1164.57704
2465.0000 -90.98418 -84.50139 6.48279 2.99671 -85.31845 1203.65672
2470.0000 -93.86085 -86.87415 6.98670 2.89452 -86.53353 1143.22795
2475.0000 -92.52733 -85.69539 6.83195 2.86071 -86.93560 1160.15969
2480.0000 -92.29949 -87.06098 5.23851 2.87994 -86.70690 1149.10282
2485.0000 -92.05905 -85.25138 6.80767 2.92893 -86.12443 1152.31087
2490.0000 -92.04783 -85.74127 6.30656 3.02416 -84.99209 1249.70794
2495.0000 -92.79113 -86.56355 6.22757 2.93117 -86.09777 1168.24186
2500.0000 -91.81490 -87.15376 4.66113 2.85219 -87.03687 1096.22862
FREEZING PROCESS: loop number 11 T-loop= 1047.0000000000000
main_MD> interactions number 11 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.78328 -0.87589 0.72792
force_rgl> df(natom) 1.08709 -2.56709 2.89365
2505.0000 -94.71528 -89.71503 5.00025 2.69247 -88.93598 989.68776
2510.0000 -93.39818 -87.84104 5.55714 2.71048 -88.72182 967.29323
2515.0000 -92.01735 -86.35917 5.65818 2.84195 -87.15858 1073.37068
2520.0000 -93.31721 -87.21610 6.10111 2.90272 -86.43609 1098.83364
2525.0000 -94.25782 -88.82067 5.43715 2.75711 -88.16742 1016.54840
2530.0000 -95.81823 -91.21589 4.60234 2.60028 -90.03212 886.81174
2535.0000 -94.84132 -89.71555 5.12577 2.54140 -90.73219 859.81988
2540.0000 -94.68087 -89.43219 5.24868 2.69712 -88.88069 992.36379
2545.0000 -91.97045 -85.21229 6.75816 2.79368 -87.73253 1044.79559
2550.0000 -93.17893 -87.65685 5.52208 2.83800 -87.20564 1087.37847
2555.0000 -93.61589 -89.52199 4.09390 2.77389 -87.96787 1042.64500
2560.0000 -93.48086 -87.23649 6.24437 2.76677 -88.05256 1028.67908
2565.0000 -90.86392 -84.50442 6.35949 2.91559 -86.28303 1154.79776
2570.0000 -92.73634 -86.88555 5.85080 2.97676 -85.55570 1175.74725
2575.0000 -92.84167 -86.13833 6.70333 2.90873 -86.36456 1137.04972
2580.0000 -90.49309 -85.05409 5.43900 2.89444 -86.53449 1139.34497
2585.0000 -91.81724 -85.14172 6.67552 2.99266 -85.36664 1216.59378
2590.0000 -93.91661 -86.87782 7.03879 2.90096 -86.45696 1108.37475
2595.0000 -93.04495 -87.58996 5.45499 2.79543 -87.71172 1022.44932
2600.0000 -93.15721 -87.58206 5.57515 2.77354 -87.97209 1020.21086
2605.0000 -91.63892 -86.42329 5.21563 2.92013 -86.22910 1157.25778
2610.0000 -93.08182 -87.17060 5.91122 2.85934 -86.95182 1116.22532
2615.0000 -95.07090 -88.44409 6.62681 2.79169 -87.75619 1042.83766
2620.0000 -92.68923 -86.67673 6.01250 2.84921 -87.07229 1099.42114
2625.0000 -95.16353 -88.95222 6.21131 2.76002 -88.13285 1040.85005
2630.0000 -92.74535 -87.65702 5.08833 2.69059 -88.95836 974.46431
2635.0000 -92.47699 -87.21011 5.26688 2.76568 -88.06549 1021.67554
2640.0000 -92.84119 -88.53917 4.30203 2.72766 -88.51760 967.19953
2645.0000 -92.46683 -87.00895 5.45788 2.82262 -87.38853 1041.52570
2650.0000 -92.07056 -86.49164 5.57892 2.85024 -87.06005 1097.74080
2655.0000 -93.56995 -88.61802 4.95193 2.91305 -86.31324 1162.53896
2660.0000 -93.52458 -88.53963 4.98494 2.75925 -88.14192 960.85144
2665.0000 -93.14764 -87.98974 5.15790 2.74294 -88.33586 945.71634
2670.0000 -94.25422 -87.71362 6.54060 2.75940 -88.14016 979.58938
2675.0000 -94.02772 -87.80797 6.21975 2.72673 -88.52862 990.31288
2680.0000 -92.57924 -86.28951 6.28973 2.84595 -87.11106 1070.63880
2685.0000 -92.89237 -85.20367 7.68869 2.91109 -86.33654 1115.81719
2690.0000 -92.44246 -85.90173 6.54073 2.96016 -85.75314 1206.51082
2695.0000 -93.55074 -87.70677 5.84397 2.85282 -87.02936 1057.72995
2700.0000 -92.41235 -86.41607 5.99628 2.84042 -87.17686 1090.56417
2705.0000 -92.48074 -87.27111 5.20962 2.91261 -86.31852 1148.31720
2710.0000 -93.36176 -87.98462 5.37714 2.81730 -87.45171 991.39525
2715.0000 -91.72951 -86.75249 4.97702 2.85478 -87.00613 1039.08837
2720.0000 -92.84771 -87.85600 4.99171 2.84153 -87.16365 1035.51237
2725.0000 -92.86114 -87.15400 5.70714 2.84806 -87.08599 1090.10928
2730.0000 -92.53311 -85.66463 6.86848 2.92499 -86.17128 1166.52512
2735.0000 -92.11927 -85.18555 6.93373 2.98011 -85.51591 1206.61739
2740.0000 -91.77856 -86.00095 5.77762 2.93762 -86.02107 1133.16991
2745.0000 -93.93637 -89.19475 4.74162 2.85262 -87.03179 1130.30830
2750.0000 -92.95203 -85.90355 7.04848 2.79739 -87.68845 1040.93078
FREEZING PROCESS: loop number 12 T-loop= 1022.0000000000000
main_MD> interactions number 12 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65596 1.61875 3.32398
force_rgl> df(natom) 1.26092 1.58576 2.11261
2755.0000 -93.26679 -88.20585 5.06094 2.85284 -87.02912 1067.53591
2760.0000 -93.17052 -87.91689 5.25363 2.75423 -88.20163 1018.87058
2765.0000 -94.58378 -87.89309 6.69069 2.80645 -87.58073 1080.40606
2770.0000 -92.16467 -86.76290 5.40177 2.77268 -87.98222 1060.95505
2775.0000 -93.85816 -87.16791 6.69025 2.86292 -86.90926 1110.98427
2780.0000 -94.10034 -88.75354 5.34679 2.77132 -87.99850 1013.24527
2785.0000 -93.82841 -88.64103 5.18738 2.72128 -88.59344 984.07906
2790.0000 -92.71256 -87.24806 5.46450 2.74388 -88.32475 1036.90271
2795.0000 -93.59728 -87.39116 6.20612 2.77561 -87.94739 1024.45168
2800.0000 -92.67874 -87.62715 5.05159 2.82423 -87.36932 1077.93739
2805.0000 -93.98964 -87.95602 6.03362 2.85335 -87.02314 1094.85267
2810.0000 -93.32870 -88.85913 4.46956 2.72506 -88.54845 970.32482
2815.0000 -94.08683 -89.84147 4.24537 2.69053 -88.95907 938.35657
2820.0000 -94.36997 -89.91819 4.45178 2.64145 -89.54262 955.41527
2825.0000 -94.00375 -88.86300 5.14075 2.63193 -89.65586 943.45281
2830.0000 -94.38869 -89.27987 5.10883 2.67116 -89.18937 956.11036
2835.0000 -93.90761 -89.80263 4.10498 2.64050 -89.55390 925.88245
2840.0000 -93.06524 -88.48916 4.57607 2.67100 -89.19125 934.39656
2845.0000 -94.14469 -88.65865 5.48603 2.72374 -88.56417 992.87910
2850.0000 -95.32408 -90.71226 4.61181 2.66863 -89.21944 941.01375
2855.0000 -92.56201 -87.98028 4.58174 2.69993 -88.84723 939.79493
2860.0000 -93.04401 -88.75125 4.29276 2.81866 -87.43557 1015.59560
2865.0000 -93.36815 -88.31952 5.04863 2.73657 -88.41164 968.30181
2870.0000 -92.64852 -87.35841 5.29011 2.79293 -87.74153 1027.02426
2875.0000 -92.16306 -85.77041 6.39265 2.90574 -86.40021 1049.95809
2880.0000 -93.44286 -86.66877 6.77409 2.89190 -86.56472 1084.44044
2885.0000 -93.71515 -87.73978 5.97537 2.86166 -86.92425 1017.94649
2890.0000 -93.80675 -87.82605 5.98071 2.77743 -87.92581 1050.95929
2895.0000 -92.40073 -86.88552 5.51522 2.80896 -87.55094 1028.86012
2900.0000 -93.83544 -88.00001 5.83543 2.81753 -87.44901 1091.50900
2905.0000 -93.30440 -88.58909 4.71531 2.73369 -88.44590 985.25590
2910.0000 -92.93069 -87.59476 5.33593 2.75169 -88.23190 972.74597
2915.0000 -92.88101 -87.87885 5.00217 2.74782 -88.27790 982.11918
2920.0000 -93.68748 -87.42172 6.26577 2.78790 -87.80129 1042.99881
2925.0000 -94.03971 -88.52184 5.51787 2.73921 -88.38023 994.21260
2930.0000 -93.07292 -86.67200 6.40091 2.77729 -87.92743 1021.23009
2935.0000 -94.23803 -88.58525 5.65278 2.76111 -88.11979 1037.44291
2940.0000 -91.65306 -86.57157 5.08149 2.78423 -87.84500 1065.96635
2945.0000 -94.15448 -88.69979 5.45469 2.81552 -87.47288 1053.76916
2950.0000 -94.64921 -89.16477 5.48444 2.64242 -89.53113 912.73444
2955.0000 -93.12881 -88.45861 4.67020 2.67321 -89.16496 956.84216
2960.0000 -94.64145 -88.55725 6.08421 2.68473 -89.02805 952.43470
2965.0000 -95.08453 -90.23331 4.85122 2.69211 -88.94024 947.06969
2970.0000 -93.93797 -88.79305 5.14491 2.66672 -89.24217 921.57546
2975.0000 -92.37353 -87.95461 4.41893 2.73922 -88.38011 976.11813
2980.0000 -92.00924 -86.66154 5.34769 2.78823 -87.79744 990.31135
2985.0000 -93.70242 -87.87436 5.82806 2.82771 -87.32798 1033.77105
2990.0000 -94.41809 -88.82360 5.59449 2.71623 -88.65345 980.92658
2995.0000 -93.77092 -89.03398 4.73694 2.72702 -88.52518 970.98080
3000.0000 -92.62609 -86.86069 5.76540 2.81124 -87.52378 1080.19984
FREEZING PROCESS: loop number 13 T-loop= 997.00000000000000
main_MD> interactions number 13 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68011 -0.15529 2.65430
force_rgl> df(natom) -2.98573 2.88874 1.81937
3005.0000 -93.84797 -88.27121 5.57676 2.75974 -88.13611 1047.18225
3010.0000 -94.34620 -87.79504 6.55116 2.79927 -87.66615 1020.51107
3015.0000 -92.72185 -87.59403 5.12782 2.84059 -87.17479 1082.00154
3020.0000 -95.32869 -89.45093 5.87776 2.73761 -88.39927 1000.66774
3025.0000 -94.46520 -89.24963 5.21557 2.64059 -89.55288 901.00394
3030.0000 -94.04935 -88.91340 5.13595 2.70699 -88.76337 987.89872
3035.0000 -93.46472 -88.77005 4.69467 2.74050 -88.36494 981.06305
3040.0000 -93.86100 -88.49089 5.37012 2.67373 -89.15884 918.25107
3045.0000 -93.46821 -86.74556 6.72264 2.82125 -87.40478 1059.16946
3050.0000 -92.15745 -87.21853 4.93892 2.82672 -87.33971 1067.79533
3055.0000 -91.75417 -86.50560 5.24857 2.88209 -86.68132 1112.47358
3060.0000 -93.71983 -87.48095 6.23888 2.83608 -87.22849 1070.68330
3065.0000 -94.18042 -89.15153 5.02888 2.76703 -88.04948 1018.11798
3070.0000 -92.67055 -87.36616 5.30439 2.73349 -88.44822 997.36690
3075.0000 -92.88516 -88.01154 4.87362 2.80889 -87.55178 982.53651
3080.0000 -94.24081 -89.07367 5.16714 2.76337 -88.09296 984.44092
3085.0000 -94.82562 -90.19809 4.62753 2.66961 -89.20775 927.77456
3090.0000 -92.71273 -87.72235 4.99039 2.66351 -89.28035 907.57913
3095.0000 -93.70288 -88.35542 5.34746 2.75277 -88.21898 994.72955
3100.0000 -94.57695 -89.58205 4.99490 2.70601 -88.77498 956.90540
3105.0000 -94.24402 -89.30203 4.94199 2.71236 -88.69954 1024.66915
3110.0000 -92.44515 -86.85232 5.59283 2.74094 -88.35965 1051.39139
3115.0000 -91.79368 -85.95916 5.83452 2.87220 -86.79894 1136.90626
3120.0000 -92.45051 -87.54841 4.90210 2.81254 -87.50828 1034.48599
3125.0000 -93.97186 -89.64723 4.32463 2.72348 -88.56726 986.01323
3130.0000 -93.56915 -88.61233 4.95682 2.66583 -89.25278 873.24065
3135.0000 -93.78972 -88.01284 5.77688 2.78961 -87.78099 1048.28303
3140.0000 -94.06505 -88.60787 5.45718 2.77228 -87.98709 1036.84733
3145.0000 -94.60359 -89.74292 4.86067 2.68734 -88.99694 949.23516
3150.0000 -94.05178 -88.80568 5.24611 2.62918 -89.68855 919.28043
3155.0000 -94.30747 -89.20543 5.10203 2.71808 -88.63153 969.48899
3160.0000 -93.12836 -88.15852 4.96984 2.72749 -88.51962 970.04859
3165.0000 -93.79780 -89.03153 4.76627 2.67232 -89.17552 921.97536
3170.0000 -94.02462 -89.35187 4.67276 2.66635 -89.24655 941.61756
3175.0000 -93.92622 -88.06880 5.85742 2.75964 -88.13731 976.81929
3180.0000 -93.06569 -87.34844 5.71725 2.78700 -87.81202 1041.06320
3185.0000 -93.73602 -87.98469 5.75133 2.86242 -86.91528 1127.03508
3190.0000 -93.15185 -88.25588 4.89597 2.78293 -87.86037 1051.73815
3195.0000 -91.16769 -85.99899 5.16870 2.80891 -87.55147 1005.35846
3200.0000 -92.07796 -86.32053 5.75742 2.95764 -85.78305 1145.66824
3205.0000 -93.85724 -88.70774 5.14950 2.76892 -88.02695 1022.89392
3210.0000 -94.06810 -88.67662 5.39148 2.64859 -89.45768 905.69881
3215.0000 -93.93446 -88.93867 4.99579 2.77293 -87.97926 1087.20635
3220.0000 -94.41975 -88.73903 5.68072 2.75940 -88.14018 1020.00702
3225.0000 -93.90273 -88.60609 5.29664 2.72239 -88.58018 957.94758
3230.0000 -93.49369 -88.21894 5.27475 2.78151 -87.87728 1025.78561
3235.0000 -93.65774 -88.38909 5.26865 2.77147 -87.99663 1032.44854
3240.0000 -93.21328 -88.03549 5.17779 2.75281 -88.21851 996.29751
3245.0000 -94.08358 -89.21207 4.87151 2.68826 -88.98601 957.56997
3250.0000 -94.86546 -89.77292 5.09254 2.64720 -89.47428 909.27417
FREEZING PROCESS: loop number 14 T-loop= 972.00000000000000
main_MD> interactions number 14 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39811 1.24535 -1.44119
force_rgl> df(natom) 2.57001 -3.64461 3.61999
3255.0000 -94.14488 -89.42962 4.71526 2.64844 -89.45948 876.86826
3260.0000 -93.71206 -89.26653 4.44553 2.66975 -89.20619 967.70147
3265.0000 -92.83862 -88.99485 3.84376 2.75068 -88.24383 943.34017
3270.0000 -94.89854 -88.70718 6.19136 2.66194 -89.29903 916.53228
3275.0000 -93.98101 -88.36395 5.61706 2.70713 -88.76166 998.02853
3280.0000 -93.18594 -87.82246 5.36347 2.77909 -87.90600 1023.55489
3285.0000 -94.35772 -88.57146 5.78626 2.76248 -88.10350 1037.57220
3290.0000 -94.91453 -88.93695 5.97758 2.72380 -88.56342 1021.65928
3295.0000 -93.60841 -88.61907 4.98934 2.71458 -88.67309 1011.61929
3300.0000 -94.73447 -89.47179 5.26268 2.72024 -88.60585 992.90476
3305.0000 -94.28521 -87.94659 6.33862 2.66728 -89.23553 965.97650
3310.0000 -93.95477 -89.48997 4.46480 2.66572 -89.25400 915.40348
3315.0000 -95.08215 -90.83947 4.24269 2.57845 -90.29169 856.73856
3320.0000 -95.07643 -89.81348 5.26295 2.57973 -90.27644 861.01386
3325.0000 -94.96991 -89.55726 5.41265 2.59237 -90.12620 928.45207
3330.0000 -94.76213 -90.26969 4.49244 2.59041 -90.14952 950.77867
3335.0000 -95.65775 -90.63976 5.01800 2.55810 -90.53370 858.27167
3340.0000 -93.67845 -88.20768 5.47077 2.65809 -89.34480 910.90329
3345.0000 -94.32602 -89.15825 5.16778 2.72661 -88.53009 1001.34935
3350.0000 -95.02450 -89.73457 5.28993 2.62845 -89.69717 899.57106
3355.0000 -93.71713 -88.71852 4.99861 2.70122 -88.83189 959.58922
3360.0000 -92.90523 -88.37211 4.53312 2.69498 -88.90613 933.24320
3365.0000 -94.34823 -89.01432 5.33391 2.71778 -88.63500 987.54646
3370.0000 -93.61542 -88.12003 5.49539 2.75434 -88.20029 1031.49215
3375.0000 -93.56447 -89.35420 4.21027 2.72845 -88.50816 957.56871
3380.0000 -93.64348 -89.17704 4.46645 2.64543 -89.49536 928.68624
3385.0000 -93.54054 -88.02822 5.51232 2.66727 -89.23562 933.67589
3390.0000 -92.50668 -85.94222 6.56446 2.80035 -87.65321 1007.63941
3395.0000 -92.70076 -88.12155 4.57921 2.94946 -85.88028 1204.69822
