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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_17/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_17.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 = 17 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 17 1700
main_MD> Size of nv and nvoiz: 17 1700
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 = 17
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> -5.2515285630524371E-002 -9.5285515749670299E-002 -0.18060320172507507 initial drift of cluster / NP1 for coalescence
init> 0.42470227437678049 0.40668579861574616 0.25824771340893526 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7439444879995756E-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) -3.10179 1.13949 -1.48810
force_rgl> df(natom) 0.55614 0.12341 -0.64909
preparo> THERMALIZATION PROCESS AT 1220.0005892341460
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -34.440997362766694 2.9778345249225953 -37.418831887689286 5.6019052036475401E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1191.0000000000000
main_MD> interactions number 1 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79915 1.45569 -0.08034
force_rgl> df(natom) 0.12522 0.19685 -0.26358
5.0000 -36.17441 -34.18521 1.98919 2.39223 -34.33377 1130.49396
10.0000 -37.40472 -35.35582 2.04890 2.43722 -34.03634 1206.10641
15.0000 -37.34176 -34.59272 2.74904 2.39315 -34.32770 1143.25940
20.0000 -36.65031 -34.39063 2.25968 2.31891 -34.81856 1120.80240
25.0000 -36.44897 -33.22301 3.22597 2.43798 -34.03133 1183.65724
30.0000 -36.51893 -33.22036 3.29857 2.55708 -33.24391 1460.51832
35.0000 -36.71854 -33.87181 2.84674 2.46420 -33.85796 1222.96973
40.0000 -37.04786 -34.56444 2.48342 2.47884 -33.76116 1326.49502
45.0000 -36.33590 -33.01590 3.32000 2.40534 -34.24710 1309.11984
50.0000 -37.34604 -34.51170 2.83433 2.44538 -33.98241 1193.03976
55.0000 -37.58783 -34.96789 2.61993 2.29832 -34.95469 1015.89071
60.0000 -37.99818 -36.27593 1.72225 2.17299 -35.78330 941.56562
65.0000 -37.06157 -33.60492 3.45665 2.21941 -35.47639 1130.47271
70.0000 -37.86579 -34.92747 2.93832 2.36948 -34.48418 1216.03582
75.0000 -36.83260 -33.59867 3.23393 2.50492 -33.58872 1317.70338
80.0000 -36.98116 -35.16701 1.81416 2.39310 -34.32803 1216.11696
85.0000 -37.07269 -34.16827 2.90441 2.36399 -34.52050 1212.84927
90.0000 -37.78280 -35.01538 2.76742 2.34773 -34.62802 1180.58348
95.0000 -36.73541 -33.12084 3.61457 2.36221 -34.53228 1214.29687
100.0000 -36.78201 -34.87467 1.90734 2.42403 -34.12354 1216.46266
105.0000 -36.23639 -33.84152 2.39487 2.39871 -34.29092 1177.33565
110.0000 -36.82685 -33.48084 3.34601 2.40570 -34.24477 1203.00103
115.0000 -36.88650 -33.92212 2.96438 2.48916 -33.69294 1234.13830
120.0000 -37.11740 -34.27922 2.83818 2.47771 -33.76862 1304.54003
125.0000 -36.64693 -34.66957 1.97736 2.42887 -34.09156 1238.97114
130.0000 -37.33599 -33.94225 3.39374 2.46531 -33.85066 1158.83464
135.0000 -36.01393 -33.16293 2.85100 2.54157 -33.34646 1394.86669
140.0000 -36.67283 -33.84051 2.83233 2.54376 -33.33197 1427.51352
145.0000 -36.79254 -34.25301 2.53953 2.42723 -34.10237 1347.82314
150.0000 -37.78740 -35.20371 2.58369 2.28780 -35.02426 1126.06328
155.0000 -37.33181 -35.48494 1.84687 2.29456 -34.97954 1148.07536
160.0000 -37.67549 -34.99538 2.68011 2.31690 -34.83185 1042.14780
165.0000 -35.31617 -33.65217 1.66400 2.33201 -34.73192 1147.49271
170.0000 -36.32465 -33.28665 3.03800 2.53267 -33.40527 1264.28955
175.0000 -36.37114 -33.59175 2.77939 2.51543 -33.51930 1297.55160
180.0000 -37.77698 -34.47975 3.29723 2.56071 -33.21987 1324.39782
185.0000 -38.57541 -35.84051 2.73490 2.29351 -34.98648 1098.67797
190.0000 -37.98377 -35.23639 2.74737 2.23801 -35.35344 1086.00180
195.0000 -36.80398 -34.16629 2.63770 2.29462 -34.97917 1123.87279
200.0000 -36.58123 -34.12765 2.45358 2.51486 -33.52301 1336.34522
205.0000 -36.18074 -34.46227 1.71847 2.40222 -34.26778 1174.72879
210.0000 -38.14807 -35.69367 2.45440 2.24490 -35.30787 1025.92739
215.0000 -38.13928 -35.13197 3.00731 2.18448 -35.70733 934.29030
220.0000 -37.11735 -35.05041 2.06694 2.25755 -35.22423 1044.98483
225.0000 -37.73374 -35.47903 2.25471 2.26503 -35.17479 1055.62592
230.0000 -36.66068 -34.57526 2.08543 2.42564 -34.11289 1193.93347
235.0000 -37.94118 -35.45466 2.48652 2.31496 -34.84469 1065.19357
240.0000 -36.32343 -33.86317 2.46026 2.40324 -34.26103 1153.04977
245.0000 -37.66335 -34.12880 3.53456 2.46481 -33.85395 1234.51321
250.0000 -37.29453 -34.25289 3.04164 2.36263 -34.52947 1108.07409
FREEZING PROCESS: loop number 2 T-loop= 1166.0000000000000
main_MD> interactions number 2 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.47802 -0.37963 1.40442
force_rgl> df(natom) 0.04109 -0.73217 -0.04338
255.0000 -37.65471 -34.55198 3.10273 2.38758 -34.36453 1206.49036
260.0000 -36.50627 -33.77527 2.73100 2.42125 -34.14190 1275.73943
265.0000 -37.24738 -34.72672 2.52066 2.45826 -33.89722 1222.27880
270.0000 -37.75945 -36.48135 1.27810 2.15574 -35.89733 923.26572
275.0000 -37.39154 -34.66407 2.72747 2.17303 -35.78302 909.17973
280.0000 -36.54095 -33.08868 3.45227 2.38774 -34.36347 1188.87024
285.0000 -37.08873 -34.13909 2.94964 2.49148 -33.67763 1369.36367
290.0000 -38.06001 -34.75417 3.30583 2.37686 -34.43545 1200.00525
295.0000 -36.73500 -33.79601 2.93899 2.32228 -34.79627 1168.83282
300.0000 -36.76934 -33.54261 3.22673 2.42778 -34.09878 1262.38473
305.0000 -36.01680 -32.64534 3.37146 2.51120 -33.54724 1363.90080
310.0000 -36.07403 -32.87003 3.20400 2.58286 -33.07347 1372.09238
315.0000 -36.99399 -33.54562 3.44837 2.59421 -32.99842 1358.66987
320.0000 -36.64476 -32.93852 3.70624 2.57844 -33.10266 1329.21181
325.0000 -36.65536 -34.31931 2.33605 2.51521 -33.52070 1288.92929
330.0000 -37.53784 -34.90246 2.63538 2.30561 -34.90648 1190.09134
335.0000 -37.62558 -35.46519 2.16039 2.21153 -35.52851 999.59247
340.0000 -38.20035 -35.91059 2.28977 2.21430 -35.51017 973.31752
345.0000 -38.25638 -36.31548 1.94090 2.13487 -36.03533 985.77395
350.0000 -38.22768 -35.88846 2.33923 2.13399 -36.04113 851.17471
355.0000 -37.89907 -35.24108 2.65799 2.21973 -35.47427 1051.48706
360.0000 -37.75164 -35.35795 2.39369 2.32333 -34.78933 1102.33720
365.0000 -38.03694 -35.61997 2.41697 2.22760 -35.42226 1060.14535
370.0000 -37.20299 -35.13771 2.06529 2.23235 -35.39086 994.62451
375.0000 -37.40801 -35.40219 2.00583 2.13695 -36.02159 938.36983
380.0000 -37.24895 -34.83263 2.41632 2.28995 -35.01002 1060.85813
385.0000 -37.28227 -35.68088 1.60139 2.22405 -35.44575 1030.35233
390.0000 -36.31760 -34.54381 1.77379 2.23861 -35.34944 980.14466
395.0000 -36.87935 -34.10124 2.77811 2.35443 -34.58374 1141.36121
400.0000 -37.44794 -34.76615 2.68180 2.29788 -34.95760 1105.24423
405.0000 -37.08540 -34.58055 2.50485 2.33567 -34.70777 1141.16695
410.0000 -37.42882 -33.79573 3.63309 2.45372 -33.92723 1309.23307
415.0000 -36.11124 -33.68019 2.43105 2.51709 -33.50832 1353.17233
420.0000 -36.89159 -34.27473 2.61686 2.44383 -33.99262 1212.79191
425.0000 -37.76173 -34.48563 3.27609 2.30363 -34.91960 1035.60417
430.0000 -37.61701 -35.56744 2.04958 2.22941 -35.41027 1049.55666
435.0000 -37.96528 -36.53899 1.42629 2.10949 -36.20314 919.97012
440.0000 -36.63134 -35.21811 1.41323 2.13856 -36.01091 933.19645
445.0000 -37.75953 -35.06264 2.69689 2.26803 -35.15495 1091.03921
450.0000 -36.08236 -33.81289 2.26947 2.33496 -34.71241 1143.58673
455.0000 -36.89397 -34.08015 2.81383 2.48349 -33.73045 1333.30195
460.0000 -36.48664 -34.06427 2.42237 2.44916 -33.95742 1307.50862
465.0000 -36.57454 -33.91220 2.66234 2.48619 -33.71260 1294.74934
470.0000 -36.06032 -33.59798 2.46234 2.52197 -33.47602 1343.80040
475.0000 -38.31461 -35.13023 3.18438 2.28257 -35.05884 1156.68305
480.0000 -37.74947 -35.11087 2.63860 2.27143 -35.13246 1078.77261
485.0000 -37.31630 -34.19311 3.12320 2.35587 -34.57422 1166.54406
490.0000 -36.84659 -35.10225 1.74434 2.36858 -34.49016 1205.33507
495.0000 -37.25294 -35.53754 1.71540 2.22959 -35.40909 897.70043
500.0000 -37.04183 -34.75058 2.29125 2.27348 -35.11890 1009.89081
FREEZING PROCESS: loop number 3 T-loop= 1141.0000000000000
main_MD> interactions number 3 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.31951 -0.02831 0.77780
force_rgl> df(natom) 4.13169 0.48306 2.66211
505.0000 -36.01800 -33.96191 2.05609 2.36106 -34.53987 1142.62857
510.0000 -37.63747 -35.06506 2.57241 2.29267 -34.99205 1061.76062
515.0000 -37.08968 -35.11149 1.97819 2.27467 -35.11105 998.74523
520.0000 -38.04643 -35.68129 2.36514 2.21660 -35.49496 1014.26227
525.0000 -37.40715 -34.88136 2.52579 2.26944 -35.14559 1074.08014
530.0000 -37.98860 -34.86628 3.12231 2.38816 -34.36068 1218.13724
535.0000 -37.32629 -35.47437 1.85192 2.18149 -35.72711 1000.97179
540.0000 -37.88436 -34.23843 3.64593 2.31903 -34.81776 1088.80123
545.0000 -38.31902 -35.81828 2.50075 2.31980 -34.81269 1064.85408
550.0000 -37.62026 -35.83224 1.78802 2.26634 -35.16614 1028.59412
555.0000 -38.37689 -36.10344 2.27345 2.12153 -36.12354 904.51375
560.0000 -36.86353 -34.87385 1.98968 2.25846 -35.21820 1068.78828
565.0000 -37.50092 -34.78803 2.71289 2.37051 -34.47742 1250.84407
570.0000 -38.32810 -35.51160 2.81650 2.21745 -35.48935 1044.31311
575.0000 -37.16782 -35.30616 1.86166 2.23027 -35.40459 1047.94943
580.0000 -37.37759 -35.04579 2.33180 2.29169 -34.99849 1054.69936
585.0000 -37.51743 -33.80433 3.71310 2.36867 -34.48956 1185.25578
590.0000 -36.08083 -33.27987 2.80096 2.39801 -34.29558 1194.13513
595.0000 -36.09509 -33.65801 2.43708 2.50370 -33.59679 1358.05850
600.0000 -36.38705 -34.76561 1.62144 2.42252 -34.13357 1185.23859
605.0000 -37.31511 -34.08222 3.23289 2.41613 -34.17579 1285.23973
610.0000 -37.09718 -33.63560 3.46157 2.42734 -34.10167 1210.18277
615.0000 -37.82652 -34.72430 3.10222 2.48241 -33.73756 1322.23556
620.0000 -36.91117 -34.38869 2.52247 2.33656 -34.70185 1167.09229
625.0000 -36.00697 -33.00486 3.00211 2.53949 -33.36019 1270.30126
630.0000 -35.71115 -33.87112 1.84003 2.58111 -33.08501 1390.14528
635.0000 -36.46815 -34.36601 2.10214 2.46482 -33.85387 1169.85492
640.0000 -37.04663 -33.38044 3.66620 2.46125 -33.87746 1266.70120
645.0000 -37.21121 -33.97423 3.23697 2.57301 -33.13857 1394.98862
650.0000 -37.19774 -34.96913 2.22861 2.34012 -34.67835 1128.02265
655.0000 -37.63430 -35.31562 2.31868 2.30186 -34.93129 1135.40265
660.0000 -37.12760 -35.00121 2.12639 2.31806 -34.82415 1094.07846
665.0000 -37.60457 -35.62513 1.97944 2.14830 -35.94651 916.60477
670.0000 -38.31553 -35.88471 2.43082 2.17267 -35.78538 951.52025
675.0000 -37.43000 -35.47399 1.95601 2.19664 -35.62696 1002.29995
680.0000 -36.91025 -34.33008 2.58017 2.24015 -35.33930 1081.20555
685.0000 -37.23322 -35.24438 1.98884 2.22619 -35.43155 960.45758
690.0000 -37.44385 -34.34723 3.09662 2.28286 -35.05689 1078.83578
695.0000 -36.89970 -33.77433 3.12537 2.42527 -34.11538 1237.92889
700.0000 -36.53865 -33.17020 3.36845 2.47717 -33.77223 1353.61412
705.0000 -36.07299 -32.92053 3.15246 2.50166 -33.61029 1353.88859
710.0000 -38.48152 -35.83289 2.64862 2.33248 -34.72880 1201.55486
715.0000 -37.59898 -35.32237 2.27662 2.17734 -35.75457 984.11815
720.0000 -37.28770 -35.33250 1.95519 2.26239 -35.19224 1113.12336
725.0000 -36.51059 -34.21684 2.29375 2.27999 -35.07589 1073.83995
730.0000 -37.29094 -35.00836 2.28258 2.23863 -35.34934 960.78938
735.0000 -38.12605 -35.12811 2.99794 2.29860 -34.95282 1100.51570
740.0000 -37.09588 -34.53199 2.56389 2.26569 -35.17042 1071.49696
745.0000 -37.09047 -34.55568 2.53479 2.44233 -34.00258 1184.78296
750.0000 -35.79229 -34.17815 1.61414 2.41334 -34.19422 1231.15400
FREEZING PROCESS: loop number 4 T-loop= 1116.0000000000000
main_MD> interactions number 4 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87984 4.16155 3.97931
force_rgl> df(natom) 3.54204 -6.76867 -0.70096
755.0000 -37.65417 -34.45380 3.20037 2.48277 -33.73517 1278.64460
760.0000 -36.31806 -33.92679 2.39127 2.37634 -34.43888 1088.82031
765.0000 -35.96311 -33.50988 2.45323 2.51827 -33.50049 1292.02266
770.0000 -36.85818 -34.59649 2.26169 2.43348 -34.06110 1226.12887
775.0000 -37.16813 -34.84772 2.32041 2.38906 -34.35475 1185.24067
780.0000 -38.41915 -35.85312 2.56603 2.28007 -35.07532 1115.24433
785.0000 -37.54550 -36.12964 1.41586 2.17092 -35.79700 967.21317
790.0000 -37.26588 -35.11598 2.14990 2.20285 -35.58591 954.56199
795.0000 -36.82103 -35.03310 1.78793 2.33514 -34.71126 992.88951
800.0000 -36.86882 -34.84307 2.02575 2.39864 -34.29141 1118.20267
805.0000 -37.57919 -34.46809 3.11109 2.33777 -34.69386 1280.63013
810.0000 -37.96258 -36.75282 1.20976 2.12199 -36.12047 939.55273
815.0000 -37.69728 -34.88497 2.81231 2.16859 -35.81239 948.40635
820.0000 -37.83674 -35.26765 2.56909 2.24453 -35.31029 1160.13179
825.0000 -37.38894 -35.72613 1.66282 2.21888 -35.47989 924.63746
830.0000 -38.14290 -36.27312 1.86978 2.13082 -36.06213 898.11147
835.0000 -37.96510 -35.70438 2.26072 2.12426 -36.10547 920.98504
840.0000 -38.04060 -34.91719 3.12340 2.25361 -35.25026 946.14135
845.0000 -37.37049 -34.65084 2.71965 2.32113 -34.80389 1117.78952
850.0000 -36.65183 -33.99088 2.66095 2.42045 -34.14719 1217.15585
855.0000 -36.54954 -33.71779 2.83174 2.54996 -33.29096 1270.76337
860.0000 -38.15731 -35.59913 2.55818 2.36126 -34.53853 1043.36207
865.0000 -36.90715 -33.87999 3.02716 2.34126 -34.67082 1128.17459
870.0000 -37.04331 -34.04959 2.99372 2.43543 -34.04821 1218.56341
875.0000 -36.97818 -34.63235 2.34583 2.49545 -33.65133 1293.94682
880.0000 -37.38381 -35.63137 1.75244 2.22803 -35.41941 1019.46088
885.0000 -37.71605 -35.56927 2.14678 2.21853 -35.48221 1072.51156
890.0000 -38.19553 -35.05235 3.14319 2.24501 -35.30717 1046.34653
895.0000 -38.44230 -36.46939 1.97291 2.18087 -35.73121 881.51316
900.0000 -37.85620 -36.66662 1.18957 2.02121 -36.78677 823.64287
905.0000 -36.95719 -35.46651 1.49068 2.14626 -35.96000 959.86537
910.0000 -37.20249 -34.67050 2.53198 2.31217 -34.86310 1109.53006
915.0000 -36.32390 -33.65290 2.67100 2.44844 -33.96218 1233.75557
920.0000 -36.77850 -34.15687 2.62163 2.49357 -33.66382 1367.30256
925.0000 -37.11928 -34.37303 2.74625 2.43324 -34.06265 1261.85287
930.0000 -38.17599 -36.00188 2.17411 2.30192 -34.93090 1113.56083
935.0000 -38.51034 -36.40483 2.10551 2.22936 -35.41061 1042.31844
940.0000 -38.07472 -35.58826 2.48646 2.17130 -35.79445 1065.88351
945.0000 -37.73303 -34.79248 2.94055 2.31491 -34.84501 1030.04635
950.0000 -37.14123 -33.68189 3.45935 2.44062 -34.01384 1226.30759
955.0000 -36.35532 -34.59920 1.75611 2.44603 -33.97807 1267.07031
960.0000 -37.33050 -34.67215 2.65835 2.38336 -34.39244 1221.56955
965.0000 -36.07247 -34.08812 1.98435 2.39802 -34.29549 1115.72946
970.0000 -35.87144 -33.74500 2.12645 2.51630 -33.51350 1233.67267
975.0000 -35.76979 -33.48800 2.28179 2.49598 -33.64789 1304.68715
980.0000 -36.35207 -33.80910 2.54297 2.53132 -33.41422 1359.45245
985.0000 -37.13271 -34.47108 2.66163 2.32888 -34.75261 1138.11880
990.0000 -37.88217 -35.11632 2.76585 2.34916 -34.61852 1187.79569
995.0000 -37.50000 -34.50177 2.99822 2.25071 -35.26949 996.79491
1000.0000 -37.00432 -33.36923 3.63510 2.50237 -33.60563 1370.13368
FREEZING PROCESS: loop number 5 T-loop= 1091.0000000000000
main_MD> interactions number 5 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04302 4.87970 -6.91498
force_rgl> df(natom) -0.52813 -2.29573 1.57159
1005.0000 -37.73474 -34.90661 2.82813 2.40512 -34.24855 1216.09745
1010.0000 -36.90659 -35.17821 1.72838 2.30075 -34.93864 1085.57764
1015.0000 -37.79966 -35.61214 2.18751 2.21534 -35.50330 926.68800
1020.0000 -36.94875 -34.53380 2.41495 2.32109 -34.80414 1051.89533
1025.0000 -36.24492 -34.49736 1.74756 2.37559 -34.44378 1059.87434
1030.0000 -36.87994 -35.08611 1.79383 2.29907 -34.94974 915.99830
1035.0000 -37.43901 -35.26679 2.17222 2.25014 -35.27322 965.71887
1040.0000 -37.10981 -35.07872 2.03109 2.30454 -34.91358 1078.04281
1045.0000 -36.31965 -33.47441 2.84525 2.40745 -34.23317 1229.48576
1050.0000 -37.34076 -33.94013 3.40062 2.43327 -34.06249 1226.46683
1055.0000 -36.49584 -34.34407 2.15177 2.38412 -34.38743 1198.20994
1060.0000 -37.45963 -35.37590 2.08374 2.35941 -34.55078 1175.91794
1065.0000 -38.18554 -34.88512 3.30042 2.27149 -35.13204 1044.18294
1070.0000 -37.28007 -35.29849 1.98158 2.26792 -35.15570 1067.07527
1075.0000 -37.71538 -35.37835 2.33703 2.27917 -35.08130 1052.42659
1080.0000 -37.91760 -35.68420 2.23340 2.20637 -35.56263 996.39433
1085.0000 -38.03988 -36.30457 1.73531 2.24249 -35.32380 1061.87652
1090.0000 -38.41243 -35.59703 2.81540 2.23394 -35.38035 1062.43185
1095.0000 -37.04479 -35.07438 1.97041 2.21637 -35.49648 1012.38288
1100.0000 -36.09615 -33.40043 2.69572 2.35055 -34.60937 1161.11937
1105.0000 -37.18630 -33.10198 4.08433 2.60311 -32.93960 1498.08757
1110.0000 -37.28420 -34.25347 3.03073 2.42349 -34.12710 1304.78049
1115.0000 -37.26708 -34.82096 2.44612 2.31731 -34.82911 1019.22089
1120.0000 -37.14159 -35.24043 1.90116 2.29219 -34.99522 966.30793
1125.0000 -38.26946 -36.24037 2.02909 2.10082 -36.26045 886.58775