3400.0000 -93.53368 -88.00020 5.53348 2.78111 -87.88203 997.24925
3405.0000 -92.75868 -87.32957 5.42912 2.81133 -87.52274 1043.46249
3410.0000 -92.43937 -86.46777 5.97160 2.84970 -87.06644 1085.80422
3415.0000 -93.12365 -88.21427 4.90938 2.79939 -87.66472 1046.06584
3420.0000 -95.06587 -89.50170 5.56417 2.70736 -88.75895 970.52571
3425.0000 -95.16164 -89.84410 5.31755 2.64875 -89.45581 950.39889
3430.0000 -94.08283 -88.36138 5.72145 2.67123 -89.18854 927.56499
3435.0000 -94.29019 -88.34184 5.94834 2.77375 -87.96958 1023.65771
3440.0000 -94.03903 -89.48613 4.55290 2.68761 -88.99377 938.59898
3445.0000 -92.59060 -87.05975 5.53086 2.75733 -88.16476 1023.11673
3450.0000 -92.90339 -87.09392 5.80946 2.79087 -87.76603 1019.62690
3455.0000 -94.24241 -88.43533 5.80708 2.78551 -87.82976 1066.51276
3460.0000 -94.81171 -90.43365 4.37806 2.67682 -89.12204 919.85516
3465.0000 -94.31299 -90.05072 4.26227 2.56242 -90.48231 848.12090
3470.0000 -95.61053 -91.33929 4.27124 2.56728 -90.42454 847.71980
3475.0000 -94.78625 -90.63563 4.15062 2.45313 -91.78178 724.46641
3480.0000 -93.10202 -88.15669 4.94532 2.64493 -89.50121 911.27458
3485.0000 -93.75085 -89.65968 4.09117 2.70672 -88.76661 921.66314
3490.0000 -94.12900 -89.89729 4.23171 2.61890 -89.81079 892.81487
3495.0000 -93.43607 -87.33146 6.10462 2.74082 -88.36114 1003.70381
3500.0000 -94.74029 -89.25324 5.48705 2.72190 -88.58601 988.87722
FREEZING PROCESS: loop number 15 T-loop= 947.00000000000000
main_MD> interactions number 15 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.95680 -0.50365 1.17805
force_rgl> df(natom) 2.38571 4.61266 -3.18196
3505.0000 -95.10747 -89.35785 5.74962 2.63109 -89.66586 917.87437
3510.0000 -95.13004 -90.25257 4.87747 2.64766 -89.46875 919.71424
3515.0000 -94.50285 -89.92958 4.57328 2.59388 -90.10824 874.25245
3520.0000 -95.47325 -90.86012 4.61313 2.55810 -90.53370 876.34975
3525.0000 -95.54363 -91.10825 4.43538 2.54791 -90.65485 839.38749
3530.0000 -94.07624 -89.17630 4.89994 2.62725 -89.71152 923.71091
3535.0000 -94.26464 -88.69247 5.57217 2.64480 -89.50279 905.54173
3540.0000 -93.98476 -89.89328 4.09148 2.63873 -89.57497 927.57116
3545.0000 -93.90251 -89.79847 4.10404 2.66967 -89.20713 914.27465
3550.0000 -93.91967 -89.14306 4.77661 2.64021 -89.55734 873.49326
3555.0000 -94.50618 -90.37829 4.12789 2.62336 -89.75778 876.37775
3560.0000 -95.19332 -91.04144 4.15188 2.53272 -90.83542 805.70844
3565.0000 -95.44696 -92.03579 3.41117 2.48909 -91.35427 781.44279
3570.0000 -93.23835 -88.37875 4.85960 2.60577 -89.96690 902.39878
3575.0000 -94.21382 -89.56834 4.64548 2.65624 -89.36675 889.15108
3580.0000 -93.68335 -88.50510 5.17825 2.68471 -89.02829 947.35694
3585.0000 -94.64797 -89.77519 4.87279 2.68289 -89.04985 922.82744
3590.0000 -94.55943 -89.57514 4.98429 2.64654 -89.48214 923.55094
3595.0000 -92.95944 -88.89603 4.06341 2.74762 -88.28025 974.58926
3600.0000 -93.49319 -88.80037 4.69282 2.69831 -88.86650 948.68321
3605.0000 -94.12829 -87.57681 6.55148 2.73652 -88.41226 972.49727
3610.0000 -94.78315 -88.20493 6.57822 2.76890 -88.02724 1006.45963
3615.0000 -93.88701 -88.82506 5.06195 2.73618 -88.41628 960.40703
3620.0000 -92.74132 -87.69164 5.04969 2.78424 -87.84488 1005.82075
3625.0000 -92.14500 -87.38738 4.75762 2.80737 -87.56985 1066.97711
3630.0000 -91.87777 -86.91332 4.96444 2.83055 -87.29421 1048.75156
3635.0000 -93.32049 -88.68879 4.63169 2.77735 -87.92670 1015.46314
3640.0000 -94.27514 -90.35062 3.92452 2.65839 -89.34123 914.41906
3645.0000 -93.62276 -89.16279 4.45997 2.60586 -89.96584 889.70411
3650.0000 -95.14784 -90.56127 4.58657 2.62068 -89.78964 884.11742
3655.0000 -95.07680 -90.13876 4.93805 2.53500 -90.80837 819.37114
3660.0000 -93.83228 -89.62247 4.20981 2.56813 -90.41438 863.57577
3665.0000 -95.40194 -90.52453 4.87742 2.58730 -90.18650 886.04010
3670.0000 -94.08515 -90.83114 3.25401 2.50040 -91.21970 795.81202
3675.0000 -94.02260 -88.28862 5.73398 2.63064 -89.67116 891.81353
3680.0000 -94.85172 -90.26448 4.58724 2.66106 -89.30943 958.63330
3685.0000 -93.16646 -88.42667 4.73979 2.63270 -89.64670 910.83277
3690.0000 -92.62379 -87.75439 4.86939 2.71981 -88.61096 943.56779
3695.0000 -94.02603 -88.40138 5.62465 2.83930 -87.19011 1075.44840
3700.0000 -94.22769 -87.73337 6.49432 2.74422 -88.32062 993.03018
3705.0000 -94.73269 -88.13267 6.60001 2.78183 -87.87350 1038.83135
3710.0000 -94.25714 -88.80849 5.44865 2.70521 -88.78446 983.48680
3715.0000 -93.42477 -88.25753 5.16724 2.70527 -88.78376 977.03557
3720.0000 -93.13767 -88.45902 4.67866 2.74385 -88.32507 1012.82382
3725.0000 -94.52981 -89.50816 5.02165 2.68482 -89.02700 957.61915
3730.0000 -94.26199 -88.64268 5.61931 2.69951 -88.85231 978.84663
3735.0000 -94.56745 -90.18659 4.38086 2.68470 -89.02833 891.26479
3740.0000 -93.37875 -88.85017 4.52858 2.64916 -89.45095 890.28041
3745.0000 -94.62784 -90.18957 4.43826 2.66448 -89.26882 920.88060
3750.0000 -94.16151 -89.96596 4.19555 2.57876 -90.28797 863.66013
FREEZING PROCESS: loop number 16 T-loop= 922.00000000000000
main_MD> interactions number 16 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.87748 1.30287 1.78290
force_rgl> df(natom) 3.98517 -3.71092 0.43664
3755.0000 -94.56769 -90.04891 4.51878 2.57770 -90.30067 788.76061
3760.0000 -93.56865 -89.81099 3.75767 2.65192 -89.41809 905.00784
3765.0000 -95.21948 -88.87015 6.34933 2.63990 -89.56101 887.32501
3770.0000 -95.21357 -90.78702 4.42655 2.68142 -89.06743 921.80970
3775.0000 -94.58681 -90.47435 4.11246 2.57399 -90.34477 904.70205
3780.0000 -93.35262 -88.06465 5.28797 2.63344 -89.63782 890.43801
3785.0000 -94.28286 -88.96428 5.31857 2.69087 -88.95503 970.16289
3790.0000 -93.10614 -87.89666 5.20949 2.75185 -88.22999 1002.96629
3795.0000 -94.69955 -89.80356 4.89599 2.71093 -88.71654 974.00310
3800.0000 -93.40949 -88.86068 4.54881 2.61250 -89.88683 866.27329
3805.0000 -94.55783 -88.72684 5.83099 2.67192 -89.18036 928.60126
3810.0000 -93.61723 -87.73717 5.88007 2.73106 -88.47715 942.00913
3815.0000 -94.34118 -88.94199 5.39919 2.71678 -88.64693 1024.45786
3820.0000 -94.78821 -89.51201 5.27620 2.60384 -89.98985 917.74780
3825.0000 -94.72314 -90.74919 3.97394 2.60333 -89.99587 909.20964
3830.0000 -95.71751 -91.52944 4.18807 2.49294 -91.30841 817.29684
3835.0000 -93.83752 -89.27313 4.56438 2.56462 -90.45613 863.49744
3840.0000 -94.83726 -90.37518 4.46208 2.61392 -89.86995 870.91820
3845.0000 -95.39862 -91.24725 4.15137 2.53014 -90.86617 851.20705
3850.0000 -95.51716 -90.74466 4.77251 2.45230 -91.79166 782.59115
3855.0000 -95.68573 -91.16668 4.51906 2.58667 -90.19396 870.77212
3860.0000 -95.03472 -91.59679 3.43793 2.49745 -91.25476 802.75520
3865.0000 -95.34165 -91.00962 4.33202 2.48597 -91.39129 792.04651
3870.0000 -94.98848 -90.00780 4.98068 2.58678 -90.19271 851.39914
3875.0000 -94.87957 -89.56997 5.30960 2.55215 -90.60441 872.17969
3880.0000 -93.92247 -89.65575 4.26671 2.65617 -89.36759 912.11138
3885.0000 -93.64505 -88.11217 5.53288 2.66058 -89.31522 911.67360
3890.0000 -93.12027 -88.66359 4.45668 2.72935 -88.49749 1022.29287
3895.0000 -93.45707 -89.59674 3.86033 2.67783 -89.11012 932.07093
3900.0000 -95.14674 -90.95278 4.19396 2.60861 -89.93313 904.67897
3905.0000 -94.29201 -89.75221 4.53980 2.60025 -90.03244 915.20484
3910.0000 -95.18384 -91.22498 3.95886 2.52378 -90.94180 852.11949
3915.0000 -94.78537 -90.06029 4.72508 2.52343 -90.94596 816.79386
3920.0000 -93.91947 -89.14239 4.77709 2.73569 -88.42207 1014.01564
3925.0000 -93.93744 -88.69885 5.23859 2.66029 -89.31862 954.57179
3930.0000 -94.94287 -89.65593 5.28694 2.71036 -88.72328 940.11557
3935.0000 -95.26988 -89.70557 5.56431 2.63588 -89.60883 876.02164
3940.0000 -94.38109 -88.39711 5.98398 2.74320 -88.33285 985.47133
3945.0000 -95.33516 -90.74004 4.59513 2.63692 -89.59654 937.31243
3950.0000 -95.96865 -91.36126 4.60739 2.54613 -90.67605 831.56512
3955.0000 -94.40913 -90.60333 3.80580 2.56297 -90.47577 839.30926
3960.0000 -93.96412 -89.61622 4.34789 2.64320 -89.52182 916.75169
3965.0000 -94.95062 -89.94491 5.00571 2.62432 -89.74630 924.93668
3970.0000 -94.99041 -91.75138 3.23903 2.49012 -91.34197 791.90286
3975.0000 -95.66397 -89.68814 5.97584 2.51648 -91.02854 843.64290
3980.0000 -94.95683 -89.76628 5.19055 2.62261 -89.76665 920.09538
3985.0000 -95.43365 -90.32079 5.11286 2.57097 -90.38066 895.11683
3990.0000 -93.96788 -89.00471 4.96318 2.63194 -89.65574 906.45225
3995.0000 -93.98609 -88.36448 5.62160 2.77874 -87.91024 1039.81566
4000.0000 -94.22469 -89.63216 4.59252 2.69231 -88.93793 979.35587
FREEZING PROCESS: loop number 17 T-loop= 897.00000000000000
main_MD> interactions number 17 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08231 2.37675 -0.40387
force_rgl> df(natom) -0.57385 -0.99672 -0.52330
4005.0000 -96.06908 -90.91985 5.14923 2.58167 -90.25346 864.63932
4010.0000 -95.17478 -91.09676 4.07802 2.50860 -91.12221 767.86851
4015.0000 -94.33853 -89.44785 4.89068 2.54676 -90.66851 812.25244
4020.0000 -93.83918 -88.53893 5.30025 2.68439 -89.03207 952.42173
4025.0000 -94.72586 -88.86712 5.85874 2.66796 -89.22741 927.21367
4030.0000 -95.41632 -88.98330 6.43302 2.70314 -88.80914 981.61849
4035.0000 -94.16256 -90.29694 3.86562 2.60308 -89.99888 872.49065
4040.0000 -94.82441 -89.17037 5.65405 2.65349 -89.39945 907.77112
4045.0000 -93.88231 -89.45740 4.42490 2.66131 -89.30651 890.39673
4050.0000 -95.03907 -89.69553 5.34355 2.67794 -89.10874 955.74331
4055.0000 -96.23280 -90.85063 5.38216 2.54127 -90.73377 865.36218
4060.0000 -94.54176 -89.35670 5.18506 2.62388 -89.75150 940.17722
4065.0000 -95.33507 -91.27304 4.06204 2.58009 -90.27219 888.36410
4070.0000 -94.92440 -90.68245 4.24196 2.54643 -90.67248 840.98022
4075.0000 -94.86375 -90.66337 4.20038 2.51100 -91.09373 807.06367
4080.0000 -95.35285 -90.95316 4.39970 2.58921 -90.16381 841.26856
4085.0000 -93.49539 -88.69399 4.80140 2.59750 -90.06519 826.25566
4090.0000 -93.64193 -87.93985 5.70208 2.73149 -88.47201 971.56197
4095.0000 -94.38466 -89.63307 4.75159 2.71737 -88.63993 970.35022
4100.0000 -93.09707 -88.58928 4.50779 2.63677 -89.59831 883.25775
4105.0000 -95.33848 -90.67382 4.66466 2.58189 -90.25083 880.35000
4110.0000 -95.57495 -91.67532 3.89964 2.48428 -91.41136 796.34220
4115.0000 -96.11517 -92.84050 3.27467 2.43457 -92.00252 740.46168
4120.0000 -94.39890 -89.96784 4.43106 2.51840 -91.00570 811.49651
4125.0000 -93.77541 -88.69700 5.07840 2.65889 -89.33523 915.22119
4130.0000 -93.12733 -88.38803 4.73930 2.70806 -88.75064 957.94288
4135.0000 -93.39814 -89.13231 4.26583 2.68146 -89.06693 962.26182
4140.0000 -95.17825 -90.80977 4.36848 2.61119 -89.90242 866.01567
4145.0000 -95.15379 -90.72981 4.42398 2.50893 -91.11832 777.12470
4150.0000 -94.83959 -90.69147 4.14812 2.56684 -90.42970 846.24995
4155.0000 -93.94331 -89.01696 4.92635 2.59442 -90.10179 848.03777
4160.0000 -94.83826 -89.46545 5.37280 2.66932 -89.21122 929.95620
4165.0000 -95.14685 -90.91488 4.23197 2.57350 -90.35051 852.58946
4170.0000 -94.14359 -90.62188 3.52170 2.60996 -89.91699 916.28923
4175.0000 -95.54436 -90.91462 4.62973 2.51631 -91.03061 795.36069
4180.0000 -95.15785 -90.55609 4.60176 2.54657 -90.67075 871.99140
4185.0000 -93.70790 -88.54149 5.16641 2.62275 -89.76495 911.12845
4190.0000 -95.03240 -91.07823 3.95417 2.64548 -89.49476 903.47831
4195.0000 -96.02069 -90.97574 5.04495 2.53350 -90.82620 827.81764
4200.0000 -95.43233 -90.49432 4.93801 2.60157 -90.01682 898.60237
4205.0000 -94.73182 -90.38714 4.34468 2.61655 -89.83873 869.10439
4210.0000 -94.04040 -89.61292 4.42748 2.60488 -89.97748 851.42724
4215.0000 -94.82619 -89.66039 5.16580 2.64946 -89.44737 879.38048
4220.0000 -95.43000 -90.98854 4.44146 2.59790 -90.06050 920.39567
4225.0000 -94.66515 -89.65148 5.01367 2.55655 -90.55208 830.41879
4230.0000 -93.49626 -89.12603 4.37022 2.63335 -89.63888 956.97276
4235.0000 -94.80724 -90.38381 4.42343 2.61068 -89.90852 897.53792
4240.0000 -93.96753 -88.67662 5.29091 2.61053 -89.91023 884.43788
4245.0000 -94.08618 -89.56325 4.52293 2.68500 -89.02478 940.95253
4250.0000 -94.94230 -89.53710 5.40520 2.68864 -88.98155 953.98686
FREEZING PROCESS: loop number 18 T-loop= 872.00000000000000
main_MD> interactions number 18 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.64638 4.21996 -2.74403
force_rgl> df(natom) 2.03686 -2.24890 -3.41581
4255.0000 -94.60434 -90.20755 4.39679 2.60434 -89.98384 896.68295
4260.0000 -94.23856 -90.83562 3.40294 2.56428 -90.46014 877.83886
4265.0000 -94.56784 -89.35393 5.21390 2.54226 -90.72202 844.30909
4270.0000 -94.25383 -89.52844 4.72539 2.61274 -89.88397 878.09338
4275.0000 -94.01103 -89.86114 4.14989 2.65358 -89.39841 952.71864
4280.0000 -94.30265 -89.55453 4.74812 2.63826 -89.58051 914.03100
4285.0000 -96.69864 -91.79542 4.90322 2.57052 -90.38595 837.57563
4290.0000 -95.34609 -90.07333 5.27276 2.53436 -90.81594 817.01712
4295.0000 -95.13866 -90.53139 4.60727 2.59643 -90.07787 862.33977
4300.0000 -95.09813 -90.64531 4.45283 2.58468 -90.21766 919.99932
4305.0000 -95.81606 -90.59863 5.21743 2.51388 -91.05941 808.04451
4310.0000 -95.20384 -91.23141 3.97244 2.55671 -90.55026 855.67362
4315.0000 -94.29197 -90.51254 3.77943 2.57513 -90.33120 858.38441
4320.0000 -94.68834 -89.36479 5.32355 2.64947 -89.44731 964.01527
4325.0000 -95.83286 -91.55753 4.27533 2.60605 -89.96348 863.96625
4330.0000 -95.05915 -90.59107 4.46808 2.51034 -91.10156 853.91845
4335.0000 -94.74305 -91.29269 3.45036 2.57000 -90.39215 822.45713
4340.0000 -94.18285 -89.70478 4.47807 2.53981 -90.75117 840.95897
4345.0000 -94.63598 -89.39452 5.24146 2.64823 -89.46201 935.32637
4350.0000 -94.51535 -90.52321 3.99215 2.60817 -89.93834 834.34568
4355.0000 -94.39326 -90.61828 3.77499 2.57140 -90.37559 840.55904
4360.0000 -95.25538 -90.80964 4.44573 2.56043 -90.50597 833.49422
4365.0000 -95.49367 -91.45759 4.03608 2.58981 -90.15663 888.25229
4370.0000 -94.36349 -90.08149 4.28200 2.58559 -90.20680 858.57687
4375.0000 -95.04772 -90.45826 4.58946 2.55790 -90.53606 828.78333
4380.0000 -95.09624 -90.27038 4.82586 2.56077 -90.50192 805.52756
4385.0000 -94.34335 -89.19393 5.14943 2.67321 -89.16503 945.16512
4390.0000 -95.65037 -91.06582 4.58455 2.60249 -90.00581 900.68355
4395.0000 -94.57603 -90.00961 4.56642 2.59128 -90.13912 871.76176
4400.0000 -94.95655 -90.05382 4.90273 2.60657 -89.95733 857.69809
4405.0000 -95.58742 -91.14593 4.44148 2.55582 -90.56078 886.55694
4410.0000 -94.71376 -89.92434 4.78942 2.57482 -90.33483 890.07176
4415.0000 -94.93891 -89.86613 5.07278 2.66678 -89.24146 970.91409
4420.0000 -95.28513 -90.92219 4.36294 2.59404 -90.10632 899.82344
4425.0000 -95.30647 -91.27886 4.02761 2.51980 -90.98905 776.31795
4430.0000 -95.48523 -90.87005 4.61518 2.52361 -90.94374 810.76529
4435.0000 -94.64060 -90.18772 4.45287 2.53273 -90.83530 824.02799
4440.0000 -94.54802 -89.46727 5.08075 2.62402 -89.74992 908.01937
4445.0000 -95.61086 -91.66493 3.94593 2.51207 -91.08095 811.88770
4450.0000 -94.92082 -90.78857 4.13225 2.50989 -91.10690 814.81226
4455.0000 -96.41840 -91.37602 5.04238 2.51638 -91.02968 786.98288
4460.0000 -95.35146 -91.40275 3.94871 2.57570 -90.32446 827.46787
4465.0000 -95.11645 -90.58376 4.53269 2.55706 -90.54599 831.76745
4470.0000 -94.83840 -89.95093 4.88748 2.56864 -90.40836 853.15722
4475.0000 -94.76640 -89.18524 5.58116 2.68937 -88.97285 966.69833
4480.0000 -94.30006 -89.63637 4.66369 2.67126 -89.18820 937.05276
4485.0000 -94.00290 -89.42528 4.57762 2.65148 -89.42333 933.18996
4490.0000 -93.72746 -89.12631 4.60115 2.64386 -89.51402 910.46358
4495.0000 -92.52655 -87.99008 4.53647 2.73439 -88.43760 958.45075
4500.0000 -93.76145 -88.57195 5.18950 2.75042 -88.24699 949.07923
FREEZING PROCESS: loop number 19 T-loop= 847.00000000000000
main_MD> interactions number 19 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30546 1.58312 1.55574
force_rgl> df(natom) 0.74803 -3.17656 1.05365
4505.0000 -94.52736 -90.69149 3.83587 2.56519 -90.44936 838.72555
4510.0000 -94.66963 -89.83544 4.83420 2.61335 -89.87674 864.15904
4515.0000 -94.16326 -89.80332 4.35994 2.64442 -89.50729 868.55450
4520.0000 -95.02252 -90.61646 4.40606 2.63122 -89.66424 916.58770
4525.0000 -95.28815 -90.72126 4.56689 2.53898 -90.76107 815.18024
4530.0000 -97.41441 -93.42705 3.98735 2.46815 -91.60319 781.40194
4535.0000 -96.75443 -92.85594 3.89849 2.34991 -93.00912 721.99849
4540.0000 -93.50656 -89.28180 4.22476 2.50620 -91.15081 838.41792
4545.0000 -95.87544 -89.99629 5.87916 2.58571 -90.20537 822.23126
4550.0000 -94.16320 -90.07775 4.08545 2.56208 -90.48638 870.85409
4555.0000 -94.92526 -89.62756 5.29770 2.63468 -89.62318 867.73113
4560.0000 -95.07216 -90.42475 4.64741 2.57236 -90.36412 853.53604
4565.0000 -94.58432 -90.60095 3.98338 2.55302 -90.59406 870.98533
4570.0000 -94.00531 -89.60250 4.40280 2.59232 -90.12678 869.77249
4575.0000 -95.14773 -89.96508 5.18265 2.59179 -90.13312 850.62251
4580.0000 -94.41918 -88.95767 5.46151 2.63142 -89.66189 891.85852
4585.0000 -95.19587 -90.55350 4.64237 2.64264 -89.52849 885.22838
4590.0000 -95.83648 -91.70990 4.12658 2.54985 -90.63174 859.48462
4595.0000 -96.26379 -91.21404 5.04975 2.44508 -91.87754 791.73628
4600.0000 -94.54407 -89.95994 4.58413 2.47473 -91.52501 781.66526
4605.0000 -92.95757 -88.30266 4.65491 2.67403 -89.15528 916.96525
4610.0000 -95.01511 -90.19320 4.82191 2.63091 -89.66792 899.76223
4615.0000 -93.97739 -89.42578 4.55161 2.62411 -89.74880 861.36754
4620.0000 -95.65096 -90.96299 4.68798 2.56018 -90.50895 852.54532
4625.0000 -94.57005 -90.87965 3.69040 2.57464 -90.33703 838.05547
4630.0000 -94.83744 -90.28602 4.55142 2.58020 -90.27086 901.79870
4635.0000 -93.90421 -89.49319 4.41102 2.62817 -89.70051 926.90323
4640.0000 -93.89070 -89.57748 4.31322 2.68475 -89.02783 904.24542
4645.0000 -95.49640 -90.59536 4.90104 2.57042 -90.38723 835.77378
4650.0000 -95.90365 -91.25252 4.65113 2.50249 -91.19486 796.25919
4655.0000 -94.54326 -90.00810 4.53516 2.51858 -91.00354 829.41725
4660.0000 -94.80267 -90.96526 3.83741 2.55415 -90.58069 860.48232
4665.0000 -93.48081 -89.99118 3.48963 2.59049 -90.14856 856.06390
4670.0000 -95.44185 -91.79105 3.65080 2.49577 -91.27478 745.53411
4675.0000 -96.32827 -91.99895 4.32933 2.52235 -90.95878 806.64701
4680.0000 -96.05117 -91.69282 4.35835 2.42356 -92.13332 745.06507
4685.0000 -94.43975 -90.65805 3.78170 2.48335 -91.42244 783.50943
4690.0000 -94.31253 -89.27324 5.03929 2.59914 -90.04576 880.39731
4695.0000 -94.28421 -89.66887 4.61533 2.66763 -89.23138 929.96469
4700.0000 -93.81147 -88.97988 4.83159 2.63361 -89.63580 922.74341
4705.0000 -94.95956 -90.49153 4.46804 2.66009 -89.32094 907.21744
4710.0000 -95.38835 -90.93896 4.44939 2.53627 -90.79328 856.85073
4715.0000 -94.13498 -89.13254 5.00244 2.62579 -89.72882 916.91132
4720.0000 -93.11241 -89.06080 4.05161 2.63396 -89.63167 860.91297
4725.0000 -94.16748 -88.97246 5.19502 2.69853 -88.86397 977.99248
4730.0000 -93.79943 -89.35607 4.44336 2.69585 -88.89585 962.85593
4735.0000 -94.80054 -90.43429 4.36625 2.56410 -90.46230 820.02824
4740.0000 -94.30614 -89.85936 4.44678 2.57641 -90.31596 843.02953
4745.0000 -96.52233 -92.14402 4.37831 2.51040 -91.10085 833.77714
4750.0000 -95.32950 -91.93444 3.39507 2.39790 -92.43853 737.47265
FREEZING PROCESS: loop number 20 T-loop= 822.00000000000000
main_MD> interactions number 20 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24591 1.99235 -5.19960
force_rgl> df(natom) 0.27939 -1.99792 1.52213
4755.0000 -94.85500 -91.23369 3.62130 2.44508 -91.87746 748.27833
4760.0000 -96.08136 -91.34066 4.74070 2.49388 -91.29724 783.50153
4765.0000 -95.77846 -91.43417 4.34430 2.44819 -91.84049 745.33010
4770.0000 -95.85394 -91.12371 4.73023 2.47981 -91.46454 785.65945
4775.0000 -94.39969 -90.67138 3.72831 2.49577 -91.27481 807.00203
4780.0000 -96.08227 -91.88924 4.19303 2.53894 -90.76143 826.97937
4785.0000 -95.78567 -91.73067 4.05499 2.44736 -91.85044 769.35380
4790.0000 -94.63455 -89.94077 4.69378 2.57560 -90.32556 883.67868
4795.0000 -95.20492 -90.64351 4.56141 2.57095 -90.38084 808.38476
4800.0000 -95.80503 -91.58479 4.22024 2.50789 -91.13063 803.08855
4805.0000 -95.82395 -91.17441 4.64954 2.44585 -91.86836 784.07247
4810.0000 -94.96453 -91.02601 3.93852 2.54636 -90.67327 854.70462
4815.0000 -95.27216 -91.02332 4.24883 2.53134 -90.85185 871.70768
4820.0000 -95.76420 -91.38285 4.38135 2.49254 -91.31322 793.74419
4825.0000 -94.87389 -90.86530 4.00859 2.50994 -91.10633 782.78931
4830.0000 -95.87006 -91.84084 4.02922 2.50385 -91.17875 787.07078
4835.0000 -95.00855 -90.18786 4.82069 2.48390 -91.41596 810.00622
4840.0000 -94.24922 -89.30800 4.94122 2.62013 -89.79611 892.12207
4845.0000 -95.38073 -89.84392 5.53681 2.61620 -89.84283 935.23351
4850.0000 -94.22016 -89.76974 4.45042 2.64616 -89.48666 908.64269
4855.0000 -94.88838 -91.08064 3.80774 2.59364 -90.11110 848.64907
4860.0000 -94.30974 -89.69667 4.61307 2.53658 -90.78959 785.88003
4865.0000 -94.89685 -90.72026 4.17659 2.55328 -90.59097 859.75327
4870.0000 -95.62546 -90.68293 4.94252 2.57419 -90.34240 877.16683
4875.0000 -95.52478 -91.46656 4.05821 2.49050 -91.33742 830.96542
4880.0000 -95.93218 -91.56505 4.36713 2.45823 -91.72111 795.91224
4885.0000 -94.12053 -89.13689 4.98365 2.61278 -89.88351 905.88438
4890.0000 -95.26671 -90.41432 4.85238 2.62847 -89.69691 939.58320
4895.0000 -97.06446 -92.52398 4.54047 2.47582 -91.51197 814.54641
4900.0000 -96.68046 -92.32884 4.35162 2.43738 -91.96907 809.60670
4905.0000 -95.17843 -91.14516 4.03326 2.46275 -91.66745 783.91986
4910.0000 -95.39015 -91.76125 3.62890 2.46862 -91.59756 778.75134
4915.0000 -95.38626 -90.86266 4.52361 2.49662 -91.26463 755.94181
4920.0000 -96.14197 -90.43731 5.70465 2.54520 -90.68709 839.30387
4925.0000 -96.03210 -91.93600 4.09610 2.47205 -91.55683 733.04612
4930.0000 -96.53133 -92.51967 4.01167 2.40753 -92.32397 688.01280
4935.0000 -95.47482 -91.97287 3.50195 2.47995 -91.46288 784.11476
4940.0000 -95.34582 -90.51647 4.82935 2.45943 -91.70693 744.13102
4945.0000 -95.17613 -91.26536 3.91077 2.56773 -90.41916 838.51512
4950.0000 -96.11098 -92.41273 3.69825 2.49018 -91.34121 813.29360
4955.0000 -95.51864 -90.77281 4.74583 2.51430 -91.05442 799.98069
4960.0000 -95.07426 -91.15933 3.91492 2.58499 -90.21400 848.80704
4965.0000 -96.52598 -92.49224 4.03374 2.42255 -92.14534 747.30131
4970.0000 -96.07097 -91.74134 4.32962 2.44398 -91.89059 785.83570
4975.0000 -95.93821 -92.13388 3.80433 2.45852 -91.71774 770.67559
4980.0000 -95.11007 -91.03766 4.07241 2.46850 -91.59902 781.90922
4985.0000 -96.00563 -92.31078 3.69484 2.50437 -91.17254 809.56934
4990.0000 -97.38381 -92.96023 4.42359 2.38009 -92.65023 738.15535
4995.0000 -95.57201 -91.80641 3.76560 2.39497 -92.47330 721.79932
5000.0000 -95.24380 -91.65998 3.58382 2.49163 -91.32396 756.27667
FREEZING PROCESS: loop number 21 T-loop= 797.00000000000000
main_MD> interactions number 21 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50106 -0.06138 -1.21846
force_rgl> df(natom) -1.08384 0.49227 2.06853
5005.0000 -95.66448 -90.31218 5.35230 2.50552 -91.15886 806.64151
5010.0000 -95.17793 -91.26265 3.91528 2.48364 -91.41902 806.07517
5015.0000 -95.37404 -91.03933 4.33472 2.52995 -90.86839 792.18265
5020.0000 -95.94884 -91.88008 4.06876 2.47765 -91.49025 769.88365
5025.0000 -95.76286 -91.61332 4.14955 2.49811 -91.24700 814.32582
5030.0000 -95.53767 -91.87423 3.66344 2.48102 -91.45017 751.48650
5035.0000 -95.83862 -91.75688 4.08174 2.46226 -91.67328 743.74641
5040.0000 -96.56831 -92.20625 4.36206 2.47241 -91.55259 740.68730
5045.0000 -95.90653 -91.39428 4.51225 2.44592 -91.86751 754.60233
5050.0000 -95.19129 -91.04913 4.14216 2.53956 -90.75415 826.43300
5055.0000 -95.21544 -89.86222 5.35322 2.56376 -90.46633 851.18597
5060.0000 -96.02496 -91.59946 4.42550 2.53725 -90.78155 849.43815
5065.0000 -95.58999 -91.64505 3.94494 2.47382 -91.53579 779.30712
5070.0000 -96.20513 -91.67874 4.52639 2.39473 -92.47619 733.57672
5075.0000 -96.09943 -91.52759 4.57185 2.49301 -91.30758 770.76985
5080.0000 -95.21105 -91.07165 4.13940 2.48581 -91.39320 780.62781
5085.0000 -96.10651 -92.11298 3.99353 2.46626 -91.62572 797.77050
5090.0000 -95.54601 -91.59771 3.94830 2.43556 -91.99075 781.15485
5095.0000 -95.50153 -91.57134 3.93020 2.47786 -91.48775 796.48469
5100.0000 -94.86012 -91.39450 3.46562 2.49558 -91.27704 776.88030
5105.0000 -95.41757 -91.13327 4.28429 2.45967 -91.70405 772.59812
5110.0000 -96.01184 -91.13768 4.87416 2.49329 -91.30427 797.19885
5115.0000 -95.21359 -90.73922 4.47437 2.56083 -90.50116 857.67377
5120.0000 -95.90097 -91.84268 4.05829 2.47596 -91.51038 789.84086
5125.0000 -95.65235 -91.34021 4.31213 2.52770 -90.89513 800.36542
5130.0000 -94.45944 -90.07752 4.38192 2.50176 -91.20359 800.61148
5135.0000 -95.90827 -92.08873 3.81955 2.52432 -90.93530 838.49788
5140.0000 -95.82252 -92.06892 3.75360 2.45981 -91.70234 767.74682
5145.0000 -94.87614 -91.30667 3.56947 2.42028 -92.17233 744.33711
5150.0000 -96.10077 -92.03518 4.06559 2.50928 -91.11419 755.12985
5155.0000 -95.48593 -90.17738 5.30856 2.55859 -90.52780 852.00173
5160.0000 -94.76832 -90.83492 3.93340 2.55981 -90.51335 837.34349
5165.0000 -94.15881 -90.14932 4.00949 2.56269 -90.47910 844.84572
5170.0000 -94.63981 -90.37709 4.26272 2.59508 -90.09394 864.90923
5175.0000 -94.87095 -89.94580 4.92515 2.60707 -89.95138 893.06320
5180.0000 -95.82564 -91.99741 3.82823 2.48789 -91.36844 753.87116
5185.0000 -95.03268 -90.64414 4.38854 2.49249 -91.31380 764.43240
5190.0000 -96.57305 -92.89890 3.67415 2.44612 -91.86512 763.89358
5195.0000 -95.62233 -91.65898 3.96335 2.43493 -91.99815 757.58265
5200.0000 -93.95502 -89.79480 4.16021 2.54672 -90.66893 835.77592
5205.0000 -95.23050 -90.17408 5.05642 2.65681 -89.35997 874.19719
5210.0000 -94.20340 -89.69373 4.50967 2.63806 -89.58290 889.06848
5215.0000 -95.46677 -91.00080 4.46598 2.61476 -89.85996 898.89953
5220.0000 -95.91410 -91.76971 4.14439 2.50121 -91.21008 784.50261
5225.0000 -95.56150 -90.96420 4.59730 2.43232 -92.02927 762.06879
5230.0000 -95.87876 -92.48597 3.39279 2.47643 -91.50480 776.30031
5235.0000 -95.98367 -91.86605 4.11762 2.42560 -92.10911 718.52300
5240.0000 -95.71838 -91.07193 4.64645 2.46809 -91.60396 792.24694
5245.0000 -95.48224 -91.39991 4.08233 2.48242 -91.43347 785.34971
5250.0000 -95.52041 -91.17285 4.34756 2.50001 -91.22433 824.31555
FREEZING PROCESS: loop number 22 T-loop= 772.00000000000000
main_MD> interactions number 22 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.82909 1.66162 -4.59872
force_rgl> df(natom) 0.32983 2.15838 -1.03096
5255.0000 -96.22983 -91.50564 4.72419 2.48076 -91.45332 776.95358
5260.0000 -95.73219 -91.43748 4.29471 2.46317 -91.66238 743.92212
5265.0000 -95.67357 -92.37186 3.30171 2.45615 -91.74591 755.02726
5270.0000 -95.78892 -91.49864 4.29028 2.44596 -91.86707 756.35857
5275.0000 -96.08140 -92.13857 3.94283 2.46521 -91.63815 817.89038