1130.0000 -37.51085 -34.81373 2.69712 2.27928 -35.08058 1096.71869
1135.0000 -37.00585 -34.54382 2.46203 2.33278 -34.72683 1013.77509
1140.0000 -37.17272 -34.80700 2.36572 2.31766 -34.82685 1030.74100
1145.0000 -36.99240 -34.88598 2.10642 2.23958 -35.34303 965.30209
1150.0000 -37.53512 -34.35099 3.18412 2.36474 -34.51554 1209.82950
1155.0000 -36.69277 -34.74295 1.94982 2.31426 -34.84927 1125.60485
1160.0000 -36.70824 -33.60996 3.09828 2.33948 -34.68254 1232.83149
1165.0000 -36.77867 -34.29895 2.47973 2.44764 -33.96746 1213.89546
1170.0000 -36.65479 -35.27428 1.38051 2.39666 -34.30453 1143.40235
1175.0000 -38.61938 -36.09214 2.52723 2.15604 -35.89538 912.69681
1180.0000 -37.92488 -36.24463 1.68026 2.09416 -36.30450 913.07529
1185.0000 -36.59612 -34.44310 2.15302 2.21567 -35.50110 1035.86554
1190.0000 -36.69026 -34.22126 2.46900 2.37828 -34.42605 1165.10407
1195.0000 -37.51873 -35.15993 2.35880 2.32975 -34.74690 1126.49666
1200.0000 -38.30988 -35.76779 2.54209 2.16700 -35.82292 1026.83704
1205.0000 -37.25044 -35.80712 1.44332 2.15848 -35.87926 985.23818
1210.0000 -37.46387 -35.48426 1.97961 2.17218 -35.78868 981.94210
1215.0000 -38.47296 -35.66659 2.80637 2.21814 -35.48478 982.67203
1220.0000 -37.73662 -34.85652 2.88010 2.25997 -35.20821 1108.33340
1225.0000 -36.67181 -33.19601 3.47580 2.45044 -33.94896 1261.80701
1230.0000 -36.75647 -33.62361 3.13286 2.54391 -33.33099 1390.54296
1235.0000 -37.10615 -34.98118 2.12497 2.45556 -33.91506 1243.74243
1240.0000 -37.35861 -34.66877 2.68984 2.30130 -34.93499 1130.60872
1245.0000 -37.22316 -35.27981 1.94335 2.23828 -35.35167 1001.89165
1250.0000 -37.80152 -35.67669 2.12483 2.14083 -35.99590 927.12588
FREEZING PROCESS: loop number 6 T-loop= 1066.0000000000000
main_MD> interactions number 6 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.48446 -6.96018 -3.83287
force_rgl> df(natom) -2.31999 2.64594 0.41469
1255.0000 -38.09056 -35.72277 2.36780 2.19892 -35.61188 1002.83320
1260.0000 -36.97827 -34.52990 2.44837 2.32690 -34.76572 1053.78422
1265.0000 -36.58431 -33.80411 2.78020 2.37466 -34.44999 1123.05236
1270.0000 -36.90378 -34.03628 2.86750 2.48799 -33.70069 1250.31181
1275.0000 -37.24316 -35.52393 1.71924 2.38316 -34.39375 1206.20966
1280.0000 -37.90483 -35.42484 2.47999 2.14050 -35.99809 948.65704
1285.0000 -36.72721 -34.63848 2.08872 2.23128 -35.39795 1082.93611
1290.0000 -35.78379 -33.77332 2.01047 2.45106 -33.94483 1266.12932
1295.0000 -37.41358 -34.92926 2.48432 2.41012 -34.21554 1194.35164
1300.0000 -37.23241 -33.70983 3.52258 2.41369 -34.19190 1177.70910
1305.0000 -36.49627 -34.06934 2.42693 2.40766 -34.23175 1070.49736
1310.0000 -37.04181 -34.37632 2.66549 2.39451 -34.31874 1073.38599
1315.0000 -37.15612 -34.76958 2.38655 2.30937 -34.88165 1114.93836
1320.0000 -37.98386 -34.95197 3.03189 2.31576 -34.83941 1059.57109
1325.0000 -37.55448 -34.69186 2.86263 2.37564 -34.44349 1140.08904
1330.0000 -37.83525 -35.63395 2.20130 2.23358 -35.38268 1038.67039
1335.0000 -38.12286 -35.98815 2.13471 2.25325 -35.25267 1097.39528
1340.0000 -37.45116 -35.54595 1.90521 2.18403 -35.71031 957.92735
1345.0000 -37.67852 -34.96360 2.71492 2.21727 -35.49057 962.50028
1350.0000 -36.18997 -34.27383 1.91614 2.36900 -34.48738 1172.87052
1355.0000 -38.08439 -34.97230 3.11209 2.36575 -34.50886 1220.71161
1360.0000 -38.44987 -36.15898 2.29089 2.17412 -35.77585 961.66912
1365.0000 -37.62464 -35.60003 2.02461 2.15002 -35.93516 909.75003
1370.0000 -38.09065 -35.38802 2.70263 2.15412 -35.90806 936.65916
1375.0000 -37.88261 -35.70148 2.18114 2.25041 -35.27145 1005.64626
1380.0000 -38.26544 -36.13139 2.13405 2.16286 -35.85028 967.92834
1385.0000 -36.94842 -34.52430 2.42411 2.24187 -35.32793 987.99189
1390.0000 -38.49641 -35.96590 2.53051 2.25272 -35.25614 1073.16340
1395.0000 -38.94013 -36.43806 2.50207 2.14328 -35.97970 961.06274
1400.0000 -38.55955 -36.21801 2.34154 2.08628 -36.35658 866.84461
1405.0000 -37.25675 -35.15898 2.09777 2.18941 -35.67475 988.44602
1410.0000 -37.14603 -35.14558 2.00045 2.25078 -35.26903 1112.50593
1415.0000 -37.93292 -34.62950 3.30342 2.29919 -34.94892 1118.76406
1420.0000 -37.56819 -35.11730 2.45089 2.30671 -34.89919 1051.31979
1425.0000 -38.15847 -34.99870 3.15977 2.27769 -35.09108 1058.48811
1430.0000 -37.87691 -36.01534 1.86157 2.11821 -36.14545 939.46165
1435.0000 -36.66951 -34.52288 2.14663 2.27702 -35.09549 1019.99951
1440.0000 -37.51308 -34.96469 2.54839 2.26527 -35.17318 948.34936
1445.0000 -37.14446 -34.69478 2.44968 2.31000 -34.87744 1104.61982
1450.0000 -37.15678 -34.77419 2.38259 2.36767 -34.49617 1197.44724
1455.0000 -36.48353 -33.97787 2.50566 2.37467 -34.44991 1119.47275
1460.0000 -36.46837 -33.14819 3.32018 2.52697 -33.44294 1411.22339
1465.0000 -37.86519 -35.37125 2.49395 2.44512 -33.98410 1290.70456
1470.0000 -37.00816 -35.01743 1.99074 2.23374 -35.38167 1010.97994
1475.0000 -36.71971 -33.87294 2.84676 2.31236 -34.86187 1059.26417
1480.0000 -37.50963 -34.12521 3.38442 2.41763 -34.16587 1252.39140
1485.0000 -36.30285 -34.01684 2.28601 2.39580 -34.31019 1264.02435
1490.0000 -36.32571 -33.46057 2.86514 2.42164 -34.13934 1261.39035
1495.0000 -37.55187 -35.26793 2.28394 2.38504 -34.38132 1241.71379
1500.0000 -36.38831 -34.50421 1.88411 2.31517 -34.84326 1022.03573
FREEZING PROCESS: loop number 7 T-loop= 1041.0000000000000
main_MD> interactions number 7 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.43143 2.93683 -1.39550
force_rgl> df(natom) -3.99516 -0.15895 2.12694
1505.0000 -36.62302 -33.61880 3.00422 2.49403 -33.66074 1373.48773
1510.0000 -37.21175 -35.38361 1.82814 2.35930 -34.55153 1121.53113
1515.0000 -37.52340 -35.50484 2.01856 2.19063 -35.66666 910.44216
1520.0000 -37.32181 -35.57972 1.74209 2.22256 -35.45555 948.97778
1525.0000 -37.18306 -34.84577 2.33729 2.23247 -35.39003 987.54966
1530.0000 -37.41461 -34.72648 2.68813 2.28654 -35.03259 1005.63483
1535.0000 -37.06334 -35.05382 2.00953 2.25993 -35.20849 1115.71763
1540.0000 -36.83134 -34.25687 2.57447 2.33142 -34.73584 1065.10667
1545.0000 -38.21547 -35.93393 2.28154 2.27255 -35.12506 1007.17067
1550.0000 -37.38784 -35.81529 1.57255 2.20013 -35.60388 925.43679
1555.0000 -36.33766 -34.23737 2.10030 2.28310 -35.05531 1021.52515
1560.0000 -38.43982 -36.40433 2.03548 2.35307 -34.59270 1227.12335
1565.0000 -37.98525 -35.97412 2.01113 2.11745 -36.15053 960.61675
1570.0000 -38.31079 -35.72953 2.58126 2.21412 -35.51135 1004.45002
1575.0000 -37.83946 -34.96618 2.87329 2.21995 -35.47283 1077.09117
1580.0000 -37.48624 -35.66580 1.82044 2.24734 -35.29175 1097.91518
1585.0000 -36.48228 -33.97076 2.51151 2.25269 -35.25634 975.03530
1590.0000 -37.31652 -34.66895 2.64758 2.48378 -33.72851 1318.57283
1595.0000 -36.88614 -34.41071 2.47543 2.39863 -34.29150 1261.37100
1600.0000 -37.77953 -34.29297 3.48657 2.42420 -34.12244 1350.02999
1605.0000 -36.42915 -33.38655 3.04261 2.46644 -33.84316 1215.35868
1610.0000 -36.14957 -33.57091 2.57866 2.47948 -33.75694 1342.42992
1615.0000 -36.98194 -34.90734 2.07460 2.34326 -34.65756 1175.04380
1620.0000 -37.80006 -35.00939 2.79067 2.29374 -34.98496 1069.85003
1625.0000 -37.67932 -35.02941 2.64991 2.29413 -34.98237 1084.92839
1630.0000 -36.74093 -34.92464 1.81629 2.40110 -34.27516 1169.13760
1635.0000 -37.51616 -35.27257 2.24359 2.32622 -34.77024 1082.58840
1640.0000 -37.36974 -34.88693 2.48281 2.20745 -35.55548 1023.95560
1645.0000 -38.50151 -35.79310 2.70842 2.26155 -35.19776 1080.95345
1650.0000 -37.21239 -33.70932 3.50306 2.33527 -34.71037 1162.51731
1655.0000 -37.23624 -34.62811 2.60813 2.41599 -34.17668 1242.95732
1660.0000 -37.29319 -35.38134 1.91185 2.31182 -34.86543 1175.25857
1665.0000 -37.72932 -35.50562 2.22370 2.19039 -35.66826 997.93464
1670.0000 -37.52671 -35.54468 1.98202 2.16961 -35.80564 893.98602
1675.0000 -37.51390 -35.44065 2.07325 2.20004 -35.60446 944.99813
1680.0000 -36.60236 -34.15686 2.44550 2.34210 -34.66524 1095.98624
1685.0000 -37.41886 -35.30068 2.11818 2.32439 -34.78233 1086.89733
1690.0000 -37.48019 -35.06606 2.41413 2.29262 -34.99236 1105.19638
1695.0000 -36.93939 -34.66551 2.27388 2.30319 -34.92245 1005.18032
1700.0000 -37.24655 -34.45366 2.79289 2.37157 -34.47042 1066.79427
1705.0000 -37.66054 -35.33461 2.32593 2.39679 -34.30367 1169.31874
1710.0000 -37.50861 -35.67526 1.83336 2.18887 -35.67833 990.84280
1715.0000 -37.98174 -36.20028 1.78146 2.13935 -36.00569 970.99480
1720.0000 -37.40340 -35.31614 2.08726 2.13793 -36.01513 962.77239
1725.0000 -36.68230 -34.31621 2.36608 2.24331 -35.31835 982.30238