5280.0000 -96.13943 -92.89431 3.24512 2.37925 -92.66025 705.98935
5285.0000 -94.64495 -90.62107 4.02388 2.45981 -91.70238 781.22062
5290.0000 -95.42025 -91.25151 4.16874 2.56240 -90.48251 841.33041
5295.0000 -94.87132 -90.79454 4.07678 2.52446 -90.93361 811.99668
5300.0000 -95.65717 -92.41874 3.23843 2.44074 -91.92915 744.10888
5305.0000 -96.27548 -92.39731 3.87818 2.42176 -92.15476 715.39184
5310.0000 -95.78229 -91.09780 4.68449 2.43849 -91.95584 773.11025
5315.0000 -95.00783 -91.57123 3.43660 2.51998 -90.98696 805.01574
5320.0000 -95.11839 -91.48120 3.63719 2.48179 -91.44106 781.52806
5325.0000 -95.93838 -91.88600 4.05238 2.48382 -91.41689 782.52959
5330.0000 -96.25555 -92.40475 3.85080 2.42716 -92.09059 772.27634
5335.0000 -95.49565 -91.82964 3.66601 2.43502 -91.99710 743.40604
5340.0000 -96.41285 -92.63742 3.77543 2.39914 -92.42375 724.46508
5345.0000 -96.06687 -92.04455 4.02232 2.36227 -92.86210 694.31611
5350.0000 -96.17755 -92.34539 3.83216 2.39836 -92.43301 695.41228
5355.0000 -96.23646 -92.47050 3.76596 2.37950 -92.65732 706.78762
5360.0000 -96.65124 -93.18627 3.46497 2.34308 -93.09034 667.67963
5365.0000 -96.47709 -92.05295 4.42414 2.43982 -91.93999 749.77227
5370.0000 -94.90435 -91.18177 3.72257 2.44473 -91.88168 728.59981
5375.0000 -95.67665 -91.77440 3.90225 2.43902 -91.94950 744.02304
5380.0000 -95.88564 -92.28950 3.59614 2.43999 -91.93798 776.34598
5385.0000 -96.19899 -92.57708 3.62191 2.42092 -92.16473 730.33938
5390.0000 -96.37533 -92.22995 4.14537 2.43975 -91.94083 766.38877
5395.0000 -95.12747 -92.30666 2.82081 2.40729 -92.32688 712.73230
5400.0000 -95.89883 -92.09534 3.80349 2.40242 -92.38469 760.28815
5405.0000 -97.43727 -92.76443 4.67284 2.36099 -92.87737 696.64425
5410.0000 -95.89636 -91.49137 4.40500 2.43488 -91.99884 722.51669
5415.0000 -94.78900 -90.91006 3.87894 2.43804 -91.96116 721.70663
5420.0000 -96.13486 -91.90252 4.23234 2.49749 -91.25437 784.71100
5425.0000 -97.05463 -92.88840 4.16623 2.43754 -91.96719 718.39044
5430.0000 -95.51034 -91.90587 3.60446 2.42926 -92.06555 707.57549
5435.0000 -96.40706 -91.37880 5.02826 2.43979 -91.94042 736.75690
5440.0000 -94.53310 -90.97807 3.55502 2.49139 -91.32681 800.91060
5445.0000 -95.43246 -92.48547 2.94699 2.45608 -91.74675 757.94535
5450.0000 -95.36166 -90.63194 4.72972 2.46897 -91.59345 785.03305
5455.0000 -95.82984 -91.80544 4.02440 2.50008 -91.22353 813.87007
5460.0000 -95.18315 -90.93471 4.24843 2.49912 -91.23493 780.87106
5465.0000 -94.99834 -90.80345 4.19489 2.53433 -90.81632 813.05371
5470.0000 -96.00418 -91.39836 4.60582 2.52243 -90.95777 821.85665
5475.0000 -95.86308 -91.76473 4.09835 2.45221 -91.79269 744.97642
5480.0000 -95.77120 -92.27201 3.49919 2.43227 -92.02983 759.64062
5485.0000 -95.36464 -91.77592 3.58872 2.46744 -91.61163 765.54345
5490.0000 -95.02855 -91.22699 3.80157 2.48773 -91.37045 748.65860
5495.0000 -95.75538 -90.74213 5.01325 2.51084 -91.09557 830.05268
5500.0000 -93.85991 -89.20398 4.65592 2.65321 -89.40276 923.40178
FREEZING PROCESS: loop number 23 T-loop= 747.00000000000000
main_MD> interactions number 23 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.19020 -1.73190 -0.06624
force_rgl> df(natom) -2.81579 0.03730 -2.35575
5505.0000 -94.44118 -90.20539 4.23579 2.62473 -89.74138 872.94372
5510.0000 -95.35336 -90.37629 4.97707 2.59047 -90.14880 863.09949
5515.0000 -95.77272 -90.68690 5.08582 2.56362 -90.46801 864.17250
5520.0000 -93.65685 -90.28612 3.37073 2.56655 -90.43319 856.21459
5525.0000 -95.62521 -91.59554 4.02967 2.47897 -91.47459 755.64588
5530.0000 -96.21155 -92.09644 4.11511 2.45523 -91.75681 735.50594
5535.0000 -95.07271 -91.82804 3.24467 2.43520 -91.99501 727.88049
5540.0000 -95.77770 -92.16671 3.61099 2.42594 -92.10505 762.04059
5545.0000 -96.32098 -92.42213 3.89885 2.41805 -92.19886 728.85956
5550.0000 -95.95293 -92.18512 3.76780 2.43435 -92.00509 722.89484
5555.0000 -97.25849 -93.52691 3.73158 2.36650 -92.81185 680.84037
5560.0000 -95.90486 -92.33582 3.56904 2.36032 -92.88533 690.90298
5565.0000 -95.48873 -91.80000 3.68873 2.48125 -91.44740 796.36744
5570.0000 -95.82852 -92.44714 3.38138 2.44083 -91.92808 731.47764
5575.0000 -95.60862 -92.39456 3.21406 2.39479 -92.47542 697.50090
5580.0000 -95.59477 -91.21660 4.37816 2.41831 -92.19586 722.32583
5585.0000 -97.33253 -93.08014 4.25239 2.40411 -92.36462 710.98593
5590.0000 -97.24644 -92.81456 4.43188 2.40652 -92.33597 757.92903
5595.0000 -95.87970 -92.11508 3.76462 2.44413 -91.88874 747.82896
5600.0000 -96.23422 -92.22841 4.00581 2.38684 -92.57000 706.45060
5605.0000 -96.11982 -91.85351 4.26631 2.42961 -92.06147 750.83530
5610.0000 -93.72304 -89.76032 3.96272 2.51991 -90.98781 807.91079
5615.0000 -96.06608 -90.48340 5.58269 2.54534 -90.68545 829.07082
5620.0000 -95.14195 -91.14474 3.99720 2.55084 -90.61998 812.31331
5625.0000 -96.13767 -91.82395 4.31372 2.44377 -91.89308 771.44651
5630.0000 -95.17466 -91.66790 3.50676 2.51727 -91.01913 817.01981
5635.0000 -95.69617 -91.91336 3.78281 2.38186 -92.62923 675.08598
5640.0000 -95.60474 -91.37322 4.23153 2.44795 -91.84344 748.36840
5645.0000 -95.86994 -91.40836 4.46158 2.45514 -91.75785 696.98199
5650.0000 -96.69508 -92.67829 4.01679 2.46602 -91.62853 759.61415
5655.0000 -96.97118 -92.43623 4.53495 2.35230 -92.98062 729.96854
5660.0000 -96.57836 -92.83577 3.74258 2.35631 -92.93295 702.70302
5665.0000 -95.57111 -92.48120 3.08991 2.39501 -92.47286 731.50064
5670.0000 -95.34184 -91.73489 3.60694 2.42802 -92.08036 721.12286
5675.0000 -95.68808 -92.60955 3.07853 2.46033 -91.69623 728.29914
5680.0000 -96.49575 -93.08785 3.40790 2.37710 -92.68577 657.15825
5685.0000 -96.37718 -92.87351 3.50367 2.34061 -93.11963 662.00635
5690.0000 -96.44209 -92.29907 4.14302 2.36665 -92.81007 707.77272
5695.0000 -96.13930 -92.56845 3.57085 2.38954 -92.53794 709.33439
5700.0000 -96.55611 -92.56083 3.99529 2.43102 -92.04471 751.74920
5705.0000 -96.82085 -92.74125 4.07960 2.37693 -92.68782 668.13673
5710.0000 -96.49325 -92.44850 4.04476 2.40876 -92.30941 761.34026
5715.0000 -97.31173 -93.63162 3.68011 2.28701 -93.75700 621.25056
5720.0000 -95.87885 -92.19820 3.68065 2.39329 -92.49326 658.04389
5725.0000 -96.07017 -91.56543 4.50473 2.45137 -91.80272 792.66891
5730.0000 -95.42708 -92.06895 3.35812 2.39704 -92.44873 674.68446
5735.0000 -96.25482 -93.04423 3.21059 2.39018 -92.53027 692.57435
5740.0000 -95.48263 -92.03854 3.44410 2.44346 -91.89674 738.93417
5745.0000 -95.83912 -91.84852 3.99060 2.44461 -91.88311 757.10713
5750.0000 -95.49733 -92.40464 3.09269 2.43563 -91.98982 740.29205
FREEZING PROCESS: loop number 24 T-loop= 722.00000000000000
main_MD> interactions number 24 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.70198 -1.38936 -0.79421
force_rgl> df(natom) -0.33182 -0.16104 3.12931
5755.0000 -97.29534 -92.19583 5.09951 2.43017 -92.05477 759.94526
5760.0000 -96.43210 -92.52513 3.90697 2.40263 -92.38229 741.81272
5765.0000 -96.00797 -91.73597 4.27201 2.43613 -91.98395 755.33138
5770.0000 -96.51588 -92.95693 3.55895 2.43283 -92.02312 756.21153
5775.0000 -96.26829 -92.12248 4.14580 2.37221 -92.74400 688.13898
5780.0000 -97.68503 -92.49290 5.19213 2.36399 -92.84169 733.30630
5785.0000 -96.62397 -93.20731 3.41666 2.30670 -93.52289 682.57318
5790.0000 -96.54531 -92.54507 4.00024 2.34512 -93.06604 683.26883
5795.0000 -96.47217 -92.70852 3.76365 2.42285 -92.14187 716.22401
5800.0000 -96.26211 -92.90638 3.35574 2.41238 -92.26627 708.48602
5805.0000 -97.22097 -93.21663 4.00434 2.35925 -92.89807 642.69376
5810.0000 -95.84710 -92.18792 3.65918 2.39059 -92.52546 686.69625
5815.0000 -95.26493 -91.88856 3.37638 2.39253 -92.50231 672.10472
5820.0000 -95.75483 -91.50143 4.25341 2.48231 -91.43480 795.61738
5825.0000 -96.21551 -92.00134 4.21417 2.45847 -91.71834 782.80233
5830.0000 -96.54627 -92.57529 3.97098 2.44633 -91.86260 753.42248
5835.0000 -96.16215 -92.45708 3.70507 2.40297 -92.37820 716.54243
5840.0000 -96.26035 -92.98164 3.27871 2.39385 -92.48665 701.24280
5845.0000 -97.00918 -93.12703 3.88215 2.35984 -92.89105 694.33076
5850.0000 -95.34132 -90.97048 4.37084 2.42781 -92.08289 759.84820
5855.0000 -95.05308 -90.89433 4.15875 2.52824 -90.88874 831.60033
5860.0000 -95.46588 -92.55055 2.91533 2.47385 -91.53542 776.82200
5865.0000 -97.00733 -92.91949 4.08784 2.38468 -92.59569 687.82894
5870.0000 -96.55904 -92.62920 3.92984 2.39214 -92.50696 718.02213
5875.0000 -96.45497 -93.14820 3.30677 2.34559 -93.06048 672.32724
5880.0000 -97.16192 -93.11220 4.04972 2.33885 -93.14061 673.60994
5885.0000 -97.51170 -93.32230 4.18939 2.35099 -92.99621 698.89015
5890.0000 -95.18508 -90.91459 4.27049 2.39892 -92.42639 702.99102
5895.0000 -95.09601 -91.30382 3.79219 2.49860 -91.24119 802.11820
5900.0000 -96.31900 -91.72799 4.59101 2.49677 -91.26284 772.59687
5905.0000 -95.46450 -91.50063 3.96387 2.46279 -91.66698 736.77195
5910.0000 -96.59205 -91.83946 4.75259 2.38831 -92.55257 702.03189
5915.0000 -95.56472 -92.22182 3.34290 2.43127 -92.04167 726.62289
5920.0000 -95.12545 -91.45491 3.67054 2.45366 -91.77550 763.73609
5925.0000 -96.43206 -92.50348 3.92857 2.41558 -92.22831 760.43907
5930.0000 -97.11745 -93.57965 3.53780 2.30740 -93.51453 675.23448
5935.0000 -96.52750 -92.34221 4.18529 2.33111 -93.23264 657.04392
5940.0000 -98.16830 -94.72904 3.43926 2.27342 -93.91856 626.83879
5945.0000 -97.17473 -93.95218 3.22255 2.22163 -94.53439 564.76620
5950.0000 -96.71646 -93.50865 3.20781 2.29430 -93.67026 637.80814
5955.0000 -96.90989 -92.68630 4.22359 2.35917 -92.89905 706.90959
5960.0000 -97.29737 -93.79284 3.50453 2.31997 -93.36510 691.60381
5965.0000 -97.07879 -93.57384 3.50495 2.31562 -93.41678 674.23126
5970.0000 -97.26175 -93.87964 3.38211 2.31710 -93.39925 691.98309
5975.0000 -95.25080 -90.67459 4.57621 2.38814 -92.55458 731.99826
5980.0000 -95.77883 -92.24790 3.53093 2.46029 -91.69666 772.33571
5985.0000 -96.26170 -91.88909 4.37261 2.38569 -92.58365 696.08353
5990.0000 -97.01482 -93.05905 3.95577 2.37172 -92.74976 661.55996
5995.0000 -97.53711 -93.97566 3.56145 2.30641 -93.52628 600.97835
6000.0000 -96.39837 -93.39508 3.00329 2.29440 -93.66916 590.38736
FREEZING PROCESS: loop number 25 T-loop= 697.00000000000000
main_MD> interactions number 25 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.41503 7.30136 0.95392
force_rgl> df(natom) -5.17383 -2.91307 -3.39465
6005.0000 -97.09208 -93.33263 3.75945 2.33185 -93.22389 602.87783
6010.0000 -95.67784 -91.66794 4.00990 2.39266 -92.50085 718.76612
6015.0000 -95.82020 -92.49035 3.32985 2.46411 -91.65120 741.85230
6020.0000 -96.09693 -91.86520 4.23174 2.44046 -91.93242 758.73655
6025.0000 -95.69142 -92.55027 3.14115 2.39788 -92.43874 684.88995
6030.0000 -96.64658 -93.01237 3.63421 2.33287 -93.21165 672.89755
6035.0000 -95.63926 -91.35649 4.28276 2.38557 -92.58512 693.32851
6040.0000 -96.06724 -92.34535 3.72189 2.42127 -92.16059 695.22720
6045.0000 -96.17006 -92.46957 3.70049 2.44182 -91.91632 690.97789
6050.0000 -96.49817 -93.06413 3.43404 2.32563 -93.29775 636.24486
6055.0000 -96.64066 -93.03264 3.60803 2.33675 -93.16553 649.25673
6060.0000 -96.50986 -92.65535 3.85451 2.36878 -92.78474 689.76516
6065.0000 -96.13937 -91.52862 4.61076 2.44066 -91.93009 732.17371
6070.0000 -95.66707 -92.00901 3.65806 2.46190 -91.67755 747.53321
6075.0000 -96.80756 -93.35637 3.45119 2.36560 -92.82259 662.19464
6080.0000 -95.98015 -92.49345 3.48669 2.35339 -92.96769 674.46427
6085.0000 -95.95227 -92.37778 3.57449 2.40222 -92.38708 743.64831
6090.0000 -95.81840 -92.33699 3.48141 2.39267 -92.50068 706.36834
6095.0000 -96.43104 -93.02815 3.40288 2.34032 -93.12313 660.28758
6100.0000 -96.09079 -92.20508 3.88571 2.34325 -93.08823 665.49576
6105.0000 -95.73136 -92.96367 2.76769 2.39857 -92.43047 721.23661
6110.0000 -96.11146 -91.21740 4.89406 2.41537 -92.23080 766.30097
6115.0000 -96.06621 -92.50816 3.55804 2.42424 -92.12526 756.10792
6120.0000 -96.22951 -91.94803 4.28148 2.43743 -91.96843 719.66671
6125.0000 -96.34528 -92.73549 3.60979 2.42577 -92.10713 745.77914
6130.0000 -97.14712 -93.08302 4.06410 2.34742 -93.03866 643.82845
6135.0000 -95.81447 -92.55470 3.25977 2.36350 -92.84746 707.43657
6140.0000 -96.72549 -92.99813 3.72736 2.36534 -92.82561 696.24500
6145.0000 -96.19141 -92.85507 3.33634 2.33184 -93.22400 671.41817
6150.0000 -96.41030 -93.30145 3.10885 2.31427 -93.43284 619.85431
6155.0000 -96.65610 -92.85056 3.80554 2.32812 -93.26816 662.08086
6160.0000 -96.74043 -92.28434 4.45609 2.37485 -92.71252 685.80542
6165.0000 -96.26453 -92.30275 3.96178 2.39317 -92.49469 732.96969
6170.0000 -96.13117 -91.94912 4.18205 2.40883 -92.30852 731.96132
6175.0000 -95.09513 -91.54517 3.54996 2.45018 -91.81683 705.24446
6180.0000 -96.26483 -92.61744 3.64739 2.46714 -91.61523 718.36859
6185.0000 -96.21411 -92.73349 3.48063 2.40558 -92.34722 760.82270
6190.0000 -95.95537 -92.27831 3.67706 2.40277 -92.38061 719.77771
6195.0000 -94.98296 -91.13424 3.84873 2.47794 -91.48675 751.03435
6200.0000 -96.12742 -92.51387 3.61355 2.46070 -91.69175 693.76683
6205.0000 -96.69774 -93.45684 3.24089 2.35771 -92.91633 640.71925
6210.0000 -96.51889 -93.50259 3.01630 2.34684 -93.04554 692.66885
6215.0000 -97.64250 -93.21066 4.43183 2.31416 -93.43415 673.59279
6220.0000 -96.70410 -93.78465 2.91945 2.34838 -93.02725 701.92860
6225.0000 -96.55817 -93.44263 3.11554 2.30084 -93.59259 654.83071
6230.0000 -96.97082 -93.69758 3.27325 2.31127 -93.46858 643.58042