1730.0000 -37.91727 -34.88971 3.02756 2.36357 -34.52326 1176.67561
1735.0000 -37.13005 -34.78045 2.34960 2.35049 -34.60975 1182.02761
1740.0000 -37.19979 -35.50501 1.69478 2.30098 -34.93708 1077.00041
1745.0000 -37.46142 -33.81746 3.64396 2.41842 -34.16061 1202.23921
1750.0000 -36.06619 -33.10554 2.96065 2.46637 -33.84365 1226.08074
FREEZING PROCESS: loop number 8 T-loop= 1016.0000000000000
main_MD> interactions number 8 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02586 1.39615 0.76986
force_rgl> df(natom) 0.64142 0.69370 -1.26137
1755.0000 -36.48499 -34.48446 2.00054 2.45489 -33.91953 1214.78330
1760.0000 -37.04516 -34.95217 2.09299 2.32973 -34.74701 995.01164
1765.0000 -36.99198 -34.76035 2.23163 2.39351 -34.32530 1270.22672
1770.0000 -37.67970 -35.56353 2.11617 2.31299 -34.85771 1076.21235
1775.0000 -37.81779 -35.34605 2.47174 2.17999 -35.73704 942.07536
1780.0000 -37.45490 -35.44066 2.01424 2.23887 -35.34771 1002.23470
1785.0000 -38.04037 -35.44086 2.59951 2.30490 -34.91116 1023.37905
1790.0000 -37.80595 -35.26424 2.54171 2.26252 -35.19136 1045.57825
1795.0000 -37.64595 -35.59079 2.05517 2.23923 -35.34536 1004.26672
1800.0000 -36.30708 -34.04757 2.25951 2.21119 -35.53076 1051.59138
1805.0000 -37.94822 -34.67905 3.26916 2.38410 -34.38757 1151.74519
1810.0000 -37.87581 -36.35942 1.51638 2.21925 -35.47746 1023.49183
1815.0000 -37.85381 -36.17574 1.67807 2.11223 -36.18499 894.32284
1820.0000 -37.02322 -35.03862 1.98459 2.22414 -35.44512 1068.92337
1825.0000 -38.55113 -36.01108 2.54005 2.16559 -35.83220 976.17840
1830.0000 -37.62892 -35.96859 1.66033 2.12337 -36.11135 907.77480
1835.0000 -38.10424 -36.01438 2.08985 2.15571 -35.89754 940.09678
1840.0000 -38.12300 -35.64827 2.47472 2.17422 -35.77518 991.07281
1845.0000 -36.87732 -35.10116 1.77616 2.25323 -35.25278 1110.05126
1850.0000 -37.88337 -35.31015 2.57322 2.21022 -35.53718 960.10969
1855.0000 -37.46353 -35.29926 2.16428 2.31465 -34.84670 1112.05795
1860.0000 -37.82820 -35.81658 2.01162 2.28125 -35.06755 1128.79155
1865.0000 -37.44117 -35.68196 1.75921 2.15470 -35.90422 900.13546
1870.0000 -38.09405 -36.18159 1.91245 2.13375 -36.04273 848.42238
1875.0000 -38.02469 -35.86653 2.15816 2.14547 -35.96524 921.17086
1880.0000 -37.74211 -36.11913 1.62297 2.15885 -35.87677 920.55030
1885.0000 -38.33237 -36.01845 2.31392 2.06914 -36.46993 804.47164
1890.0000 -37.75175 -35.30305 2.44870 2.22749 -35.42294 1047.52350
1895.0000 -37.52490 -35.55982 1.96508 2.16762 -35.81880 900.61627
1900.0000 -37.28752 -35.12989 2.15763 2.22183 -35.46041 1009.38885
1905.0000 -37.60443 -34.50801 3.09643 2.26215 -35.19383 1069.51509
1910.0000 -36.61150 -34.48000 2.13150 2.40415 -34.25496 1159.94987
1915.0000 -37.56435 -34.60184 2.96251 2.32468 -34.78038 1120.07689
1920.0000 -37.84466 -36.09309 1.75157 2.26382 -35.18281 1022.84599
1925.0000 -37.64500 -36.01691 1.62809 2.13880 -36.00938 918.39213
1930.0000 -37.66511 -34.81839 2.84672 2.18850 -35.68075 977.23748
1935.0000 -38.56697 -36.96811 1.59886 2.10788 -36.21377 897.29392
1940.0000 -38.69824 -36.02452 2.67372 1.99342 -36.97052 776.36734
1945.0000 -37.47770 -34.40434 3.07336 2.23416 -35.37890 1143.95268
1950.0000 -38.03525 -35.02418 3.01107 2.23740 -35.35745 1061.01244
1955.0000 -37.79689 -35.25969 2.53721 2.29379 -34.98464 1058.21652
1960.0000 -36.27620 -34.27639 1.99982 2.33914 -34.68480 1097.45290
1965.0000 -37.04770 -34.53073 2.51697 2.44336 -33.99576 1147.73635
1970.0000 -36.91293 -34.84232 2.07062 2.40925 -34.22127 1165.76994
1975.0000 -37.96055 -36.02019 1.94037 2.22470 -35.44139 991.40644
1980.0000 -38.07049 -35.49602 2.57447 2.12426 -36.10546 880.37723
1985.0000 -37.62269 -35.72840 1.89429 2.16725 -35.82127 941.56450
1990.0000 -37.56958 -35.84429 1.72529 2.21788 -35.48653 963.05229
1995.0000 -38.17741 -35.94925 2.22816 2.13276 -36.04927 864.54899
2000.0000 -37.65668 -36.12235 1.53433 2.12799 -36.08079 1024.14607
FREEZING PROCESS: loop number 9 T-loop= 991.00000000000000
main_MD> interactions number 9 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54308 -2.26300 4.42177
force_rgl> df(natom) 0.99948 2.78012 -0.12186
2005.0000 -37.27966 -36.35286 0.92681 2.12866 -36.07637 843.13081
2010.0000 -37.66815 -35.55118 2.11697 2.21832 -35.48359 1035.87219
2015.0000 -37.91426 -34.98454 2.92972 2.15335 -35.91313 856.37282
2020.0000 -37.12973 -34.73521 2.39452 2.32088 -34.80552 1155.63263
2025.0000 -37.98359 -35.52487 2.45871 2.22207 -35.45878 1046.37693
2030.0000 -38.42604 -36.86285 1.56319 2.08160 -36.38750 884.56479
2035.0000 -38.62142 -36.05149 2.56992 1.98818 -37.00515 710.51959
2040.0000 -37.54696 -35.79049 1.75647 2.18432 -35.70839 962.22431
2045.0000 -37.99500 -36.41820 1.57680 2.14982 -35.93647 928.21223
2050.0000 -38.22452 -35.49856 2.72596 2.09518 -36.29773 881.79947
2055.0000 -38.15693 -36.01538 2.14155 2.25794 -35.22163 1046.48763
2060.0000 -37.50520 -34.64678 2.85843 2.25952 -35.21122 990.37456
2065.0000 -37.46082 -34.80919 2.65163 2.37523 -34.44620 1172.75735
2070.0000 -37.58855 -35.78387 1.80468 2.24229 -35.32511 1037.67712
2075.0000 -37.50856 -35.44922 2.05934 2.22557 -35.43566 1000.44842
2080.0000 -37.84407 -35.81212 2.03195 2.14699 -35.95522 946.55711
2085.0000 -37.20977 -35.24131 1.96846 2.24556 -35.30351 1074.05084
2090.0000 -37.40926 -34.78285 2.62642 2.25135 -35.26520 961.09746
2095.0000 -38.20021 -36.42819 1.77203 2.19794 -35.61832 989.48746
2100.0000 -37.92408 -36.02265 1.90143 2.11362 -36.17580 893.19581
2105.0000 -38.65496 -36.20617 2.44879 2.08384 -36.37274 880.80799
2110.0000 -37.18088 -35.10706 2.07382 2.07719 -36.41666 867.35921
2115.0000 -37.51568 -35.69002 1.82566 2.18530 -35.70193 1008.69389
2120.0000 -38.23872 -35.63992 2.59880 2.14580 -35.96304 944.56284
2125.0000 -37.69385 -34.51592 3.17792 2.23135 -35.39746 912.00845
2130.0000 -37.58237 -35.99531 1.58707 2.27864 -35.08483 1082.76415
2135.0000 -38.37807 -35.43205 2.94602 2.16636 -35.82714 976.73975
2140.0000 -37.89429 -35.80938 2.08491 2.20207 -35.59105 952.62475
2145.0000 -37.39615 -35.13935 2.25680 2.30002 -34.94345 1142.78915
2150.0000 -37.07784 -35.38343 1.69440 2.27492 -35.10936 1154.04746
2155.0000 -37.77408 -35.48810 2.28597 2.27979 -35.07720 1061.85087
2160.0000 -37.73724 -35.46089 2.27635 2.17611 -35.76266 992.29494
2165.0000 -37.57689 -36.00528 1.57161 2.15186 -35.92301 929.05567
2170.0000 -38.55863 -36.29465 2.26398 2.12075 -36.12868 938.91827
2175.0000 -38.63123 -36.72950 1.90172 2.03611 -36.68825 754.47435
2180.0000 -38.08597 -36.31899 1.76697 2.16980 -35.80439 1013.75084
2185.0000 -38.36803 -36.58319 1.78483 2.07638 -36.42207 853.42234
2190.0000 -37.81818 -35.73906 2.07912 2.11982 -36.13482 920.04786
2195.0000 -38.12188 -36.25408 1.86780 2.12907 -36.07368 932.77644
2200.0000 -38.17133 -35.91733 2.25400 2.14237 -35.98577 980.20648
2205.0000 -38.13471 -36.53265 1.60206 2.11126 -36.19140 917.43362
2210.0000 -37.98744 -35.29328 2.69415 2.18134 -35.72810 996.13939
2215.0000 -36.65455 -34.90849 1.74606 2.28711 -35.02883 1061.12834
2220.0000 -36.88065 -34.68528 2.19537 2.34171 -34.66781 1096.11315
2225.0000 -37.96195 -35.06807 2.89388 2.39075 -34.34356 1167.10334
2230.0000 -37.14453 -34.70253 2.44200 2.28605 -35.03581 1205.86943
2235.0000 -37.33027 -34.87343 2.45684 2.26001 -35.20800 1109.20297
2240.0000 -37.39479 -34.85613 2.53866 2.37685 -34.43549 1185.48450
2245.0000 -36.64576 -34.12677 2.51899 2.34762 -34.62875 1156.67306
2250.0000 -36.69713 -34.64461 2.05251 2.38033 -34.41250 1127.82929
FREEZING PROCESS: loop number 10 T-loop= 966.00000000000000
main_MD> interactions number 10 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.67653 -1.27606 0.98985
force_rgl> df(natom) -0.71304 -1.16014 -2.78981
2255.0000 -36.53277 -33.79153 2.74123 2.37332 -34.45882 1162.74669
2260.0000 -37.39432 -34.66221 2.73211 2.43241 -34.06812 1228.29385
2265.0000 -36.88799 -35.10642 1.78157 2.25768 -35.22336 1021.71628
2270.0000 -38.38438 -35.85113 2.53325 2.17003 -35.80285 919.95419
2275.0000 -38.17280 -36.17380 1.99900 2.11202 -36.18642 861.58377
2280.0000 -37.33098 -34.59260 2.73837 2.21016 -35.53756 961.19933
2285.0000 -36.63801 -33.25636 3.38165 2.49339 -33.66498 1211.12675
2290.0000 -38.15081 -35.93590 2.21492 2.27182 -35.12986 1076.39049
2295.0000 -37.37250 -35.27110 2.10140 2.17324 -35.78163 939.98525
2300.0000 -36.92337 -34.94525 1.97812 2.31417 -34.84986 1048.83547
2305.0000 -38.15757 -36.13521 2.02236 2.21686 -35.49326 1021.11403
2310.0000 -38.49967 -36.57652 1.92315 2.16303 -35.84913 987.45167
2315.0000 -38.10738 -35.38729 2.72009 2.13952 -36.00457 924.24708
2320.0000 -38.07305 -36.03991 2.03315 2.15912 -35.87501 982.39784
2325.0000 -37.67530 -35.83902 1.83629 2.11458 -36.16946 864.00552
2330.0000 -38.00637 -36.09259 1.91378 2.12064 -36.12939 901.94292
2335.0000 -38.07992 -36.09257 1.98735 2.11701 -36.15344 903.42777
2340.0000 -38.45050 -36.78799 1.66251 2.05404 -36.56975 844.91937
2345.0000 -37.67021 -35.61386 2.05635 2.13337 -36.04527 896.07885
2350.0000 -37.23833 -35.13312 2.10521 2.25672 -35.22971 947.61694
2355.0000 -38.32174 -35.15805 3.16369 2.28868 -35.01841 1052.31001
2360.0000 -37.12817 -34.87834 2.24983 2.33267 -34.72759 1106.41089
2365.0000 -36.96679 -34.20059 2.76621 2.33889 -34.68644 1116.84344
2370.0000 -38.36471 -35.81966 2.54505 2.33377 -34.72028 1105.66200
2375.0000 -38.35979 -36.46894 1.89085 2.11197 -36.18671 852.07326
2380.0000 -37.51270 -35.57308 1.93962 2.15271 -35.91738 895.08805
2385.0000 -37.96793 -36.16374 1.80420 2.16316 -35.84830 903.28703
2390.0000 -37.79615 -35.86152 1.93463 2.12768 -36.08284 880.34386
2395.0000 -37.73896 -34.43760 3.30136 2.21320 -35.51745 978.94681
2400.0000 -37.53074 -35.84041 1.69033 2.25125 -35.26588 1062.96451
2405.0000 -38.40051 -35.80448 2.59603 2.16804 -35.81605 871.07720
2410.0000 -38.63886 -36.73422 1.90464 2.09951 -36.26908 915.03025
2415.0000 -39.27112 -37.55772 1.71339 1.92756 -37.40593 686.79538
2420.0000 -38.46830 -36.36178 2.10652 2.02118 -36.78696 789.85162
2425.0000 -37.82419 -36.14678 1.67741 2.14625 -35.96010 939.00336
2430.0000 -37.69165 -36.33400 1.35765 2.13286 -36.04859 905.31431
2435.0000 -37.87508 -36.18061 1.69447 2.06476 -36.49889 879.26053
2440.0000 -37.88654 -35.18761 2.69893 2.20693 -35.55894 981.15599
2445.0000 -38.33450 -36.00841 2.32609 2.19961 -35.60732 1021.56056
2450.0000 -38.14083 -36.23256 1.90827 2.11406 -36.17294 899.94874
2455.0000 -38.80901 -36.18373 2.62528 2.07886 -36.40564 874.49018
2460.0000 -37.72878 -36.16524 1.56354 2.07504 -36.43092 851.68415
2465.0000 -37.76072 -35.76050 2.00022 2.16499 -35.83618 1007.73106
2470.0000 -37.63895 -35.35190 2.28705 2.15161 -35.92466 999.64378
2475.0000 -37.38140 -35.45308 1.92832 2.22126 -35.46416 1045.16575
2480.0000 -37.10465 -35.27872 1.82593 2.32047 -34.80821 1084.86949
2485.0000 -37.46747 -35.59308 1.87439 2.22110 -35.46523 985.67645
2490.0000 -38.21328 -36.04259 2.17070 2.22674 -35.42792 1056.88980
2495.0000 -38.35629 -36.33125 2.02505 2.02650 -36.75181 785.44280
2500.0000 -37.94966 -36.17831 1.77136 2.05648 -36.55360 778.02831
FREEZING PROCESS: loop number 11 T-loop= 941.00000000000000
main_MD> interactions number 11 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80780 -0.46424 2.65332
force_rgl> df(natom) -0.87968 -1.68690 0.80230
2505.0000 -37.71714 -36.05786 1.65928 2.07741 -36.41520 853.13873
2510.0000 -38.08022 -35.11006 2.97016 2.18000 -35.73695 950.74681
2515.0000 -37.07791 -34.77993 2.29798 2.27270 -35.12407 1129.31611
2520.0000 -37.65268 -35.51905 2.13363 2.27917 -35.08130 1044.11261
2525.0000 -37.14566 -35.68795 1.45771 2.26052 -35.20463 991.27292
2530.0000 -37.66839 -35.97207 1.69632 2.20712 -35.55764 1025.34711
2535.0000 -37.33865 -35.47468 1.86397 2.15291 -35.91608 923.39456
2540.0000 -37.62560 -35.32091 2.30469 2.24551 -35.30383 1048.22648
2545.0000 -37.69922 -35.91390 1.78532 2.20984 -35.53967 938.67433
2550.0000 -38.42147 -36.33760 2.08387 2.12950 -36.07085 962.77128
2555.0000 -38.75728 -37.42161 1.33567 2.01125 -36.85264 774.71310
2560.0000 -38.90899 -37.21699 1.69199 1.88568 -37.68284 632.21716
2565.0000 -39.17818 -37.49720 1.68098 1.92916 -37.39540 692.34820
2570.0000 -39.12181 -36.54425 2.57756 1.92271 -37.43803 705.15715
2575.0000 -38.11695 -35.97624 2.14071 2.06921 -36.46943 820.33018
2580.0000 -38.19893 -36.50419 1.69474 2.12298 -36.11393 821.16412
2585.0000 -38.75232 -36.66354 2.08878 2.08924 -36.33698 875.30236
2590.0000 -38.07151 -35.72975 2.34176 2.11139 -36.19056 892.31891
2595.0000 -36.56864 -34.55433 2.01432 2.27599 -35.10230 1013.52955
2600.0000 -37.40638 -34.47372 2.93266 2.27380 -35.11681 1039.02062
2605.0000 -38.05065 -35.52856 2.52209 2.28378 -35.05081 1042.99423
2610.0000 -38.56794 -37.21082 1.35712 2.07782 -36.41251 860.82380
2615.0000 -39.19534 -36.64587 2.54948 2.04606 -36.62253 904.89047
2620.0000 -37.06430 -35.23249 1.83180 2.12381 -36.10845 815.44949
2625.0000 -38.81883 -37.18242 1.63641 2.06473 -36.49907 839.73222
2630.0000 -37.92282 -36.41205 1.51077 2.06174 -36.51884 847.22233
2635.0000 -37.87643 -35.92637 1.95006 2.09563 -36.29477 892.30681
2640.0000 -37.83928 -35.74953 2.08975 2.21130 -35.53001 1053.52900
2645.0000 -38.37698 -36.39306 1.98392 2.12616 -36.09292 897.47921
2650.0000 -38.17450 -36.13737 2.03712 2.15052 -35.93186 933.88723
2655.0000 -37.59878 -35.42044 2.17834 2.14423 -35.97342 868.23443
2660.0000 -38.09362 -36.68100 1.41262 2.21610 -35.49831 931.14173
2665.0000 -38.23846 -35.73790 2.50056 2.07985 -36.39912 846.91220
2670.0000 -37.76848 -34.81548 2.95300 2.22493 -35.43988 1013.26699
2675.0000 -37.63016 -35.07950 2.55065 2.30304 -34.92349 1073.23751
2680.0000 -37.67002 -34.88364 2.78638 2.33091 -34.73924 1150.91076
2685.0000 -37.89509 -36.00649 1.88860 2.15979 -35.87055 891.75710
2690.0000 -38.54881 -36.37108 2.17773 2.13041 -36.06481 823.02231
2695.0000 -38.90091 -37.16867 1.73224 1.99037 -36.99072 747.29495
2700.0000 -38.23435 -36.48123 1.75312 1.98297 -37.03959 758.95719
2705.0000 -38.28465 -35.83672 2.44793 2.14898 -35.94206 965.71145
2710.0000 -37.69251 -35.52401 2.16850 2.17654 -35.75980 979.63850
2715.0000 -37.01901 -35.04778 1.97123 2.26567 -35.17056 1053.34028
2720.0000 -38.37857 -36.25813 2.12044 2.25405 -35.24734 1054.39013
2725.0000 -37.96958 -35.56590 2.40369 2.12410 -36.10653 1019.33169
2730.0000 -38.07854 -35.29141 2.78712 2.24949 -35.27753 1011.53702
2735.0000 -37.36314 -35.02160 2.34154 2.22469 -35.44146 1086.34497
2740.0000 -38.82747 -36.52576 2.30171 2.13441 -36.03836 955.26800
2745.0000 -38.28709 -36.37951 1.90758 2.03865 -36.67151 849.43787
2750.0000 -38.88828 -36.89338 1.99491 2.02971 -36.73060 841.02929
FREEZING PROCESS: loop number 12 T-loop= 916.00000000000000
main_MD> interactions number 12 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92284 -1.41597 0.66360
force_rgl> df(natom) -0.15350 -1.08663 1.08689
2755.0000 -38.89027 -36.97519 1.91508 2.02033 -36.79259 802.28840
2760.0000 -38.84956 -36.71598 2.13358 1.99852 -36.93678 779.95977
2765.0000 -38.43958 -35.96959 2.46999 2.13778 -36.01609 968.90629
2770.0000 -38.06999 -36.00867 2.06132 2.14645 -35.95879 907.00158
2775.0000 -38.52644 -36.53521 1.99123 2.16458 -35.83891 966.39081
2780.0000 -38.61592 -36.80290 1.81302 1.99735 -36.94453 789.89559
2785.0000 -38.67834 -36.73337 1.94497 2.04364 -36.63852 818.31827
2790.0000 -38.06185 -36.15379 1.90806 2.03756 -36.67871 787.52800
2795.0000 -38.18104 -36.75678 1.42427 2.09518 -36.29774 915.97095
2800.0000 -37.54479 -35.20550 2.33928 2.10767 -36.21516 872.31137
2805.0000 -37.63913 -35.41428 2.22485 2.21993 -35.47295 1045.30616
2810.0000 -37.41782 -35.90432 1.51351 2.29033 -35.00750 1038.41526
2815.0000 -38.26298 -36.43623 1.82675 2.14713 -35.95425 898.27447
2820.0000 -37.52933 -35.66189 1.86743 2.13968 -36.00353 984.70027
2825.0000 -37.78212 -35.19417 2.58795 2.25305 -35.25398 1073.10579
2830.0000 -38.43168 -36.48419 1.94749 2.11830 -36.14489 909.07285
2835.0000 -37.90248 -35.80489 2.09759 2.14233 -35.98598 952.01124
2840.0000 -38.26198 -36.35802 1.90396 2.13524 -36.03288 957.05911
2845.0000 -38.08429 -35.94912 2.13517 2.10529 -36.23089 883.87503
2850.0000 -38.37117 -36.42192 1.94925 2.06012 -36.52954 841.74189
2855.0000 -38.52827 -36.19949 2.32878 2.07545 -36.42820 920.57718
2860.0000 -38.05514 -35.69286 2.36228 2.16140 -35.85996 997.80975
2865.0000 -38.25400 -35.74021 2.51379 2.20093 -35.59860 1051.35069
2870.0000 -38.70165 -35.34734 3.35432 2.21539 -35.50297 1050.96013
2875.0000 -38.48262 -36.34100 2.14162 2.17005 -35.80276 1064.15994
2880.0000 -38.51820 -36.32238 2.19582 2.05892 -36.53750 815.95584
2885.0000 -38.21218 -36.04821 2.16397 2.10490 -36.23345 857.32172
2890.0000 -36.94333 -34.76423 2.17910 2.17146 -35.79340 968.18935
2895.0000 -37.48362 -35.02546 2.45816 2.27031 -35.13987 1045.19195
2900.0000 -37.60042 -35.00152 2.59889 2.27611 -35.10151 980.22212
2905.0000 -38.42178 -36.68813 1.73364 2.20912 -35.54444 1011.24907
2910.0000 -38.19288 -36.42349 1.76940 2.08826 -36.34347 894.72247
2915.0000 -37.45323 -35.16810 2.28513 2.16138 -35.86004 916.52248