6235.0000 -96.15031 -92.87858 3.27172 2.31103 -93.47137 664.91993
6240.0000 -96.20433 -92.24771 3.95662 2.39765 -92.44143 719.97679
6245.0000 -96.46708 -93.10906 3.35802 2.37566 -92.70289 680.44860
6250.0000 -96.84372 -93.53620 3.30752 2.30075 -93.59367 625.01096
FREEZING PROCESS: loop number 26 T-loop= 672.00000000000000
main_MD> interactions number 26 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58623 1.43130 -0.83749
force_rgl> df(natom) 1.12089 0.94472 0.79777
6255.0000 -96.66384 -93.34917 3.31466 2.32224 -93.33814 646.33072
6260.0000 -95.96192 -92.65675 3.30516 2.35038 -93.00354 659.08044
6265.0000 -96.61741 -93.74668 2.87073 2.31983 -93.36671 641.82811
6270.0000 -97.54675 -94.34762 3.19913 2.25847 -94.09630 587.08355
6275.0000 -98.13021 -94.83068 3.29952 2.20114 -94.77796 581.97175
6280.0000 -98.39538 -95.22304 3.17234 2.19206 -94.88599 583.43837
6285.0000 -96.56666 -93.32575 3.24091 2.25105 -94.18462 603.59639
6290.0000 -96.34822 -93.03152 3.31669 2.37584 -92.70073 697.06685
6295.0000 -97.35013 -93.19239 4.15774 2.33341 -93.20530 675.14148
6300.0000 -96.68415 -93.94171 2.74244 2.30754 -93.51283 681.44576
6305.0000 -96.77854 -93.25888 3.51966 2.27004 -93.95882 609.85890
6310.0000 -96.73490 -92.99178 3.74312 2.32371 -93.32067 674.88582
6315.0000 -97.00599 -93.42348 3.58251 2.34426 -93.07628 663.09592
6320.0000 -95.26602 -92.46349 2.80252 2.33149 -93.22811 654.27235
6325.0000 -97.90796 -94.15989 3.74807 2.34521 -93.06501 692.97307
6330.0000 -97.10614 -93.98164 3.12450 2.23129 -94.41951 573.25929
6335.0000 -96.70138 -94.05166 2.64972 2.28284 -93.80652 646.74842
6340.0000 -96.84583 -92.59120 4.25463 2.32878 -93.26029 700.50781
6345.0000 -95.73358 -91.49856 4.23501 2.40184 -92.39163 721.30783
6350.0000 -97.06615 -93.41516 3.65099 2.33135 -93.22983 657.18344
6355.0000 -96.40775 -93.03319 3.37456 2.31002 -93.48335 665.64513
6360.0000 -96.30658 -91.51148 4.79509 2.38629 -92.57653 710.35939
6365.0000 -95.58044 -92.64584 2.93460 2.43373 -92.01249 723.06636
6370.0000 -95.63012 -92.29303 3.33709 2.41025 -92.29163 728.75916
6375.0000 -96.57393 -93.32966 3.24428 2.39050 -92.52644 728.13755
6380.0000 -96.84125 -93.28504 3.55621 2.34677 -93.04645 672.45042
6385.0000 -96.63064 -92.68242 3.94822 2.32299 -93.32915 657.65338
6390.0000 -96.70480 -93.94611 2.75870 2.32517 -93.30327 626.46794
6395.0000 -96.98454 -94.35708 2.62746 2.31227 -93.45665 631.15180
6400.0000 -95.25350 -92.49373 2.75977 2.30600 -93.53115 621.99866
6405.0000 -96.63845 -92.40852 4.22993 2.39426 -92.48179 699.61146
6410.0000 -96.39123 -92.57474 3.81650 2.36125 -92.87424 679.42375
6415.0000 -96.54557 -92.34556 4.20001 2.35908 -92.90006 681.00282
6420.0000 -96.20200 -92.22821 3.97378 2.41527 -92.23194 761.74425
6425.0000 -96.76334 -93.78802 2.97532 2.34047 -93.12137 703.69673
6430.0000 -97.54351 -93.98088 3.56263 2.26337 -94.03802 597.12833
6435.0000 -97.33940 -94.06699 3.27241 2.22416 -94.50423 553.80375
6440.0000 -96.74363 -93.69199 3.05164 2.30693 -93.52017 637.28310
6445.0000 -97.00384 -94.10568 2.89816 2.26816 -93.98117 631.92175
6450.0000 -97.54171 -94.10480 3.43690 2.27319 -93.92130 616.63180
6455.0000 -96.59322 -92.76346 3.82976 2.32207 -93.34007 668.43386
6460.0000 -96.58314 -93.01560 3.56754 2.33281 -93.21236 697.14649
6465.0000 -97.33793 -94.18406 3.15388 2.32345 -93.32375 666.62509
6470.0000 -97.30099 -94.03460 3.26639 2.25641 -94.12080 586.68122
6475.0000 -97.36926 -93.47571 3.89355 2.32556 -93.29859 664.68536
6480.0000 -96.02547 -92.23970 3.78577 2.37694 -92.68766 682.38669
6485.0000 -96.40638 -92.00727 4.39911 2.41632 -92.21943 723.12780
6490.0000 -96.76951 -93.49809 3.27142 2.37281 -92.73686 689.24799
6495.0000 -97.55956 -93.66084 3.89872 2.34172 -93.10646 676.01095
6500.0000 -97.71996 -94.38079 3.33917 2.25018 -94.19487 637.81459
FREEZING PROCESS: loop number 27 T-loop= 647.00000000000000
main_MD> interactions number 27 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.17745 -1.13111 -0.84339
force_rgl> df(natom) -1.18783 2.97384 1.01828
6505.0000 -97.35970 -93.99752 3.36217 2.25217 -94.17123 594.13196
6510.0000 -97.99281 -94.26521 3.72760 2.24794 -94.22152 590.72309
6515.0000 -96.80843 -92.81243 3.99601 2.32637 -93.28905 676.30779
6520.0000 -97.43738 -93.13369 4.30368 2.40251 -92.38363 736.03353
6525.0000 -96.63128 -93.04602 3.58526 2.29433 -93.66995 610.02608
6530.0000 -96.80546 -93.31315 3.49231 2.37132 -92.75453 687.09506
6535.0000 -96.37195 -93.32015 3.05180 2.30270 -93.57042 657.50933
6540.0000 -96.57060 -93.31455 3.25605 2.32662 -93.28607 675.61943
6545.0000 -95.81427 -92.72039 3.09388 2.36981 -92.77244 709.59155
6550.0000 -95.51390 -93.16993 2.34397 2.36130 -92.87371 658.92294
6555.0000 -97.20761 -93.74882 3.45878 2.27847 -93.85851 581.41293
6560.0000 -96.08308 -93.12851 2.95457 2.31296 -93.44841 630.91194
6565.0000 -96.71647 -93.96730 2.74917 2.35614 -92.93508 660.43418
6570.0000 -96.05937 -92.98889 3.07048 2.31220 -93.45745 623.18364
6575.0000 -96.48404 -91.81398 4.67006 2.40235 -92.38560 757.68222
6580.0000 -96.31584 -92.84190 3.47394 2.35786 -92.91456 672.84840
6585.0000 -96.55279 -92.84787 3.70492 2.37689 -92.68832 671.48037
6590.0000 -96.61920 -93.29456 3.32464 2.33357 -93.20341 606.32144
6595.0000 -97.01999 -93.37007 3.64992 2.35204 -92.98377 643.98606
6600.0000 -97.31437 -93.79225 3.52212 2.31450 -93.43009 645.04283
6605.0000 -96.39563 -93.52264 2.87298 2.30429 -93.55152 659.37067
6610.0000 -97.01363 -93.94182 3.07182 2.28617 -93.76693 615.29285
6615.0000 -95.35310 -92.22468 3.12842 2.34399 -93.07952 653.44404
6620.0000 -96.96905 -93.54269 3.42636 2.37325 -92.73162 692.68632
6625.0000 -96.32829 -93.45242 2.87587 2.32278 -93.33167 655.95218
6630.0000 -96.26984 -92.68218 3.58766 2.38125 -92.63648 707.63262
6635.0000 -96.39451 -92.95988 3.43463 2.37657 -92.69212 733.59025
6640.0000 -97.25425 -93.60116 3.65309 2.36918 -92.77999 703.77801
6645.0000 -97.55779 -94.95334 2.60444 2.23526 -94.37231 565.59920
6650.0000 -97.47215 -94.57427 2.89788 2.18814 -94.93252 543.04075
6655.0000 -97.18021 -93.95021 3.23000 2.21912 -94.56416 573.20070
6660.0000 -97.44617 -93.77914 3.66703 2.27482 -93.90195 625.08382
6665.0000 -97.70918 -93.55252 4.15666 2.28232 -93.81271 617.10755
6670.0000 -96.79211 -93.37541 3.41670 2.32188 -93.34241 628.28844
6675.0000 -96.86247 -93.42894 3.43353 2.29983 -93.60456 605.63986
6680.0000 -96.92048 -93.08160 3.83888 2.38312 -92.61417 722.58752
6685.0000 -96.36246 -92.50418 3.85828 2.37963 -92.65573 703.50300
6690.0000 -95.72989 -92.04630 3.68358 2.40231 -92.38603 685.53354
6695.0000 -96.12537 -92.63940 3.48597 2.40247 -92.38418 661.95702
6700.0000 -97.72860 -94.02310 3.70550 2.29678 -93.64081 586.93760
6705.0000 -97.57530 -94.41595 3.15935 2.26276 -94.04529 615.90978
6710.0000 -97.32237 -94.15679 3.16557 2.26100 -94.06630 638.53359
6715.0000 -97.27249 -93.80614 3.46635 2.25038 -94.19257 615.11647
6720.0000 -97.09548 -94.08609 3.00940 2.26003 -94.07773 623.29305
6725.0000 -97.06428 -93.31980 3.74448 2.29243 -93.69259 617.17308
6730.0000 -95.63047 -91.96608 3.66440 2.38380 -92.60608 725.03697
6735.0000 -96.76938 -92.89236 3.87702 2.42020 -92.17330 736.38283
6740.0000 -96.73424 -93.12007 3.61416 2.36290 -92.85466 710.04698
6745.0000 -96.39647 -92.86007 3.53640 2.35561 -92.94128 706.33055
6750.0000 -96.25146 -92.59704 3.65443 2.39695 -92.44984 713.36591
FREEZING PROCESS: loop number 28 T-loop= 622.00000000000000
main_MD> interactions number 28 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50874 3.35151 -2.42674
force_rgl> df(natom) 0.01018 0.61412 -0.81941
6755.0000 -96.21055 -92.46270 3.74785 2.41282 -92.26114 726.15687
6760.0000 -96.79820 -92.63687 4.16132 2.34188 -93.10462 644.43194
6765.0000 -96.97825 -93.90294 3.07531 2.33385 -93.20008 650.93952
6770.0000 -97.19231 -94.61296 2.57936 2.23702 -94.35133 543.92901
6775.0000 -97.47170 -94.75542 2.71628 2.22567 -94.48628 573.89329
6780.0000 -97.77650 -94.98004 2.79646 2.18635 -94.95387 545.74224
6785.0000 -97.60333 -94.59163 3.01170 2.21959 -94.55858 576.38696
6790.0000 -97.48017 -94.59269 2.88748 2.22553 -94.48803 585.44556
6795.0000 -97.46031 -94.01681 3.44350 2.25418 -94.14737 599.18367
6800.0000 -97.45505 -94.56231 2.89274 2.24916 -94.20703 583.95056
6805.0000 -97.30457 -93.57175 3.73282 2.28228 -93.81319 621.43413
6810.0000 -96.79925 -93.50976 3.28949 2.28344 -93.79938 604.14823
6815.0000 -96.99612 -93.37136 3.62477 2.32679 -93.28400 647.47646
6820.0000 -96.11536 -92.41029 3.70507 2.33541 -93.18152 646.35193
6825.0000 -96.55015 -92.66134 3.88881 2.40785 -92.32020 736.41002
6830.0000 -96.51592 -93.25202 3.26390 2.35794 -92.91363 681.58038
6835.0000 -96.72409 -93.72384 3.00025 2.29611 -93.64879 629.23037
6840.0000 -97.77423 -94.96955 2.80468 2.23185 -94.41283 574.99905
6845.0000 -97.70435 -94.43339 3.27095 2.20660 -94.71314 556.05780
6850.0000 -95.94660 -92.72072 3.22587 2.29483 -93.66396 612.48907
6855.0000 -97.33246 -93.97885 3.35361 2.32394 -93.31786 660.29862
6860.0000 -96.56221 -93.71103 2.85118 2.27375 -93.91470 628.36738
6865.0000 -96.69596 -93.58996 3.10600 2.32777 -93.27240 662.50435
6870.0000 -96.64058 -93.25102 3.38956 2.32551 -93.29921 651.01286
6875.0000 -96.54768 -93.50247 3.04522 2.33092 -93.23484 662.88311
6880.0000 -97.26633 -94.06181 3.20452 2.27164 -93.93968 614.29724
6885.0000 -97.40816 -93.71886 3.68930 2.27289 -93.92482 621.37392
6890.0000 -97.41443 -94.01714 3.39729 2.23191 -94.41212 581.50642
6895.0000 -96.90971 -93.54098 3.36873 2.29921 -93.61190 657.14297
6900.0000 -97.93948 -94.91896 3.02053 2.24884 -94.21088 597.36230
6905.0000 -97.20195 -93.57654 3.62541 2.24959 -94.20190 596.75094
6910.0000 -97.51043 -93.94520 3.56522 2.29612 -93.64868 649.04058
6915.0000 -96.68177 -93.39712 3.28465 2.28907 -93.73251 623.39670
6920.0000 -95.87274 -93.27788 2.59486 2.35138 -92.99162 665.46171
6925.0000 -97.08085 -93.91573 3.16512 2.27928 -93.84887 590.36509
6930.0000 -97.52329 -94.33570 3.18759 2.24526 -94.25346 585.87213
6935.0000 -96.58586 -92.91641 3.66945 2.29166 -93.70171 614.26925
6940.0000 -96.00325 -92.39993 3.60332 2.38407 -92.60291 686.70359
6945.0000 -96.96624 -93.49512 3.47112 2.34543 -93.06234 655.16902
6950.0000 -97.25338 -93.86785 3.38554 2.28597 -93.76932 623.61312
6955.0000 -97.63744 -94.02408 3.61336 2.28050 -93.83435 621.18652
6960.0000 -97.79763 -95.04224 2.75539 2.20793 -94.69731 533.37240
6965.0000 -96.59288 -93.89062 2.70226 2.23079 -94.42540 543.58589
6970.0000 -97.50192 -93.63452 3.86740 2.28587 -93.77055 625.27851
6975.0000 -97.05709 -94.18338 2.87371 2.29811 -93.62502 657.78904
6980.0000 -96.91695 -93.37306 3.54389 2.29946 -93.60901 634.00404
6985.0000 -97.04341 -93.89503 3.14838 2.27490 -93.90103 607.18643
6990.0000 -97.90753 -95.99622 1.91131 2.18107 -95.01665 524.23944
6995.0000 -97.87308 -95.37193 2.50115 2.11903 -95.75427 459.93145
7000.0000 -97.76903 -95.00326 2.76577 2.16197 -95.24379 516.09332
FREEZING PROCESS: loop number 29 T-loop= 597.00000000000000
main_MD> interactions number 29 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11486 -1.76308 -0.49958
force_rgl> df(natom) -2.27475 0.01057 1.35272
7005.0000 -96.88756 -92.61673 4.27083 2.24800 -94.22077 589.24965
7010.0000 -95.42597 -91.83708 3.58890 2.36368 -92.84539 705.34557
7015.0000 -96.33069 -92.71751 3.61318 2.40378 -92.36860 725.84309
7020.0000 -96.47879 -93.19838 3.28041 2.32870 -93.26129 621.02172
7025.0000 -97.06336 -93.16353 3.89983 2.34109 -93.11402 673.26992
7030.0000 -97.72952 -93.81416 3.91537 2.31179 -93.46233 679.33804
7035.0000 -97.13377 -94.46207 2.67170 2.26728 -93.99163 649.51027
7040.0000 -97.45188 -94.30260 3.14927 2.27431 -93.90794 617.41807
7045.0000 -97.03419 -94.09247 2.94172 2.22549 -94.48845 573.16886
7050.0000 -96.30872 -93.25858 3.05015 2.29852 -93.62019 577.17373
7055.0000 -97.18773 -93.81473 3.37300 2.34849 -93.02595 674.77656
7060.0000 -98.11111 -95.14036 2.97075 2.23254 -94.40466 535.62578
7065.0000 -96.60770 -93.89276 2.71494 2.22819 -94.45635 546.58652
7070.0000 -97.38729 -94.26084 3.12645 2.24751 -94.22665 590.49546
7075.0000 -96.84839 -93.47662 3.37177 2.27953 -93.84595 633.68142
7080.0000 -97.23565 -93.87937 3.35628 2.25656 -94.11900 578.95981
7085.0000 -97.19791 -93.99883 3.19908 2.27134 -93.94334 604.73386
7090.0000 -97.42385 -93.56526 3.85859 2.31599 -93.41236 665.05447
7095.0000 -97.80664 -94.30417 3.50247 2.25773 -94.10511 611.55476
7100.0000 -97.07011 -94.12423 2.94587 2.22291 -94.51914 542.38055
7105.0000 -96.36292 -92.77791 3.58502 2.35144 -92.99085 649.16768
7110.0000 -96.88244 -92.90085 3.98159 2.36970 -92.77384 666.31954
7115.0000 -97.39536 -94.05172 3.34364 2.31630 -93.40871 638.54120
7120.0000 -97.81500 -94.44325 3.37175 2.24685 -94.23455 597.07154
7125.0000 -97.03588 -94.09821 2.93768 2.24615 -94.24287 590.33159
7130.0000 -96.82684 -93.57478 3.25205 2.28695 -93.75776 643.50777
7135.0000 -97.49108 -93.67721 3.81387 2.29869 -93.61816 647.76485
7140.0000 -96.26269 -93.89314 2.36955 2.29394 -93.67465 642.68204
7145.0000 -98.17584 -95.12978 3.04606 2.22731 -94.46682 584.24942
7150.0000 -98.10373 -94.88637 3.21737 2.20380 -94.74632 570.08042
7155.0000 -97.02226 -93.96787 3.05440 2.27127 -93.94408 625.40845
7160.0000 -97.43294 -93.81675 3.61619 2.27080 -93.94970 627.21154
7165.0000 -97.26148 -93.89689 3.36459 2.27393 -93.91246 613.94526
7170.0000 -96.51362 -92.85442 3.65920 2.32492 -93.30621 647.51198
7175.0000 -95.84746 -91.90367 3.94379 2.39174 -92.51167 708.69650