2920.0000 -38.38004 -36.39455 1.98550 2.20348 -35.58170 958.42038
2925.0000 -38.42281 -36.29428 2.12853 2.07927 -36.40292 850.98707
2930.0000 -38.13520 -35.81467 2.32053 2.07284 -36.44544 830.82085
2935.0000 -38.76940 -36.87832 1.89109 2.09826 -36.27741 885.39221
2940.0000 -38.67803 -36.80855 1.86948 1.99547 -36.95695 791.64207
2945.0000 -38.36452 -35.78008 2.58445 2.04252 -36.64589 828.56790
2950.0000 -37.42613 -35.57896 1.84717 2.09746 -36.28266 910.67193
2955.0000 -37.72245 -35.65605 2.06640 2.16538 -35.83363 911.34096
2960.0000 -37.74148 -35.83789 1.90359 2.13980 -36.00276 839.58837
2965.0000 -37.59769 -35.64124 1.95645 2.21923 -35.47755 1037.73944
2970.0000 -38.26912 -35.87414 2.39498 2.19967 -35.60691 949.07471
2975.0000 -38.15921 -36.43745 1.72176 2.11744 -36.15056 890.11205
2980.0000 -37.78083 -36.57565 1.20518 2.06029 -36.52840 823.56396
2985.0000 -38.31546 -36.36313 1.95233 2.05209 -36.58263 766.15790
2990.0000 -38.05819 -35.99528 2.06291 2.22356 -35.44898 920.10116
2995.0000 -38.85689 -36.69839 2.15849 2.08965 -36.33432 906.59480
3000.0000 -38.67806 -36.75434 1.92373 1.99855 -36.93658 713.88927
FREEZING PROCESS: loop number 13 T-loop= 891.00000000000000
main_MD> interactions number 13 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.38878 0.92953 1.26450
force_rgl> df(natom) 0.99728 -0.19851 0.76704
3005.0000 -37.80247 -35.84003 1.96244 2.10846 -36.20995 901.13461
3010.0000 -38.83648 -36.74412 2.09236 2.09610 -36.29166 902.82869
3015.0000 -38.04013 -36.38235 1.65778 2.06544 -36.49436 871.64103
3020.0000 -38.10142 -36.67742 1.42400 2.07293 -36.44484 831.34049
3025.0000 -37.86100 -35.97757 1.88343 2.09971 -36.26782 860.36345
3030.0000 -37.84207 -36.06594 1.77614 2.13345 -36.04473 923.75490
3035.0000 -38.24012 -35.24395 2.99617 2.13501 -36.03438 923.80239
3040.0000 -38.59031 -36.39046 2.19985 2.16682 -35.82407 1000.78611
3045.0000 -38.60757 -37.16510 1.44247 1.98751 -37.00960 778.47607
3050.0000 -38.59646 -36.91564 1.68082 1.98791 -37.00693 737.63740
3055.0000 -38.78068 -37.30525 1.47543 1.95997 -37.19169 705.43523
3060.0000 -38.32356 -36.54824 1.77532 1.94514 -37.28973 698.41614
3065.0000 -38.01225 -36.13661 1.87564 2.08513 -36.36417 838.87484
3070.0000 -37.55416 -36.34859 1.20557 2.10656 -36.22252 861.49627
3075.0000 -38.32011 -36.77580 1.54431 2.09355 -36.30851 839.01332
3080.0000 -38.57374 -36.94400 1.62974 2.02803 -36.74170 819.39852
3085.0000 -38.00911 -35.95056 2.05855 2.08977 -36.33350 880.52069
3090.0000 -38.18142 -36.12881 2.05261 2.06452 -36.50047 901.70852
3095.0000 -38.04295 -35.31154 2.73141 2.15519 -35.90096 924.02534
3100.0000 -38.55626 -36.05811 2.49815 2.19452 -35.64093 968.44453
3105.0000 -38.34873 -36.24416 2.10456 2.16730 -35.82089 895.72196
3110.0000 -38.90731 -36.86791 2.03940 2.08162 -36.38740 879.07111
3115.0000 -37.74068 -36.04281 1.69787 2.08006 -36.39768 862.82228
3120.0000 -38.65558 -36.47678 2.17881 2.03677 -36.68391 856.92019
3125.0000 -37.34364 -35.23499 2.10865 2.17559 -35.76613 991.36424
3130.0000 -36.82348 -35.51422 1.30926 2.24248 -35.32386 931.00200
3135.0000 -38.06314 -35.93964 2.12350 2.21156 -35.52828 894.94978
3140.0000 -37.39675 -35.42816 1.96859 2.13195 -36.05465 896.51846
3145.0000 -37.46572 -34.64503 2.82068 2.24980 -35.27547 1019.30897
3150.0000 -36.92236 -34.32123 2.60113 2.27705 -35.09532 1038.19421
3155.0000 -37.21264 -35.35963 1.85301 2.32980 -34.74656 1096.11728
3160.0000 -38.53947 -36.44786 2.09161 2.19050 -35.66752 977.88103
3165.0000 -38.34888 -35.61026 2.73862 2.12265 -36.11614 945.01162
3170.0000 -38.45251 -35.99534 2.45717 2.13520 -36.03315 955.46318
3175.0000 -37.08485 -34.69736 2.38749 2.31409 -34.85039 1090.53837
3180.0000 -36.36731 -34.46394 1.90337 2.42866 -34.09291 1142.06385
3185.0000 -36.26665 -34.41956 1.84709 2.33946 -34.68270 1030.26671
3190.0000 -37.98832 -34.48172 3.50660 2.42784 -34.09835 1171.90418
3195.0000 -37.99214 -35.47963 2.51251 2.21839 -35.48314 974.93366
3200.0000 -38.28798 -36.32824 1.95974 2.15165 -35.92441 952.09913
3205.0000 -38.81885 -36.91907 1.89977 2.11511 -36.16594 843.97394
3210.0000 -38.41620 -36.42817 1.98804 2.03636 -36.68664 804.17275
3215.0000 -37.84941 -35.59588 2.25353 2.09755 -36.28205 831.73484
3220.0000 -37.66081 -36.03083 1.62998 2.18734 -35.68844 960.70050
3225.0000 -38.40308 -36.30005 2.10302 2.12256 -36.11669 873.99167
3230.0000 -38.54318 -36.61021 1.93297 2.08898 -36.33875 866.88103
3235.0000 -37.73975 -35.96218 1.77757 2.06237 -36.51468 873.63086
3240.0000 -38.92951 -36.52549 2.40402 2.04923 -36.60156 765.28366
3245.0000 -38.64874 -36.63995 2.00880 2.06524 -36.49569 881.52514
3250.0000 -38.23623 -36.22260 2.01363 2.03399 -36.70229 832.48248
FREEZING PROCESS: loop number 14 T-loop= 866.00000000000000
main_MD> interactions number 14 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.99838 -0.24290 -0.32300
force_rgl> df(natom) 1.46565 -0.16420 -1.78456
3255.0000 -38.06565 -36.40741 1.65824 2.11126 -36.19145 855.79628
3260.0000 -38.22654 -36.19627 2.03027 2.03755 -36.67875 821.12886
3265.0000 -37.86462 -36.28056 1.58407 2.11326 -36.17824 844.05127
3270.0000 -38.86901 -37.35056 1.51845 1.96616 -37.15079 721.24004
3275.0000 -37.52313 -35.80532 1.71781 2.06350 -36.50718 859.62032
3280.0000 -37.63413 -36.01787 1.61626 2.18084 -35.73137 923.29466
3285.0000 -38.27670 -36.17019 2.10651 2.14625 -35.96009 890.04544
3290.0000 -38.60642 -37.26448 1.34194 2.02640 -36.75250 744.58202
3295.0000 -38.54774 -36.81601 1.73173 2.02965 -36.73100 818.48023
3300.0000 -37.81571 -35.92372 1.89198 2.12366 -36.10947 945.67671
3305.0000 -37.33298 -35.63463 1.69835 2.23691 -35.36072 1000.74197
3310.0000 -38.09183 -35.89197 2.19986 2.17141 -35.79374 964.65951
3315.0000 -38.41621 -36.08012 2.33609 2.11569 -36.16212 908.31118
3320.0000 -38.28847 -36.90245 1.38602 2.06180 -36.51846 829.80909
3325.0000 -38.87122 -36.73458 2.13664 1.96672 -37.14707 750.65175
3330.0000 -38.53233 -36.09944 2.43288 2.02763 -36.74438 828.81559
3335.0000 -38.09495 -36.05455 2.04041 2.10822 -36.21154 949.15952
3340.0000 -38.48111 -36.00185 2.47926 2.16223 -35.85447 949.46107
3345.0000 -37.80970 -35.42997 2.37973 2.16434 -35.84048 932.20791
3350.0000 -39.14787 -37.39454 1.75332 2.03003 -36.72850 758.14992
3355.0000 -38.49712 -36.16107 2.33605 2.02138 -36.78568 804.39400
3360.0000 -38.51569 -36.70853 1.80716 2.03171 -36.71739 836.99497
3365.0000 -38.34188 -36.51097 1.83091 2.01440 -36.83184 773.05352
3370.0000 -38.77447 -36.51772 2.25676 2.02117 -36.78709 791.19365
3375.0000 -38.24926 -36.31491 1.93435 2.09483 -36.30005 903.55758
3380.0000 -38.02185 -35.97244 2.04941 2.15794 -35.88281 956.01229
3385.0000 -37.87825 -35.74266 2.13559 2.18126 -35.72861 887.76070
3390.0000 -38.71769 -36.13028 2.58741 2.20275 -35.58655 956.86730
3395.0000 -37.94894 -36.19243 1.75651 2.09536 -36.29655 891.64419
3400.0000 -37.85995 -36.04151 1.81843 2.08135 -36.38916 825.85241
3405.0000 -38.24191 -35.74079 2.50112 2.20310 -35.58421 1027.85628
3410.0000 -37.86057 -36.23403 1.62654 2.17740 -35.75418 941.70982
3415.0000 -38.17937 -35.69599 2.48338 2.17173 -35.79161 1008.01471
3420.0000 -37.11901 -35.78926 1.32975 2.07778 -36.41276 736.53927
3425.0000 -37.98189 -36.07967 1.90222 2.18831 -35.68201 926.05761
3430.0000 -38.36809 -35.90038 2.46771 2.09743 -36.28288 870.49483
3435.0000 -37.66538 -36.36350 1.30188 2.13537 -36.03206 881.35085
3440.0000 -38.56115 -37.02787 1.53328 2.05542 -36.56063 842.77343
3445.0000 -38.17546 -36.35850 1.81696 2.11928 -36.13840 885.90107
3450.0000 -37.66973 -34.92477 2.74496 2.22189 -35.45997 1016.20493
3455.0000 -37.41046 -35.03474 2.37573 2.35834 -34.55783 1162.85144
3460.0000 -37.82852 -36.35557 1.47295 2.14894 -35.94231 885.60403
3465.0000 -38.01604 -36.44515 1.57089 2.05586 -36.55771 728.58130
3470.0000 -38.86450 -37.06023 1.80428 2.08132 -36.38936 800.11745
3475.0000 -39.02856 -37.58075 1.44781 1.95701 -37.21123 723.80015
3480.0000 -38.89302 -36.96811 1.92491 1.97116 -37.11771 724.25394
3485.0000 -38.01003 -36.22903 1.78100 1.94277 -37.30539 706.76837
3490.0000 -38.96633 -37.09656 1.86977 2.09637 -36.28989 827.22112
3495.0000 -39.02684 -36.75504 2.27180 1.99987 -36.92790 796.09613
3500.0000 -37.70366 -35.69546 2.00819 2.10451 -36.23606 852.39822
FREEZING PROCESS: loop number 15 T-loop= 841.00000000000000
main_MD> interactions number 15 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86103 0.36482 3.53790
force_rgl> df(natom) -4.08062 0.67060 -0.57660
3505.0000 -38.31442 -36.36618 1.94824 2.10719 -36.21835 898.13275