7180.0000 -96.78878 -93.62711 3.16167 2.39258 -92.50168 707.24684
7185.0000 -96.97856 -93.83457 3.14399 2.28462 -93.78547 658.83685
7190.0000 -97.54184 -94.72117 2.82067 2.22149 -94.53601 566.10388
7195.0000 -97.12812 -94.07907 3.04905 2.23401 -94.38721 583.29161
7200.0000 -96.94871 -93.21141 3.73730 2.31380 -93.43850 627.91580
7205.0000 -98.23590 -93.90441 4.33149 2.30621 -93.52869 642.19425
7210.0000 -97.66485 -94.56576 3.09909 2.24257 -94.28541 600.67836
7215.0000 -97.93755 -94.95874 2.97880 2.20786 -94.69805 557.03741
7220.0000 -97.60530 -94.33113 3.27417 2.22492 -94.49529 592.28744
7225.0000 -98.27189 -95.41556 2.85634 2.19610 -94.83797 551.30526
7230.0000 -97.08141 -93.86609 3.21531 2.24463 -94.26093 557.26091
7235.0000 -98.35455 -95.32425 3.03031 2.21666 -94.59343 578.19250
7240.0000 -97.59729 -95.04851 2.54878 2.16217 -95.24131 540.20024
7245.0000 -97.90194 -95.18842 2.71352 2.21367 -94.62897 581.87573
7250.0000 -98.19000 -94.71956 3.47044 2.19172 -94.89005 546.71466
FREEZING PROCESS: loop number 30 T-loop= 572.00000000000000
main_MD> interactions number 30 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.60571 -0.19138 -3.27902
force_rgl> df(natom) -1.30589 1.14682 -1.41560
7255.0000 -96.87233 -93.92843 2.94389 2.24513 -94.25498 605.38489
7260.0000 -97.80097 -94.73050 3.07047 2.21132 -94.65701 565.58909
7265.0000 -97.59827 -94.58588 3.01239 2.20935 -94.68033 578.68540
7270.0000 -97.81240 -95.07563 2.73677 2.20768 -94.70023 560.50655
7275.0000 -97.26855 -94.61918 2.64937 2.22574 -94.48556 545.62501
7280.0000 -97.74311 -94.71398 3.02913 2.18309 -94.99257 521.68635
7285.0000 -97.55367 -95.11950 2.43417 2.20397 -94.74431 552.47642
7290.0000 -98.01589 -94.72967 3.28622 2.18979 -94.91298 520.07564
7295.0000 -96.79185 -93.74783 3.04402 2.26404 -94.03014 596.96962
7300.0000 -97.54993 -94.20447 3.34546 2.24186 -94.29380 610.58770
7305.0000 -96.46093 -93.22346 3.23747 2.29449 -93.66804 638.03952
7310.0000 -96.97797 -93.61057 3.36739 2.29009 -93.72031 642.11093
7315.0000 -97.11913 -94.06783 3.05130 2.26247 -94.04875 611.65796
7320.0000 -97.40650 -94.53958 2.86692 2.25781 -94.10417 598.31867
7325.0000 -97.83532 -94.62519 3.21013 2.18116 -95.01560 538.46634
7330.0000 -98.32631 -94.96618 3.36013 2.16014 -95.26544 517.53802
7335.0000 -97.81736 -94.74413 3.07324 2.20826 -94.69330 569.26855
7340.0000 -97.65467 -94.35036 3.30431 2.20978 -94.67523 556.89948
7345.0000 -97.56725 -94.18749 3.37977 2.24776 -94.22369 592.30278
7350.0000 -97.54862 -93.98323 3.56539 2.23999 -94.31607 575.63968
7355.0000 -97.64917 -94.16587 3.48330 2.23946 -94.32237 594.92574
7360.0000 -97.15659 -94.31032 2.84627 2.25071 -94.18865 590.43315
7365.0000 -97.80298 -94.42131 3.38167 2.23463 -94.37984 573.93636
7370.0000 -97.29062 -93.86781 3.42281 2.23754 -94.34515 579.15490
7375.0000 -97.51169 -93.76062 3.75108 2.24247 -94.28659 589.74520
7380.0000 -97.50184 -93.99759 3.50424 2.25416 -94.14762 592.93885
7385.0000 -97.78731 -94.25165 3.53566 2.23252 -94.40491 586.66904
7390.0000 -97.11425 -93.59078 3.52347 2.26541 -94.01377 611.62224
7395.0000 -97.93738 -95.25896 2.67842 2.20568 -94.72406 583.57790
7400.0000 -97.61980 -94.63444 2.98536 2.19976 -94.79442 546.38080
7405.0000 -97.53004 -95.26106 2.26898 2.17109 -95.13532 509.40219
7410.0000 -97.35600 -93.80476 3.55124 2.23180 -94.41346 556.10715
7415.0000 -97.94336 -94.91300 3.03036 2.24345 -94.27492 555.99313
7420.0000 -98.38215 -95.07125 3.31090 2.22727 -94.46731 576.33507
7425.0000 -97.90763 -95.12933 2.77830 2.18898 -94.92253 549.16163
7430.0000 -98.16569 -95.46508 2.70062 2.15936 -95.27481 500.40489
7435.0000 -97.43330 -93.93133 3.50197 2.22071 -94.54533 584.55525
7440.0000 -96.90438 -93.65011 3.25427 2.29245 -93.69234 634.71171
7445.0000 -96.08414 -93.37856 2.70558 2.26235 -94.05025 606.02341
7450.0000 -97.02378 -93.74060 3.28318 2.35044 -93.00285 678.31611
7455.0000 -97.05918 -94.13733 2.92185 2.30057 -93.59577 604.60493
7460.0000 -95.64160 -93.32444 2.31715 2.27095 -93.94794 581.88691
7465.0000 -97.09192 -94.25136 2.84056 2.27372 -93.91501 568.97747
7470.0000 -98.37742 -94.96032 3.41710 2.22968 -94.43871 557.84689
7475.0000 -97.49134 -94.58191 2.90943 2.19153 -94.89229 517.44306
7480.0000 -97.79943 -95.34960 2.44983 2.16894 -95.16088 545.20218
7485.0000 -98.16766 -95.69002 2.47764 2.15587 -95.31626 541.94136
7490.0000 -97.61098 -94.85556 2.75542 2.16737 -95.17949 541.79358
7495.0000 -97.49348 -94.79389 2.69959 2.21650 -94.59542 546.24011
7500.0000 -97.32385 -94.92282 2.40103 2.20350 -94.74997 555.21293
FREEZING PROCESS: loop number 31 T-loop= 547.00000000000000
main_MD> interactions number 31 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79660 -0.76491 1.34734
force_rgl> df(natom) 1.33401 -1.01255 3.36122
7505.0000 -97.68672 -94.64743 3.03929 2.22793 -94.45944 573.18154
7510.0000 -98.47007 -94.84875 3.62133 2.23003 -94.43448 562.12666
7515.0000 -97.96573 -95.21049 2.75524 2.14241 -95.47629 520.84756
7520.0000 -96.66439 -92.54947 4.11492 2.25578 -94.12827 600.22694
7525.0000 -97.58310 -94.38998 3.19312 2.27460 -93.90456 618.42170
7530.0000 -98.00133 -95.58203 2.41930 2.17335 -95.10845 497.12998
7535.0000 -97.64933 -95.00671 2.64263 2.14746 -95.41623 480.58886
7540.0000 -97.59659 -95.06783 2.52876 2.17751 -95.05895 509.88341
7545.0000 -97.31912 -95.04116 2.27796 2.13519 -95.56221 451.41080
7550.0000 -97.78784 -94.92016 2.86768 2.15575 -95.31767 499.26178
7555.0000 -96.95664 -93.69702 3.25962 2.28242 -93.81153 602.97664
7560.0000 -96.90840 -93.48323 3.42517 2.27465 -93.90391 598.46324
7565.0000 -97.53735 -94.28965 3.24769 2.25872 -94.09341 598.38837
7570.0000 -96.98071 -93.78901 3.19170 2.27871 -93.85564 619.57186
7575.0000 -97.61921 -94.51770 3.10151 2.24658 -94.23770 600.25132
7580.0000 -97.42367 -95.11220 2.31147 2.19636 -94.83481 541.13794
7585.0000 -98.81424 -95.93983 2.87441 2.17006 -95.14761 523.76681
7590.0000 -97.48156 -94.58134 2.90022 2.13074 -95.61511 512.27702
7595.0000 -98.37714 -95.71178 2.66536 2.15626 -95.31162 529.59009
7600.0000 -98.17158 -95.42996 2.74162 2.15737 -95.29839 504.18699
7605.0000 -97.97959 -95.16194 2.81765 2.18341 -94.98883 514.72384
7610.0000 -98.22015 -95.32685 2.89330 2.17136 -95.13208 499.69416
7615.0000 -97.84392 -95.00141 2.84251 2.15391 -95.33962 501.87506
7620.0000 -97.11957 -93.66107 3.45850 2.25094 -94.18586 602.59103
7625.0000 -97.56253 -94.80849 2.75404 2.22522 -94.49171 570.08838
7630.0000 -98.32403 -94.75452 3.56951 2.20313 -94.75431 577.98719
7635.0000 -97.59561 -94.03495 3.56066 2.21821 -94.57504 577.40818
7640.0000 -97.46914 -94.65325 2.81589 2.23151 -94.41690 575.49801
7645.0000 -98.01699 -95.27803 2.73897 2.18167 -95.00949 504.37492
7650.0000 -98.24962 -95.39171 2.85791 2.14296 -95.46971 490.54103
7655.0000 -97.39241 -95.13362 2.25879 2.17563 -95.08133 525.80180
7660.0000 -98.05166 -95.10430 2.94736 2.17788 -95.05458 525.41300
7665.0000 -98.13305 -95.09061 3.04244 2.17457 -95.09388 536.59635
7670.0000 -97.90836 -94.07088 3.83748 2.21611 -94.60005 567.58248
7675.0000 -97.77958 -94.82634 2.95325 2.21894 -94.56633 591.55228
7680.0000 -98.18855 -93.84168 4.34687 2.24514 -94.25481 583.88139
7685.0000 -97.07590 -94.56269 2.51321 2.26222 -94.05179 612.27017
7690.0000 -98.24522 -95.38658 2.85865 2.17531 -95.08508 511.68151
7695.0000 -97.47638 -94.55768 2.91870 2.18727 -94.94291 538.61881
7700.0000 -96.85088 -94.05956 2.79132 2.22912 -94.44537 555.65143
7705.0000 -97.19001 -94.41051 2.77950 2.22283 -94.52011 585.92998
7710.0000 -98.02237 -94.49894 3.52343 2.18285 -94.99543 528.83066
7715.0000 -97.68274 -94.82834 2.85440 2.20982 -94.67481 582.65307
7720.0000 -96.99279 -93.86340 3.12939 2.26974 -93.96239 632.43525
7725.0000 -97.88792 -95.06844 2.81948 2.26060 -94.07097 587.90195
7730.0000 -97.49683 -94.69591 2.80092 2.18813 -94.93268 533.00955
7735.0000 -96.91574 -93.93019 2.98555 2.24610 -94.24339 565.70536
7740.0000 -97.31895 -94.67527 2.64368 2.21891 -94.56668 546.97237
7745.0000 -97.74820 -95.29092 2.45728 2.20778 -94.69901 559.07145
7750.0000 -98.32442 -95.79993 2.52449 2.13388 -95.57778 479.45297
FREEZING PROCESS: loop number 32 T-loop= 522.00000000000000
main_MD> interactions number 32 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08364 -3.50281 0.76810
force_rgl> df(natom) -1.72516 -0.24507 1.59947
7755.0000 -98.43715 -95.83082 2.60634 2.12816 -95.64576 469.91156
7760.0000 -98.42032 -96.08463 2.33569 2.13270 -95.59175 457.84614
7765.0000 -97.34567 -94.70180 2.64388 2.13984 -95.50687 493.05440
7770.0000 -97.37301 -94.51844 2.85457 2.18468 -94.97377 552.54214
7775.0000 -97.36149 -94.69868 2.66281 2.23045 -94.42951 563.94822
7780.0000 -97.92398 -95.61535 2.30863 2.17500 -95.08885 516.29818
7785.0000 -97.43947 -95.23818 2.20129 2.16440 -95.21487 502.59474
7790.0000 -97.15932 -94.34975 2.80957 2.18745 -94.94078 530.29636
7795.0000 -98.27010 -95.42663 2.84347 2.21159 -94.65376 536.08446
7800.0000 -97.74284 -94.88840 2.85444 2.20028 -94.78823 548.76711
7805.0000 -98.25937 -95.27012 2.98925 2.17131 -95.13269 517.29046
7810.0000 -97.97784 -95.42760 2.55024 2.15051 -95.38000 507.65425
7815.0000 -98.21925 -95.53442 2.68483 2.14696 -95.42225 510.19434
7820.0000 -98.21432 -94.71607 3.49825 2.16252 -95.23725 518.70150
7825.0000 -98.21951 -95.00117 3.21834 2.18829 -94.93074 567.64615
7830.0000 -97.22876 -94.20198 3.02678 2.19408 -94.86192 550.12322
7835.0000 -98.00775 -95.05155 2.95620 2.19137 -94.89419 520.92094
7840.0000 -97.71192 -94.29567 3.41625 2.21207 -94.64800 569.14056
7845.0000 -97.14920 -93.91614 3.23306 2.24130 -94.30047 590.38401
7850.0000 -97.68596 -94.53662 3.14934 2.24328 -94.27700 589.75555
7855.0000 -97.78242 -95.17833 2.60409 2.19920 -94.80106 531.13521
7860.0000 -97.72369 -94.89760 2.82610 2.19914 -94.80183 544.73510
7865.0000 -97.73426 -95.22827 2.50598 2.14420 -95.45501 503.22843
7870.0000 -98.36272 -95.92498 2.43774 2.12122 -95.72832 472.29655
7875.0000 -97.71091 -95.01032 2.70059 2.14729 -95.41833 518.99780
7880.0000 -98.29957 -95.61958 2.67999 2.15589 -95.31602 542.87476
7885.0000 -97.98130 -94.54527 3.43603 2.16249 -95.23750 554.16626
7890.0000 -98.86120 -95.46191 3.39929 2.16826 -95.16899 583.98705
7895.0000 -97.65125 -95.29440 2.35684 2.14415 -95.45564 504.62067
7900.0000 -98.11891 -95.41201 2.70690 2.15815 -95.28913 505.24921
7905.0000 -98.33400 -95.79871 2.53529 2.16238 -95.23886 542.49739
7910.0000 -97.69244 -95.34111 2.35133 2.13240 -95.59539 484.46853
7915.0000 -97.82001 -94.22204 3.59796 2.16809 -95.17092 514.75958
7920.0000 -96.92443 -94.30302 2.62141 2.25498 -94.13785 602.01462
7925.0000 -97.78867 -94.50117 3.28750 2.23971 -94.31942 573.26715
7930.0000 -97.96284 -95.21269 2.75016 2.17858 -95.04625 537.18654
7935.0000 -97.91501 -94.83337 3.08163 2.18541 -94.96500 546.10728
7940.0000 -98.14400 -95.03203 3.11197 2.18245 -95.00023 551.46577
7945.0000 -97.68703 -95.18166 2.50537 2.16752 -95.17778 510.69565
7950.0000 -97.46104 -95.01596 2.44508 2.14658 -95.42670 512.03733
7955.0000 -97.90850 -95.16597 2.74252 2.17354 -95.10619 521.75835
7960.0000 -98.24700 -95.49712 2.74988 2.13560 -95.55724 498.01422
7965.0000 -98.60342 -95.84001 2.76341 2.12386 -95.69690 466.18755
7970.0000 -98.63540 -96.13244 2.50296 2.11637 -95.78589 492.54129
7975.0000 -98.32361 -95.71789 2.60572 2.11253 -95.83157 478.44288
7980.0000 -98.13310 -95.76473 2.36837 2.12113 -95.72928 467.32636
7985.0000 -98.05454 -95.50504 2.54950 2.14709 -95.42064 494.09386
7990.0000 -98.78241 -96.15303 2.62938 2.10866 -95.87762 507.95171
7995.0000 -98.18554 -95.07887 3.10667 2.14149 -95.48725 509.22859
8000.0000 -97.60817 -95.34778 2.26039 2.17869 -95.04490 524.59172
FREEZING PROCESS: loop number 33 T-loop= 497.00000000000000
main_MD> interactions number 33 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.20152 1.03684 1.98155
force_rgl> df(natom) -3.57419 -3.00094 1.29062
8005.0000 -98.11252 -95.55710 2.55541 2.14741 -95.41691 501.08014
8010.0000 -97.62920 -95.17474 2.45446 2.16501 -95.20761 541.46521
8015.0000 -98.15663 -95.33000 2.82663 2.15394 -95.33927 525.49169
8020.0000 -98.54317 -96.44254 2.10063 2.07638 -96.26144 458.24076
8025.0000 -98.86561 -96.61066 2.25496 2.05707 -96.49101 447.31216
8030.0000 -98.62164 -95.89070 2.73094 2.07003 -96.33689 475.66364
8035.0000 -98.79914 -96.27377 2.52537 2.08409 -96.16980 460.46903
8040.0000 -98.20225 -95.91334 2.28892 2.09289 -96.06507 435.58164
8045.0000 -98.82222 -95.44028 3.38194 2.13437 -95.57189 480.48362
8050.0000 -98.32911 -95.06510 3.26401 2.13252 -95.59395 515.35613
8055.0000 -97.76303 -95.33346 2.42957 2.15434 -95.33451 538.54801
8060.0000 -98.13921 -95.60439 2.53482 2.18532 -94.96612 528.88682
8065.0000 -97.79587 -95.04488 2.75099 2.13063 -95.61635 463.71474
8070.0000 -98.02296 -95.78048 2.24248 2.17639 -95.07228 528.46955
8075.0000 -97.85170 -94.90707 2.94464 2.14738 -95.41722 508.12754
8080.0000 -97.50390 -94.90078 2.60311 2.18382 -94.98389 527.81135
8085.0000 -97.93966 -95.44328 2.49637 2.17939 -95.03666 516.01041
8090.0000 -98.69939 -96.39587 2.30352 2.11111 -95.84853 478.78972
8095.0000 -98.17172 -95.57433 2.59739 2.08594 -96.14777 452.63413
8100.0000 -98.08589 -95.49881 2.58708 2.14025 -95.50195 502.47087
8105.0000 -97.65539 -94.89319 2.76220 2.18852 -94.92807 556.37716
8110.0000 -98.12409 -95.23745 2.88664 2.15656 -95.30807 514.46026
8115.0000 -97.23828 -94.52823 2.71005 2.18230 -95.00200 524.28717
8120.0000 -97.62889 -94.64091 2.98798 2.21063 -94.66512 554.10242
8125.0000 -98.40974 -95.92713 2.48261 2.13819 -95.52651 514.01605
8130.0000 -98.28773 -95.47618 2.81156 2.12026 -95.73969 503.96262
8135.0000 -97.93950 -95.20429 2.73521 2.17227 -95.12127 534.92256
8140.0000 -97.57931 -94.41189 3.16742 2.19464 -94.85526 566.38713
8145.0000 -98.31856 -95.72057 2.59798 2.13937 -95.51241 493.33589
8150.0000 -97.97652 -95.48863 2.48789 2.12757 -95.65279 486.80161
8155.0000 -97.93576 -95.37415 2.56161 2.11455 -95.80756 465.52747
8160.0000 -97.71725 -95.05601 2.66124 2.15967 -95.27104 498.97603
8165.0000 -98.29710 -95.86729 2.42981 2.12902 -95.63554 463.44697
8170.0000 -98.20612 -95.82546 2.38066 2.11731 -95.77474 483.68873
8175.0000 -98.73881 -96.26611 2.47270 2.11883 -95.75670 472.84325
8180.0000 -98.58028 -96.50092 2.07936 2.06477 -96.39950 442.55600
8185.0000 -98.91582 -96.29579 2.62003 2.07339 -96.29693 465.98589
8190.0000 -98.51584 -95.97369 2.54215 2.07905 -96.22965 453.47894
8195.0000 -98.67637 -96.27892 2.39745 2.06793 -96.36195 459.08431
8200.0000 -98.24051 -95.40499 2.83552 2.11634 -95.78631 502.61517
8205.0000 -98.68936 -95.59612 3.09323 2.13490 -95.56564 527.08074
8210.0000 -98.11595 -95.16846 2.94749 2.13774 -95.53179 514.59168
8215.0000 -97.94353 -95.26500 2.67853 2.15569 -95.31840 522.06666
8220.0000 -98.51710 -95.77992 2.73717 2.12073 -95.73415 493.54330
8225.0000 -98.67564 -95.68916 2.98648 2.13096 -95.61243 487.55282
8230.0000 -98.21451 -94.79978 3.41473 2.19131 -94.89488 544.49707
8235.0000 -98.11245 -95.69695 2.41550 2.15557 -95.31986 530.07693
8240.0000 -98.62259 -95.68680 2.93579 2.08752 -96.12901 464.33080
8245.0000 -98.27287 -95.32955 2.94333 2.13633 -95.54865 477.29697
8250.0000 -97.97521 -95.63511 2.34010 2.13627 -95.54933 498.76067
FREEZING PROCESS: loop number 34 T-loop= 472.00000000000000
main_MD> interactions number 34 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42222 1.97710 -1.58911
force_rgl> df(natom) -0.19925 2.19062 -0.65466
8255.0000 -98.39822 -95.53733 2.86089 2.13888 -95.51831 479.67928
8260.0000 -98.32704 -95.22868 3.09835 2.14104 -95.49262 505.38849
8265.0000 -98.19106 -95.69181 2.49925 2.14547 -95.43996 518.90831
8270.0000 -98.20241 -95.47605 2.72636 2.11236 -95.83367 492.86785
8275.0000 -98.91355 -96.42707 2.48648 2.10506 -95.92039 475.64774
8280.0000 -98.50460 -96.16891 2.33570 2.06540 -96.39203 473.76986
8285.0000 -98.53574 -96.03687 2.49886 2.08708 -96.13418 489.67811
8290.0000 -99.12222 -96.40679 2.71543 2.08012 -96.21697 469.21269
8295.0000 -98.90420 -96.79388 2.11031 2.04250 -96.66422 431.52920
8300.0000 -98.90465 -96.01834 2.88631 2.07821 -96.23966 468.28968
8305.0000 -99.29582 -96.72792 2.56790 2.06454 -96.40224 447.55434
8310.0000 -98.89421 -96.80463 2.08958 2.05442 -96.52257 437.71958
8315.0000 -98.71682 -96.27955 2.43727 2.06541 -96.39181 448.71594
8320.0000 -99.08388 -97.03409 2.04980 2.02784 -96.83855 386.01548
8325.0000 -99.51092 -96.98664 2.52427 2.02800 -96.83666 412.81992
8330.0000 -99.00193 -96.26704 2.73490 2.05502 -96.51534 467.40510
8335.0000 -99.03400 -96.63812 2.39588 2.05039 -96.57049 438.55346
8340.0000 -97.67993 -94.92046 2.75948 2.10742 -95.89234 484.35605
8345.0000 -98.08288 -95.38755 2.69533 2.14739 -95.41709 508.50987
8350.0000 -98.93045 -96.95938 1.97107 2.05715 -96.49013 426.52444
8355.0000 -99.33976 -96.95915 2.38061 2.03226 -96.78604 444.63055
8360.0000 -99.07271 -96.48900 2.58371 2.05173 -96.55449 464.50582
8365.0000 -99.08896 -96.37756 2.71140 2.07689 -96.25534 476.04060
8370.0000 -98.61478 -95.64835 2.96644 2.08866 -96.11536 479.33234
8375.0000 -98.72923 -96.94335 1.78589 2.06861 -96.35383 428.01337
8380.0000 -98.91227 -96.72718 2.18509 2.04417 -96.64443 422.30096
8385.0000 -98.83853 -96.14136 2.69717 2.04996 -96.57555 435.31604
8390.0000 -98.62091 -95.86251 2.75840 2.11244 -95.83270 507.39238
8395.0000 -99.27304 -96.37990 2.89315 2.08188 -96.19606 477.43893
8400.0000 -98.70449 -95.55617 3.14832 2.07382 -96.29190 486.45987
8405.0000 -98.27803 -96.04457 2.23346 2.12533 -95.67944 530.39485
8410.0000 -99.12639 -96.58754 2.53886 2.08701 -96.13507 494.19608
8415.0000 -98.38574 -96.47582 1.90991 2.06765 -96.36519 476.36531
8420.0000 -98.68779 -96.53718 2.15061 2.05098 -96.56343 455.26840
8425.0000 -99.03970 -96.77647 2.26323 2.05329 -96.53601 460.16594
8430.0000 -99.21147 -96.98801 2.22346 2.03193 -96.78995 431.06338
8435.0000 -99.25164 -97.19667 2.05498 2.01709 -96.96635 425.43912
8440.0000 -98.68103 -96.67787 2.00317 2.01953 -96.93741 429.03543
8445.0000 -99.40266 -97.19958 2.20308 2.00377 -97.12478 410.24868
8450.0000 -98.92158 -96.78204 2.13954 2.06705 -96.37231 473.86582
8455.0000 -99.44789 -97.07096 2.37693 2.03292 -96.77820 440.60526
8460.0000 -98.44225 -96.10035 2.34190 2.04781 -96.60112 455.03857
8465.0000 -99.07250 -97.10947 1.96303 2.05727 -96.48861 455.18640
8470.0000 -98.73783 -96.31584 2.42199 2.03437 -96.76095 446.48032
8475.0000 -98.68102 -96.34589 2.33514 2.08974 -96.10254 514.03065
8480.0000 -97.45057 -94.95090 2.49967 2.13250 -95.59417 524.38314
8485.0000 -98.21704 -95.31799 2.89905 2.16899 -95.16023 516.33176
8490.0000 -98.25997 -95.70532 2.55464 2.15280 -95.35276 503.25303
8495.0000 -97.87566 -95.22099 2.65467 2.12180 -95.72141 480.75563
8500.0000 -97.19108 -94.97977 2.21131 2.18456 -94.97513 521.33218
FREEZING PROCESS: loop number 35 T-loop= 447.00000000000000
main_MD> interactions number 35 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.03074 0.67735 2.11739
force_rgl> df(natom) -2.02737 -2.84857 2.55001
8505.0000 -97.80721 -95.39563 2.41158 2.15988 -95.26862 500.39979
8510.0000 -98.59201 -95.92809 2.66392 2.12999 -95.62403 484.93270
8515.0000 -98.91101 -96.43349 2.47753 2.07921 -96.22779 462.60336
8520.0000 -98.97756 -96.57564 2.40192 2.03676 -96.73246 420.13621
8525.0000 -98.83629 -96.61931 2.21698 2.05581 -96.50605 447.52010
8530.0000 -99.32819 -96.81281 2.51538 2.07457 -96.28290 480.35857
8535.0000 -98.66166 -96.56703 2.09464 2.02317 -96.89413 427.57469
8540.0000 -99.24335 -96.93746 2.30590 2.02301 -96.89600 417.67489
8545.0000 -98.89862 -96.73787 2.16075 2.03747 -96.72405 428.25392
8550.0000 -99.17382 -97.06173 2.11209 2.04195 -96.67086 439.43346
8555.0000 -99.47632 -97.17887 2.29745 2.00649 -97.09249 402.71904
8560.0000 -98.84545 -97.28203 1.56342 1.98601 -97.33593 368.63481
8565.0000 -99.06771 -97.11668 1.95103 2.01415 -97.00134 405.42046
8570.0000 -98.91542 -96.49244 2.42299 2.04960 -96.57982 445.06036
8575.0000 -99.03688 -96.92609 2.11080 2.06267 -96.42440 469.41011
8580.0000 -99.06396 -97.05484 2.00912 2.00934 -97.05850 386.24305
8585.0000 -99.44680 -97.31582 2.13098 2.00530 -97.10655 397.21581
8590.0000 -98.94313 -96.55300 2.39013 2.00907 -97.06181 385.36840
8595.0000 -98.49128 -96.72654 1.76474 2.04710 -96.60962 440.67879
8600.0000 -98.90270 -96.56738 2.33532 2.03289 -96.77848 404.38592
8605.0000 -98.57397 -95.86671 2.70726 2.10972 -95.86505 464.85084
8610.0000 -98.72872 -96.82212 1.90660 2.09292 -96.06471 447.59140
8615.0000 -98.87155 -96.54107 2.33047 2.04301 -96.65824 437.27582
8620.0000 -99.18794 -96.88474 2.30320 2.04788 -96.60024 454.62973
8625.0000 -98.92712 -96.86340 2.06372 2.01419 -97.00092 418.50819
8630.0000 -99.01816 -96.68764 2.33052 2.03208 -96.78819 435.72178
8635.0000 -99.14422 -97.15078 1.99344 2.02343 -96.89104 421.65200
8640.0000 -98.80624 -95.93547 2.87077 2.06839 -96.35642 454.40984
8645.0000 -98.24780 -96.13348 2.11432 2.08191 -96.19568 446.78299
8650.0000 -98.69701 -96.84553 1.85149 2.06622 -96.38225 437.21866
8655.0000 -98.22504 -95.63398 2.59106 2.07440 -96.28501 466.15776
8660.0000 -98.71866 -96.14926 2.56940 2.11077 -95.85253 521.34535
8665.0000 -99.43189 -96.62487 2.80703 2.06772 -96.36438 462.67913
8670.0000 -98.97256 -96.62121 2.35135 2.03157 -96.79426 438.33711
8675.0000 -98.12485 -95.79735 2.32750 2.07076 -96.32829 468.11336
8680.0000 -99.04636 -96.32235 2.72401 2.10676 -95.90019 511.29473
8685.0000 -99.19193 -96.73825 2.45368 2.08371 -96.17424 491.41566
8690.0000 -98.83406 -96.49258 2.34147 2.04162 -96.67477 442.57912
8695.0000 -99.22540 -96.96780 2.25760 2.02670 -96.85209 432.19830
8700.0000 -99.36559 -97.17203 2.19356 2.00887 -97.06411 417.10671
8705.0000 -99.04082 -97.25161 1.78921 1.98865 -97.30459 389.71017
8710.0000 -98.80782 -96.62976 2.17806 2.04142 -96.67707 451.85896
8715.0000 -99.19228 -96.85072 2.34156 2.02218 -96.90590 422.23280
8720.0000 -99.74629 -97.58530 2.16099 2.00225 -97.14290 414.77895
8725.0000 -98.96686 -96.32859 2.63827 2.01917 -96.94161 433.81556
8730.0000 -99.04625 -96.40526 2.64099 2.06427 -96.40539 471.29355
8735.0000 -98.87363 -96.51831 2.35532 2.05879 -96.47063 459.82896
8740.0000 -98.44858 -96.25518 2.19340 2.09309 -96.06269 492.09162
8745.0000 -98.82965 -96.95784 1.87181 2.03331 -96.77350 432.65034
8750.0000 -98.76408 -96.47703 2.28705 2.04767 -96.60275 461.86692
FREEZING PROCESS: loop number 36 T-loop= 422.00000000000000
main_MD> interactions number 36 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60271 1.89603 0.91573
force_rgl> df(natom) 0.20671 3.82744 1.77988
8755.0000 -98.87149 -96.49825 2.37324 2.01620 -96.97695 423.90434
8760.0000 -99.06770 -96.54705 2.52065 2.03248 -96.78339 435.80679
8765.0000 -99.18045 -96.96097 2.21948 2.05486 -96.51728 459.11352
8770.0000 -99.84107 -97.25017 2.59090 1.99269 -97.25657 407.51249
8775.0000 -98.91684 -97.10981 1.80703 2.00778 -97.07708 410.60810
8780.0000 -99.04751 -97.13879 1.90873 2.01777 -96.95827 426.33095
8785.0000 -99.26032 -97.39865 1.86167 1.99581 -97.21945 398.41347
8790.0000 -99.04529 -97.05178 1.99350 2.02175 -96.91096 416.63143
8795.0000 -99.03326 -97.33821 1.69505 1.99342 -97.24789 378.90275
8800.0000 -99.02709 -96.46791 2.55918 2.05198 -96.55156 436.22765
8805.0000 -98.61353 -96.16064 2.45289 2.07311 -96.30028 456.36766
8810.0000 -98.78246 -96.32322 2.45924 2.06996 -96.33782 451.31724
8815.0000 -99.67803 -97.59423 2.08381 2.03233 -96.78517 415.73413
8820.0000 -99.11952 -96.65449 2.46503 2.00721 -97.08393 392.43057
8825.0000 -98.66866 -96.40690 2.26176 2.04497 -96.63490 434.14520
8830.0000 -98.87395 -96.76766 2.10628 2.05838 -96.47546 415.87668
8835.0000 -98.66368 -96.61232 2.05136 2.03835 -96.71364 387.23914
8840.0000 -98.38995 -96.25244 2.13751 2.05929 -96.46465 402.63534
8845.0000 -98.92145 -96.63791 2.28354 2.07078 -96.32795 423.20062
8850.0000 -99.07166 -96.62046 2.45121 2.07122 -96.32277 455.03101
8855.0000 -98.86638 -96.48440 2.38198 2.06126 -96.44119 418.82422
8860.0000 -98.88986 -96.74377 2.14609 2.06668 -96.37671 429.25953
8865.0000 -97.99296 -96.21921 1.77375 2.08659 -96.13997 449.64781
8870.0000 -99.34649 -97.39600 1.95050 2.02452 -96.87809 368.50349
8875.0000 -98.82885 -96.88379 1.94506 2.02448 -96.87851 389.00008
8880.0000 -98.48120 -96.43525 2.04594 2.04896 -96.58746 415.73904
8885.0000 -98.98883 -96.36379 2.62504 2.05302 -96.53918 414.66278
8890.0000 -98.55977 -97.04920 1.51057 2.03716 -96.72779 403.78046
8895.0000 -98.63718 -96.22415 2.41303 2.06186 -96.43411 411.96533
8900.0000 -98.94792 -96.95916 1.98875 2.04804 -96.59844 422.72387
8905.0000 -98.42376 -96.41336 2.01041 2.04360 -96.65114 439.15810
8910.0000 -98.99735 -96.49060 2.50675 2.05409 -96.52646 447.08264
8915.0000 -99.13425 -97.00190 2.13235 2.02618 -96.85828 423.70131
8920.0000 -99.12535 -97.23507 1.89028 2.00241 -97.14093 396.57081
8925.0000 -99.50580 -97.21128 2.29452 1.98026 -97.40430 384.50731
8930.0000 -99.33542 -97.37161 1.96381 1.98634 -97.33198 378.41925
8935.0000 -99.73781 -97.69957 2.03824 1.97305 -97.49008 376.86418
8940.0000 -99.60154 -97.91036 1.69118 1.97344 -97.48541 383.45919
8945.0000 -99.34166 -97.54089 1.80077 1.95801 -97.66884 369.95582
8950.0000 -99.47883 -97.43967 2.03917 1.98979 -97.29101 402.54611
8955.0000 -99.61021 -97.46517 2.14504 1.97572 -97.45824 367.69288
8960.0000 -98.50047 -96.86662 1.63385 2.04121 -96.67956 435.73012
8965.0000 -99.31573 -96.90855 2.40718 2.03490 -96.75468 428.24644
8970.0000 -99.57898 -97.47077 2.10821 2.02536 -96.86808 423.37268
8975.0000 -98.99100 -97.65593 1.33507 1.97203 -97.50218 377.74010
8980.0000 -99.73188 -97.74994 1.98194 1.94755 -97.79322 354.74808
8985.0000 -99.36787 -97.18155 2.18632 1.97832 -97.42734 385.29561
8990.0000 -99.41400 -97.57128 1.84272 1.99399 -97.24107 392.21535
8995.0000 -98.82819 -96.63981 2.18838 2.04112 -96.68067 428.02880
9000.0000 -99.01932 -96.51396 2.50536 2.05575 -96.50671 441.86807
FREEZING PROCESS: loop number 37 T-loop= 397.00000000000000
main_MD> interactions number 37 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44485 1.10501 -0.03522
force_rgl> df(natom) -0.39985 0.89977 -0.42943
9005.0000 -98.47575 -96.12616 2.34960 2.07907 -96.22947 475.19881
9010.0000 -99.57679 -97.34464 2.23215 2.00762 -97.07900 405.80325
9015.0000 -99.24530 -97.14285 2.10245 1.99107 -97.27576 402.42922
9020.0000 -99.11749 -97.12809 1.98940 1.99811 -97.19208 427.09288
9025.0000 -99.14542 -97.14031 2.00510 1.98777 -97.31503 389.07749
9030.0000 -99.24591 -97.26122 1.98469 1.99231 -97.26106 408.36038
9035.0000 -98.92080 -96.52406 2.39674 1.99771 -97.19680 405.14853
9040.0000 -99.06401 -96.68527 2.37874 2.00780 -97.07685 414.06255
9045.0000 -99.87630 -97.69221 2.18409 1.98485 -97.34979 373.09703
9050.0000 -99.78022 -97.72251 2.05771 1.99668 -97.20906 401.53779
9055.0000 -99.43624 -97.53665 1.89959 1.97256 -97.49590 371.13528