3510.0000 -37.74927 -35.49002 2.25925 2.13983 -36.00252 950.47618
3515.0000 -38.45525 -35.60576 2.84949 2.21000 -35.53864 1014.30776
3520.0000 -38.30446 -36.22805 2.07641 2.09508 -36.29842 909.05723
3525.0000 -38.55934 -36.80196 1.75738 2.02865 -36.73762 793.76607
3530.0000 -38.38155 -36.63135 1.75020 2.04227 -36.64752 817.75433
3535.0000 -38.56142 -36.36646 2.19496 2.05805 -36.54325 818.49049
3540.0000 -38.89599 -36.84392 2.05207 2.07482 -36.43237 883.09168
3545.0000 -38.45160 -36.61088 1.84071 2.07029 -36.46231 819.23035
3550.0000 -38.76608 -36.18869 2.57739 2.09894 -36.27287 943.75677
3555.0000 -38.36039 -36.39501 1.96538 2.04049 -36.65934 861.10258
3560.0000 -38.04613 -36.51271 1.53342 2.07994 -36.39851 884.54504
3565.0000 -39.27096 -36.78817 2.48279 2.01103 -36.85407 786.48834
3570.0000 -38.42703 -36.75803 1.66900 2.00592 -36.88789 808.07283
3575.0000 -38.21258 -36.86957 1.34301 2.00701 -36.88070 762.10152
3580.0000 -38.33086 -36.10835 2.22252 1.98872 -37.00157 739.94689
3585.0000 -38.59782 -36.73016 1.86766 2.11011 -36.19905 937.44477
3590.0000 -38.71451 -36.83906 1.87545 2.02770 -36.74388 818.69888
3595.0000 -38.42646 -36.56089 1.86556 2.04861 -36.60562 862.82091
3600.0000 -37.92136 -36.29655 1.62481 2.04102 -36.65582 822.35989
3605.0000 -38.53101 -36.53664 1.99437 2.08859 -36.34134 849.68000
3610.0000 -37.61128 -36.00992 1.60136 2.07283 -36.44550 799.59946
3615.0000 -37.87858 -36.37220 1.50638 2.09804 -36.27885 898.82809
3620.0000 -37.86152 -35.47950 2.38202 2.14775 -35.95015 931.14138
3625.0000 -38.35501 -36.04418 2.31083 2.17486 -35.77093 964.56509
3630.0000 -38.16160 -36.64052 1.52108 2.11263 -36.18239 901.45075
3635.0000 -38.21546 -36.49699 1.71847 2.06370 -36.50588 845.73187
3640.0000 -38.99370 -37.57086 1.42284 2.02728 -36.74668 816.21246
3645.0000 -37.65218 -36.16130 1.49088 1.96567 -37.15399 715.75908
3650.0000 -38.78394 -36.82864 1.95530 2.09528 -36.29706 871.29445
3655.0000 -38.39375 -36.70945 1.68430 2.01239 -36.84509 777.89973
3660.0000 -38.60843 -36.16562 2.44281 2.01519 -36.82658 764.52039
3665.0000 -38.35726 -36.27106 2.08619 2.05747 -36.54704 821.75496
3670.0000 -38.45830 -36.83025 1.62805 1.97475 -37.09395 761.40824
3675.0000 -38.92478 -37.27913 1.64565 1.95810 -37.20405 760.23968
3680.0000 -38.01996 -36.57559 1.44437 2.05529 -36.56150 810.57454
3685.0000 -38.19086 -36.55360 1.63726 2.01441 -36.83172 781.28162
3690.0000 -38.08234 -36.37995 1.70239 2.01949 -36.79816 749.00783
3695.0000 -39.13387 -37.13406 1.99981 2.03892 -36.66971 860.47358
3700.0000 -38.30117 -37.03602 1.26516 1.99957 -36.92988 700.15993
3705.0000 -38.11983 -36.74233 1.37749 2.07192 -36.45150 770.13450
3710.0000 -38.64342 -36.60044 2.04298 2.01247 -36.84459 770.91902
3715.0000 -38.66832 -36.46164 2.20668 2.05429 -36.56805 846.79684
3720.0000 -37.78552 -36.17415 1.61136 2.14320 -35.98024 956.83074
3725.0000 -37.85314 -36.13248 1.72066 2.09914 -36.27158 855.77690
3730.0000 -38.04459 -36.19884 1.84575 2.10519 -36.23153 853.79737
3735.0000 -37.98040 -36.61534 1.36506 2.12333 -36.11163 894.37784
3740.0000 -38.00657 -36.83719 1.16938 2.03423 -36.70074 795.03465
3745.0000 -38.42656 -36.98975 1.43681 2.04584 -36.62393 819.61613
3750.0000 -38.04357 -36.57993 1.46364 2.03756 -36.67869 792.98622
FREEZING PROCESS: loop number 16 T-loop= 816.00000000000000
main_MD> interactions number 16 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.52961 1.00225 1.41933
force_rgl> df(natom) -0.68655 3.76693 -2.27410
3755.0000 -37.90508 -35.48455 2.42053 2.12450 -36.10392 920.19090
3760.0000 -38.23667 -36.36482 1.87185 2.15117 -35.92756 883.45794
3765.0000 -38.78971 -36.77837 2.01134 2.08809 -36.34463 869.78024
3770.0000 -38.36484 -37.04696 1.31789 2.00901 -36.86743 765.18529
3775.0000 -38.15307 -36.69309 1.45998 1.98431 -37.03076 712.50230
3780.0000 -38.40751 -36.50317 1.90434 2.11475 -36.16833 864.72650
3785.0000 -38.14901 -36.88671 1.26230 2.05134 -36.58760 835.03756
3790.0000 -38.66815 -35.83952 2.82863 2.04886 -36.60396 829.09494
3795.0000 -38.88781 -37.00758 1.88023 2.09523 -36.29744 868.04237
3800.0000 -38.48482 -36.34299 2.14183 2.02897 -36.73546 798.88430
3805.0000 -38.27802 -36.36452 1.91350 2.09023 -36.33046 833.69638
3810.0000 -38.73631 -37.38926 1.34705 2.08376 -36.37323 797.26609
3815.0000 -38.58375 -37.33273 1.25102 1.94693 -37.27788 659.45039
3820.0000 -38.13816 -36.60394 1.53422 2.01163 -36.85015 812.86528
3825.0000 -39.15939 -37.36229 1.79711 2.02496 -36.76200 794.66975
3830.0000 -38.39951 -36.74065 1.65886 1.99849 -36.93698 751.10591
3835.0000 -38.17124 -36.02995 2.14129 2.07426 -36.43607 830.90802
3840.0000 -38.93770 -36.99019 1.94751 2.06081 -36.52497 821.21226
3845.0000 -38.31468 -36.56197 1.75271 2.03605 -36.68870 840.19367
3850.0000 -38.26946 -36.48073 1.78874 2.02381 -36.76960 866.84300
3855.0000 -38.52117 -36.59443 1.92674 2.03257 -36.71171 822.66973
3860.0000 -38.44143 -36.53422 1.90721 2.09234 -36.31652 874.74076
3865.0000 -39.08797 -37.11356 1.97441 2.00078 -36.92188 775.16810
3870.0000 -37.86344 -36.29374 1.56970 2.01603 -36.82101 796.60315
3875.0000 -38.47646 -36.23798 2.23848 2.08375 -36.37331 861.43452
3880.0000 -38.68621 -36.33868 2.34753 2.11384 -36.17436 973.97012
3885.0000 -38.29266 -36.83521 1.45745 2.08985 -36.33299 811.74006
3890.0000 -38.90782 -37.44057 1.46725 1.99983 -36.92815 758.22119
3895.0000 -37.92381 -36.69250 1.23132 1.97088 -37.11956 723.57737
3900.0000 -38.58167 -37.27179 1.30988 1.98293 -37.03986 707.22257
3905.0000 -37.96359 -36.04230 1.92130 2.03318 -36.70763 786.94700
3910.0000 -38.33997 -36.58688 1.75310 2.11889 -36.14099 860.08922
3915.0000 -37.78887 -35.61169 2.17718 2.15540 -35.89960 889.63706
3920.0000 -38.25177 -36.31682 1.93496 2.15878 -35.87724 883.16443
3925.0000 -38.40708 -36.92372 1.48336 2.04734 -36.61403 820.81858
3930.0000 -39.14546 -37.59016 1.55531 1.91858 -37.46532 644.69423
3935.0000 -39.16395 -37.90355 1.26040 1.93905 -37.32996 725.58374
3940.0000 -38.81165 -36.68348 2.12817 1.91900 -37.46255 686.08742
3945.0000 -38.64269 -37.02219 1.62050 2.00183 -36.91494 801.57893
3950.0000 -38.28641 -36.87539 1.41102 1.98634 -37.01735 784.05039
3955.0000 -38.87672 -37.06466 1.81206 2.02035 -36.79251 848.44618
3960.0000 -38.16632 -36.86339 1.30293 2.05454 -36.56645 878.65966
3965.0000 -38.45174 -37.28002 1.17172 1.94756 -37.27373 671.48868
3970.0000 -38.51610 -36.59431 1.92179 1.98245 -37.04307 756.61318
3975.0000 -38.68840 -37.10579 1.58261 2.03439 -36.69965 783.49811
3980.0000 -39.02132 -37.57124 1.45008 1.96197 -37.17847 711.23164
3985.0000 -38.69549 -36.86589 1.82960 2.00457 -36.89679 785.56309
3990.0000 -38.83911 -37.36081 1.47830 1.95434 -37.22890 727.22860
3995.0000 -38.61406 -36.24877 2.36529 2.05477 -36.56494 731.17989
4000.0000 -38.00611 -36.25130 1.75481 2.09581 -36.29359 884.44352
FREEZING PROCESS: loop number 17 T-loop= 791.00000000000000
main_MD> interactions number 17 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.63885 0.16920 0.17442
force_rgl> df(natom) -2.23861 -0.58493 -1.51932
4005.0000 -38.55454 -36.98694 1.56760 2.05969 -36.53235 863.21446
4010.0000 -38.90431 -37.84523 1.05907 1.96392 -37.16560 737.03115
4015.0000 -38.80430 -37.07876 1.72554 1.97235 -37.10982 765.38224
4020.0000 -38.70747 -37.56761 1.13987 1.94352 -37.30043 679.83712
4025.0000 -38.61987 -36.96077 1.65910 1.96514 -37.15749 729.02453
4030.0000 -38.44031 -36.21399 2.22632 2.05122 -36.58836 867.96461
4035.0000 -38.11571 -36.34480 1.77091 2.05886 -36.53790 822.41307
4040.0000 -38.57890 -36.72274 1.85616 2.05834 -36.54130 778.35778
4045.0000 -38.37785 -36.43176 1.94610 2.04413 -36.63525 819.67366
4050.0000 -38.62200 -36.72210 1.89989 2.02367 -36.77050 787.18666
4055.0000 -37.97834 -35.66397 2.31437 2.05922 -36.53548 857.18945
4060.0000 -38.51480 -36.64393 1.87087 2.11021 -36.19835 889.57600
4065.0000 -38.81922 -37.25688 1.56234 2.07736 -36.41554 844.02882
4070.0000 -38.67978 -36.11274 2.56705 2.09757 -36.28195 987.07760
4075.0000 -38.36962 -36.42080 1.94882 2.05510 -36.56274 813.78560
4080.0000 -38.29779 -36.11734 2.18045 2.04865 -36.60535 800.58055
4085.0000 -38.08601 -35.96764 2.11837 2.10231 -36.25063 865.21451
4090.0000 -37.62513 -35.34444 2.28069 2.16713 -35.82207 968.11864
4095.0000 -39.15908 -36.54338 2.61569 2.13353 -36.04417 915.46527
4100.0000 -37.76019 -36.51524 1.24494 2.03449 -36.69900 850.70834
4105.0000 -38.52389 -37.16082 1.36307 2.03917 -36.66808 780.71916
4110.0000 -39.05337 -37.40823 1.64514 1.92939 -37.39386 712.91065
4115.0000 -38.53261 -36.32458 2.20802 1.98013 -37.05842 775.39009