9060.0000 -99.14377 -97.21777 1.92600 2.00430 -97.11841 394.68127
9065.0000 -99.06452 -96.89938 2.16515 2.01924 -96.94086 411.93146
9070.0000 -99.77946 -97.40742 2.37204 1.98825 -97.30936 395.67727
9075.0000 -99.23353 -96.96131 2.27222 1.99278 -97.25540 405.13742
9080.0000 -99.04932 -96.56301 2.48632 2.02208 -96.90711 408.81277
9085.0000 -99.45287 -96.94136 2.51150 2.03263 -96.78162 441.41789
9090.0000 -99.50236 -97.33296 2.16940 1.99505 -97.22844 389.26004
9095.0000 -99.30921 -97.21388 2.09533 2.00532 -97.10637 417.40822
9100.0000 -99.38808 -97.55875 1.82933 1.98002 -97.40720 371.76564
9105.0000 -99.87737 -98.03825 1.83912 1.92873 -98.01696 330.67699
9110.0000 -99.78341 -97.87404 1.90937 1.94786 -97.78961 349.35300
9115.0000 -99.17834 -97.67700 1.50134 1.94948 -97.77026 351.30667
9120.0000 -99.60336 -97.90569 1.69767 1.96597 -97.57422 356.24019
9125.0000 -99.37355 -97.06273 2.31082 1.97752 -97.43688 378.48487
9130.0000 -99.05028 -97.31391 1.73637 1.99360 -97.24565 403.81417
9135.0000 -98.99183 -96.52975 2.46208 2.03002 -96.81269 428.24252
9140.0000 -99.36157 -97.19205 2.16952 2.04634 -96.61855 440.47075
9145.0000 -99.19507 -96.22667 2.96840 2.01591 -96.98037 419.89331
9150.0000 -99.07258 -97.01115 2.06143 2.02801 -96.83651 418.76226
9155.0000 -99.42553 -97.30925 2.11627 2.02146 -96.91438 431.47972
9160.0000 -99.88949 -98.06961 1.81989 1.93473 -97.94570 342.55026
9165.0000 -99.65362 -97.30621 2.34741 1.95068 -97.75607 365.53000
9170.0000 -99.28547 -97.66277 1.62270 1.97303 -97.49024 369.57809
9175.0000 -99.34469 -97.48194 1.86276 1.96182 -97.62351 365.25547
9180.0000 -99.39614 -97.89744 1.49870 1.93533 -97.93855 330.64502
9185.0000 -99.41281 -97.19390 2.21891 1.98430 -97.35627 365.52070
9190.0000 -98.91350 -97.33084 1.58266 1.99377 -97.24367 377.41895
9195.0000 -99.26482 -97.50975 1.75507 1.98722 -97.32158 370.83753
9200.0000 -99.77550 -97.80023 1.97527 1.98609 -97.33499 378.01545
9205.0000 -99.50302 -97.99600 1.50702 1.93575 -97.93359 327.09989
9210.0000 -99.41323 -97.59425 1.81898 1.93836 -97.90250 332.29116
9215.0000 -99.21026 -97.23590 1.97436 1.98517 -97.34588 386.63115
9220.0000 -99.39709 -97.72492 1.67217 1.99171 -97.26822 383.32204
9225.0000 -99.88572 -97.66610 2.21962 1.95958 -97.65017 368.56129
9230.0000 -99.63327 -97.68869 1.94458 1.94913 -97.77451 362.02539
9235.0000 -98.96696 -96.85520 2.11176 1.99456 -97.23429 405.22524
9240.0000 -99.31545 -97.12004 2.19541 1.98268 -97.37556 398.71481
9245.0000 -99.27681 -97.41919 1.85762 2.00923 -97.05982 404.61439
9250.0000 -99.26200 -97.52480 1.73720 1.99738 -97.20080 395.77338
FREEZING PROCESS: loop number 38 T-loop= 372.00000000000000
main_MD> interactions number 38 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37233 -0.62604 -2.06090
force_rgl> df(natom) -0.91756 1.74724 2.02544
9255.0000 -99.29045 -97.71127 1.57919 1.96802 -97.54986 373.23441
9260.0000 -99.59810 -97.34063 2.25747 1.97939 -97.41460 384.01182
9265.0000 -99.28653 -97.08190 2.20463 1.99146 -97.27115 390.92369
9270.0000 -99.42198 -97.24442 2.17756 1.98257 -97.37680 378.30096
9275.0000 -99.32064 -97.65470 1.66594 1.99650 -97.21118 396.19123
9280.0000 -99.16820 -97.34890 1.81930 1.96274 -97.61260 339.48076
9285.0000 -99.73677 -97.33362 2.40316 1.98573 -97.33924 381.97555
9290.0000 -99.16700 -97.37736 1.78964 1.99634 -97.21316 413.81608
9295.0000 -98.72577 -96.96549 1.76029 1.99870 -97.18500 407.69062
9300.0000 -98.56999 -96.73745 1.83254 2.02125 -96.91689 435.80612
9305.0000 -99.03682 -96.98271 2.05411 2.03289 -96.77851 436.00658
9310.0000 -99.28043 -97.15214 2.12829 2.02824 -96.83384 437.50246
9315.0000 -99.15903 -97.60698 1.55205 1.97513 -97.46527 371.30446
9320.0000 -99.29400 -97.58774 1.70626 1.96041 -97.64036 354.78738
9325.0000 -99.54272 -97.95277 1.58995 1.96922 -97.53558 378.73914
9330.0000 -99.54399 -97.86943 1.67456 1.93032 -97.99812 332.45966
9335.0000 -99.81405 -97.84618 1.96788 1.94728 -97.79649 346.82455
9340.0000 -99.04867 -97.20853 1.84014 1.96128 -97.62993 356.27984
9345.0000 -99.61012 -97.55837 2.05176 1.98795 -97.31282 392.05475
9350.0000 -100.04221 -98.40877 1.63344 1.93554 -97.93603 332.01371
9355.0000 -99.76940 -98.03247 1.73692 1.89566 -98.41017 310.50918
9360.0000 -99.83047 -97.77879 2.05167 1.96021 -97.64269 362.76816
9365.0000 -99.69493 -97.79001 1.90492 1.94393 -97.83631 342.29856
9370.0000 -99.69771 -97.54814 2.14957 1.95549 -97.69888 358.23874
9375.0000 -99.21913 -97.49393 1.72521 1.97642 -97.44992 374.26807
9380.0000 -99.35233 -97.16064 2.19169 1.96797 -97.55040 368.30627
9385.0000 -98.80170 -96.85793 1.94377 2.00631 -97.09461 394.55428
9390.0000 -98.98258 -96.52978 2.45280 2.03382 -96.76742 415.03768
9395.0000 -99.41540 -97.12866 2.28673 1.99755 -97.19869 400.90576
9400.0000 -99.36880 -97.19411 2.17469 2.00809 -97.07344 416.15155
9405.0000 -99.24533 -97.34389 1.90144 1.98758 -97.31723 373.58694
9410.0000 -99.48061 -97.47072 2.00989 1.97982 -97.40950 362.40090
9415.0000 -99.43540 -97.69050 1.74490 1.94488 -97.82493 345.36750
9420.0000 -99.92584 -97.93270 1.99315 1.94837 -97.78352 350.28837
9425.0000 -99.26600 -97.30823 1.95777 1.96116 -97.63143 358.86543
9430.0000 -98.89765 -96.73002 2.16763 2.01584 -96.98120 421.86043
9435.0000 -98.91093 -96.98709 1.92385 2.01042 -97.04569 393.05926
9440.0000 -99.55109 -97.40824 2.14285 1.97782 -97.43336 375.28241
9445.0000 -99.91328 -97.99627 1.91702 1.94804 -97.78746 357.88855
9450.0000 -99.59133 -97.80146 1.78987 1.94598 -97.81193 359.55055
9455.0000 -99.31372 -97.46551 1.84821 1.95392 -97.71746 361.53769
9460.0000 -99.29532 -97.64307 1.65224 1.97536 -97.46261 383.69744
9465.0000 -98.45131 -95.94851 2.50279 2.03093 -96.80181 438.56351
9470.0000 -99.22191 -97.02291 2.19900 2.04203 -96.66983 448.48011
9475.0000 -99.15818 -97.20835 1.94983 2.00880 -97.06492 419.56278
9480.0000 -99.29720 -97.17674 2.12046 1.98979 -97.29098 386.67558
9485.0000 -99.70797 -98.03015 1.67782 1.95253 -97.73397 354.20408
9490.0000 -99.91207 -97.73474 2.17733 1.93725 -97.91565 333.83899
9495.0000 -99.50207 -97.69826 1.80381 1.95610 -97.69163 361.36397
9500.0000 -99.74715 -97.97093 1.77621 1.97263 -97.49498 383.12847
FREEZING PROCESS: loop number 39 T-loop= 347.00000000000000
main_MD> interactions number 39 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15374 -0.05409 1.29450
force_rgl> df(natom) 1.71402 -1.75089 0.74896
9505.0000 -100.04092 -98.51697 1.52394 1.90654 -98.28091 303.80762
9510.0000 -99.62346 -98.15948 1.46398 1.90203 -98.33448 298.65286
9515.0000 -99.81788 -98.17077 1.64711 1.91083 -98.22982 317.24812
9520.0000 -99.51398 -97.39629 2.11769 1.95680 -97.68324 359.43518
9525.0000 -99.89551 -97.75111 2.14440 1.96442 -97.59264 370.35905
9530.0000 -100.09919 -98.40700 1.69219 1.91849 -98.13877 317.16362
9535.0000 -99.94379 -98.23083 1.71296 1.89115 -98.46387 292.54317
9540.0000 -99.55738 -97.82424 1.73314 1.93584 -97.93250 342.48167
9545.0000 -99.41282 -97.66995 1.74287 1.92347 -98.07950 330.20220
9550.0000 -99.62885 -97.79534 1.83351 1.92182 -98.09919 326.52056
9555.0000 -99.99273 -98.32176 1.67098 1.92394 -98.07396 341.01036
9560.0000 -99.81004 -98.11968 1.69037 1.92260 -98.08990 322.25926
9565.0000 -99.83772 -97.83797 1.99976 1.92724 -98.03473 330.83940
9570.0000 -99.82953 -97.67955 2.14998 1.94744 -97.79451 352.52107
9575.0000 -99.45089 -96.64955 2.80135 1.98215 -97.38187 399.05166
9580.0000 -98.81015 -97.22693 1.58322 2.01336 -97.01075 394.11024
9585.0000 -99.73771 -97.80052 1.93719 1.97952 -97.41311 364.80444
9590.0000 -99.94354 -98.33351 1.61004 1.94466 -97.82756 351.28627
9595.0000 -99.69745 -97.95968 1.73777 1.91138 -98.22326 315.27382
9600.0000 -99.85090 -97.52798 2.32292 1.94773 -97.79108 360.05546
9605.0000 -99.90364 -97.94051 1.96313 1.94206 -97.85851 340.72714
9610.0000 -99.59364 -97.51895 2.07469 1.94796 -97.78841 360.31695
9615.0000 -99.76321 -97.19017 2.57304 1.98679 -97.32672 402.51767
9620.0000 -99.06972 -97.21171 1.85801 2.01129 -97.03530 415.05545
9625.0000 -99.83130 -97.80214 2.02916 1.97593 -97.45585 384.43801
9630.0000 -99.84217 -98.08390 1.75827 1.93200 -97.97817 332.57525
9635.0000 -99.78667 -97.93546 1.85121 1.92383 -98.07522 328.76532
9640.0000 -99.36342 -97.97386 1.38956 1.94147 -97.86547 344.32096
9645.0000 -99.53471 -98.04006 1.49465 1.93916 -97.89305 342.15248
9650.0000 -99.59874 -97.87979 1.71895 1.94591 -97.81271 345.27951
9655.0000 -99.79547 -98.38495 1.41052 1.93530 -97.93892 342.71043
9660.0000 -99.38781 -97.53462 1.85319 1.92227 -98.09384 322.82186
9665.0000 -99.71450 -97.84455 1.86995 1.97181 -97.50479 385.19648
9670.0000 -99.92415 -98.01310 1.91105 1.93686 -97.92030 349.25616
9675.0000 -99.93296 -97.78621 2.14675 1.93416 -97.95243 341.52683
9680.0000 -99.51462 -97.80749 1.70713 1.91431 -98.18844 319.04023
9685.0000 -99.89917 -98.13892 1.76025 1.93703 -97.91832 340.67293
9690.0000 -99.90349 -98.02357 1.87992 1.93660 -97.92343 341.00797
9695.0000 -100.01487 -98.34611 1.66877 1.93543 -97.93731 340.78404
9700.0000 -99.76809 -98.15172 1.61637 1.90310 -98.32175 301.37873
9705.0000 -99.93016 -97.82827 2.10189 1.94223 -97.85651 345.18653
9710.0000 -99.67541 -98.05732 1.61809 1.95161 -97.74495 351.92017
9715.0000 -99.58284 -97.43187 2.15097 1.94357 -97.84050 354.51612
9720.0000 -99.69106 -97.59212 2.09895 1.94310 -97.84616 333.99587
9725.0000 -100.02592 -98.39225 1.63367 1.93451 -97.94830 338.22892
9730.0000 -100.06712 -98.40777 1.65935 1.89748 -98.38862 299.13107
9735.0000 -99.65486 -97.59169 2.06318 1.91270 -98.20767 315.78329
9740.0000 -99.56924 -97.71920 1.85005 1.95371 -97.71995 362.18758
9745.0000 -99.63808 -97.87400 1.76409 1.93297 -97.96654 334.53196
9750.0000 -99.34341 -97.41165 1.93176 1.96741 -97.55707 375.21681
FREEZING PROCESS: loop number 40 T-loop= 322.00000000000000
main_MD> interactions number 40 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.16760 -2.81526 0.82449
force_rgl> df(natom) -0.80470 4.03365 -0.17669
9755.0000 -99.45090 -97.72432 1.72657 1.95871 -97.66057 357.46307
9760.0000 -100.01928 -98.37996 1.63932 1.90778 -98.26611 310.64175
9765.0000 -100.04035 -98.41520 1.62516 1.89725 -98.39136 303.17251
9770.0000 -99.85511 -98.02494 1.83017 1.91948 -98.12701 328.15622
9775.0000 -100.11216 -98.12208 1.99008 1.92484 -98.06327 324.45765
9780.0000 -99.90280 -97.80700 2.09581 1.92333 -98.08122 329.58501
9785.0000 -99.52385 -97.84829 1.67557 1.94690 -97.80099 350.11729
9790.0000 -99.98661 -98.09369 1.89292 1.91974 -98.12395 325.36128
9795.0000 -99.91169 -97.70715 2.20454 1.94578 -97.81428 350.17888
9800.0000 -99.96368 -98.14449 1.81919 1.95018 -97.76192 358.38288
9805.0000 -99.73472 -98.09390 1.64083 1.92548 -98.05568 328.79442
9810.0000 -99.83194 -98.16287 1.66908 1.93309 -97.96517 330.86453
9815.0000 -99.83196 -98.41201 1.41995 1.89916 -98.36865 302.97948
9820.0000 -100.01278 -98.29944 1.71334 1.90111 -98.34543 296.43924
9825.0000 -99.78448 -98.19409 1.59039 1.92321 -98.08259 323.44450
9830.0000 -100.13491 -98.31567 1.81924 1.91426 -98.18903 317.60602
9835.0000 -99.79605 -98.12692 1.66913 1.91759 -98.14948 318.98693
9840.0000 -100.01683 -98.14889 1.86795 1.91958 -98.12576 317.07687
9845.0000 -99.92694 -98.07488 1.85206 1.91585 -98.17019 322.48078
9850.0000 -99.96380 -98.15203 1.81177 1.93080 -97.99241 333.44909
9855.0000 -99.64598 -97.49167 2.15430 1.94353 -97.84100 351.79616
9860.0000 -99.54767 -97.78443 1.76324 1.97645 -97.44966 389.70410
9865.0000 -99.73940 -97.76423 1.97517 1.94428 -97.83214 351.16788
9870.0000 -100.05695 -98.36785 1.68911 1.92279 -98.08760 331.71678
9875.0000 -100.01764 -98.27843 1.73921 1.90178 -98.33741 301.79964
9880.0000 -99.89271 -98.13264 1.76007 1.91710 -98.15535 319.45748
9885.0000 -100.06773 -98.18598 1.88175 1.92356 -98.07853 326.92861
9890.0000 -100.17455 -98.60118 1.57337 1.88359 -98.55368 288.73960
9895.0000 -99.68042 -97.93049 1.74993 1.89057 -98.47078 295.59748
9900.0000 -99.96162 -98.23271 1.72891 1.91292 -98.20505 322.48788
9905.0000 -99.80063 -98.03427 1.76636 1.91273 -98.20723 327.43088
9910.0000 -100.02406 -98.38858 1.63548 1.90880 -98.25400 309.67070
9915.0000 -99.89453 -98.34385 1.55068 1.90861 -98.25618 302.43296
9920.0000 -99.79238 -97.92761 1.86477 1.91358 -98.19720 317.76271
9925.0000 -99.73212 -97.81942 1.91270 1.92613 -98.04797 336.09133
9930.0000 -99.98493 -98.20189 1.78304 1.93072 -97.99333 349.44408
9935.0000 -99.24997 -97.74961 1.50036 1.92704 -98.03715 326.24144
9940.0000 -99.95177 -97.75816 2.19362 1.94444 -97.83026 354.37054
9945.0000 -99.87629 -98.13831 1.73798 1.94342 -97.84239 354.78518
9950.0000 -99.87320 -97.95112 1.92208 1.92654 -98.04302 324.12985
9955.0000 -99.31698 -97.23135 2.08563 1.96677 -97.56473 369.37756
9960.0000 -99.43329 -97.75102 1.68227 1.95403 -97.71615 359.79950
9965.0000 -99.90707 -97.77299 2.13408 1.95763 -97.67335 360.28059
9970.0000 -99.43377 -97.63032 1.80345 1.94933 -97.77209 347.81828
9975.0000 -100.21772 -98.56134 1.65639 1.91302 -98.20380 316.79215
9980.0000 -99.95299 -98.51959 1.43340 1.88897 -98.48980 289.17590
9985.0000 -99.95684 -98.29732 1.65953 1.89759 -98.38732 304.19532
9990.0000 -99.78821 -98.44524 1.34297 1.91340 -98.19925 318.12018
9995.0000 -99.44160 -98.09663 1.34497 1.91267 -98.20793 304.43782
10000.0000 -99.81887 -98.60441 1.21445 1.90392 -98.31198 301.24906
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 48.3844083 [s].
main_MD> Deallocating global variables
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