4120.0000 -38.19084 -36.31060 1.88023 2.08250 -36.38160 857.71393
4125.0000 -37.33904 -35.50326 1.83577 2.20057 -35.60098 1013.21083
4130.0000 -37.94296 -35.99326 1.94970 2.16747 -35.81983 951.14962
4135.0000 -39.12133 -37.53995 1.58138 2.01147 -36.85120 779.40082
4140.0000 -38.40317 -36.75404 1.64913 1.91906 -37.46215 687.41444
4145.0000 -37.53183 -36.36300 1.16884 2.04329 -36.64080 787.88044
4150.0000 -39.21258 -37.72945 1.48312 1.96019 -37.19025 707.51036
4155.0000 -39.27365 -37.26500 2.00865 1.88056 -37.71672 628.60471
4160.0000 -38.72687 -37.01278 1.71409 1.97243 -37.10931 736.06097
4165.0000 -38.90788 -37.27880 1.62908 1.94146 -37.31406 726.59750
4170.0000 -38.89738 -37.44691 1.45046 1.93479 -37.35818 680.03390
4175.0000 -38.68598 -37.41749 1.26850 1.93262 -37.37253 624.43622
4180.0000 -37.52720 -35.84449 1.68271 2.03460 -36.69827 713.31073
4185.0000 -37.96099 -35.96984 1.99115 2.12512 -36.09981 892.66087
4190.0000 -38.52646 -36.36447 2.16199 2.17554 -35.76641 964.67964
4195.0000 -37.78660 -36.50919 1.27741 2.07084 -36.45868 846.81124
4200.0000 -38.77933 -37.50381 1.27553 1.99027 -36.99138 799.45720
4205.0000 -38.82435 -37.06757 1.75678 1.94435 -37.29497 691.15724
4210.0000 -39.05039 -37.00990 2.04049 1.97968 -37.06134 738.88116
4215.0000 -38.42642 -36.39150 2.03493 2.09426 -36.30384 873.16215
4220.0000 -38.23240 -36.87740 1.35500 2.04128 -36.65409 855.72726
4225.0000 -38.57755 -36.63615 1.94140 2.01216 -36.84664 817.02945
4230.0000 -39.18165 -37.29414 1.88751 2.03554 -36.69206 848.91417
4235.0000 -38.69201 -37.17664 1.51537 1.92860 -37.39908 697.82854
4240.0000 -38.20393 -36.19271 2.01122 2.03229 -36.71353 819.87847
4245.0000 -38.09074 -36.33983 1.75091 2.10783 -36.21409 904.58614
4250.0000 -37.82425 -36.04598 1.77826 2.09322 -36.31067 822.53039
FREEZING PROCESS: loop number 18 T-loop= 766.00000000000000
main_MD> interactions number 18 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.72401 -1.70906 -0.61668
force_rgl> df(natom) 1.91313 -1.58337 -0.41201
4255.0000 -38.21296 -36.49501 1.71794 2.08143 -36.38868 839.99132
4260.0000 -38.12849 -35.06256 3.06593 2.13347 -36.04461 930.12221
4265.0000 -37.90598 -36.35495 1.55103 2.08046 -36.39509 862.80573
4270.0000 -38.46414 -36.36809 2.09604 2.10365 -36.24176 903.58385
4275.0000 -37.84152 -36.42374 1.41778 2.11288 -36.18070 904.54758
4280.0000 -39.29546 -37.65147 1.64398 1.92201 -37.44262 701.46844
4285.0000 -39.08217 -37.80849 1.27368 1.84780 -37.93331 588.18723
4290.0000 -38.34859 -37.12167 1.22692 1.94418 -37.29608 711.59729
4295.0000 -38.95979 -37.18042 1.77937 1.93855 -37.33328 687.94762
4300.0000 -38.45622 -36.55023 1.90599 1.99722 -36.94538 784.62272
4305.0000 -38.66567 -37.16511 1.50057 2.01044 -36.85799 764.17302
4310.0000 -37.94091 -36.80944 1.13147 2.01354 -36.83752 809.68901
4315.0000 -39.56350 -37.48945 2.07405 1.96146 -37.18184 733.03604
4320.0000 -38.66983 -37.20232 1.46751 1.94843 -37.26801 727.29308
4325.0000 -38.59225 -36.82580 1.76646 1.95777 -37.20624 714.20518
4330.0000 -39.05801 -37.47729 1.58072 1.93298 -37.37012 689.40059
4335.0000 -38.56586 -36.92796 1.63789 1.97600 -37.08569 700.95603
4340.0000 -38.56327 -37.20913 1.35414 1.99700 -36.94686 762.28373
4345.0000 -38.81575 -37.54335 1.27240 1.87521 -37.75210 619.29291
4350.0000 -39.04726 -37.39454 1.65272 1.92450 -37.42621 707.57685
4355.0000 -38.96588 -37.55192 1.41396 1.93526 -37.35507 664.68403
4360.0000 -39.16466 -37.67479 1.48987 1.91881 -37.46380 667.44931
4365.0000 -38.42970 -37.09682 1.33288 1.94936 -37.26181 688.60350
4370.0000 -38.81560 -37.02203 1.79357 1.97369 -37.10099 722.57275
4375.0000 -38.75652 -36.80028 1.95623 2.00274 -36.90893 723.92011
4380.0000 -38.62017 -36.87245 1.74772 2.04916 -36.60197 838.95535
4385.0000 -38.82275 -36.95563 1.86712 1.99300 -36.97329 759.30555
4390.0000 -38.09762 -36.48369 1.61393 1.99438 -36.96420 783.16784
4395.0000 -38.61369 -37.19472 1.41897 1.99727 -36.94507 732.83868
4400.0000 -38.97345 -37.55275 1.42071 1.95620 -37.21661 736.76365
4405.0000 -38.78415 -36.79740 1.98675 1.91573 -37.48420 678.70166
4410.0000 -38.86839 -36.77646 2.09192 2.04184 -36.65037 823.84986
4415.0000 -37.53191 -36.15145 1.38046 2.07895 -36.40501 780.16452
4420.0000 -38.89191 -37.18778 1.70412 2.00727 -36.87896 735.02289
4425.0000 -38.73016 -36.81193 1.91824 2.01328 -36.83919 766.27057
4430.0000 -38.60617 -36.89117 1.71500 2.09592 -36.29283 887.56567
4435.0000 -38.88211 -37.65343 1.22867 1.97213 -37.11131 774.69857
4440.0000 -38.41525 -36.53845 1.87680 1.99921 -36.93225 763.71507
4445.0000 -38.17062 -36.43230 1.73832 2.05215 -36.58223 830.14918
4450.0000 -39.03209 -36.79345 2.23865 2.06809 -36.47685 890.09199
4455.0000 -38.39342 -36.78434 1.60908 2.06961 -36.46680 844.26274
4460.0000 -38.65853 -36.92041 1.73813 1.97692 -37.07960 751.47376
4465.0000 -38.65201 -36.98185 1.67017 1.95585 -37.21891 716.69326
4470.0000 -38.79287 -36.96073 1.83214 1.99336 -36.97092 731.38174
4475.0000 -38.80527 -36.70110 2.10417 1.98505 -37.02587 745.41889
4480.0000 -38.41804 -36.86770 1.55034 2.03299 -36.70889 757.18689
4485.0000 -38.87487 -36.84079 2.03409 2.07872 -36.40655 837.81634
4490.0000 -38.63571 -36.80427 1.83143 2.04295 -36.64308 790.55095
4495.0000 -37.55171 -35.99518 1.55653 2.09008 -36.33147 839.97594
4500.0000 -38.23085 -36.67020 1.56065 2.06292 -36.51104 806.77471
FREEZING PROCESS: loop number 19 T-loop= 741.00000000000000
main_MD> interactions number 19 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.85840 -1.95068 -0.93000
force_rgl> df(natom) -3.32399 -1.58241 0.93123
4505.0000 -38.60931 -37.13557 1.47374 1.99674 -36.94857 688.90810
4510.0000 -38.44357 -36.75369 1.68988 1.96173 -37.18007 697.56564
4515.0000 -39.02637 -37.59794 1.42844 1.96736 -37.14284 764.04941
4520.0000 -38.89193 -37.26143 1.63049 1.93730 -37.34154 726.05659
4525.0000 -38.73321 -37.35886 1.37436 1.97877 -37.06740 732.60466
4530.0000 -38.94813 -36.65982 2.28831 1.98893 -37.00022 805.44651
4535.0000 -38.20585 -36.35100 1.85485 2.05147 -36.58672 777.61209
4540.0000 -39.22733 -37.48578 1.74155 1.99585 -36.95443 735.11284
4545.0000 -38.85904 -36.91294 1.94610 1.97119 -37.11750 784.15896
4550.0000 -38.38827 -36.70103 1.68724 2.01294 -36.84145 795.63103
4555.0000 -38.99473 -37.55328 1.44145 1.96895 -37.13229 681.62578
4560.0000 -39.21887 -37.00083 2.21805 1.88643 -37.67786 685.09942
4565.0000 -38.69775 -37.06966 1.62809 1.97405 -37.09860 763.09627
4570.0000 -38.64918 -37.42960 1.21958 1.96035 -37.18915 686.93864
4575.0000 -39.20484 -37.66835 1.53650 1.88830 -37.66553 646.16114
4580.0000 -38.35253 -37.21375 1.13878 1.92376 -37.43109 670.95099
4585.0000 -39.14467 -37.22224 1.92243 1.96957 -37.12822 799.62279
4590.0000 -38.89907 -37.57013 1.32895 1.90955 -37.52503 692.64123
4595.0000 -39.31105 -37.70854 1.60251 1.91875 -37.46420 627.20440
4600.0000 -39.13045 -37.48713 1.64331 1.89610 -37.61393 667.55177
4605.0000 -39.19613 -38.31311 0.88302 1.84390 -37.95908 557.57392
4610.0000 -38.78789 -37.30657 1.48132 1.92671 -37.41157 683.62062
4615.0000 -39.46586 -38.05471 1.41116 1.83831 -37.99604 574.61645
4620.0000 -38.79717 -37.57502 1.22215 1.90618 -37.54728 696.72932
4625.0000 -39.05541 -37.75004 1.30537 1.88471 -37.68926 592.31725
4630.0000 -38.70297 -37.52831 1.17466 1.90399 -37.56176 621.63175
4635.0000 -38.84040 -36.93454 1.90586 1.92109 -37.44871 618.87494
4640.0000 -39.22745 -37.66555 1.56190 1.96816 -37.13750 668.85347
4645.0000 -39.21712 -38.08643 1.13069 1.86322 -37.83133 601.51580
4650.0000 -38.95489 -37.91906 1.03583 1.82414 -38.08974 566.86326
4655.0000 -39.22963 -37.59110 1.63853 1.86374 -37.82790 631.08665
4660.0000 -38.57372 -36.59181 1.98191 1.94878 -37.26564 728.22173
4665.0000 -38.20224 -36.49250 1.70974 2.05507 -36.56290 844.76639
4670.0000 -39.09715 -37.47693 1.62022 1.97253 -37.10862 711.95672
4675.0000 -38.12896 -36.24556 1.88340 1.93676 -37.34515 731.54251
4680.0000 -38.83929 -37.00209 1.83720 1.98756 -37.00927 751.53442
4685.0000 -38.40816 -36.70489 1.70327 1.99400 -36.96669 753.90001
4690.0000 -38.59504 -36.63221 1.96283 2.00133 -36.91822 743.64948
4695.0000 -38.99831 -37.44119 1.55713 2.02182 -36.78278 789.16531
4700.0000 -38.94286 -37.51800 1.42486 1.88644 -37.67785 602.65748
4705.0000 -38.69985 -37.52339 1.17645 1.85998 -37.85278 554.72068
4710.0000 -38.48135 -37.03904 1.44231 1.91974 -37.45763 669.62680
4715.0000 -39.16933 -37.55891 1.61041 1.99527 -36.95829 761.23796
4720.0000 -38.29013 -36.94655 1.34358 1.90794 -37.53567 649.47566
4725.0000 -39.48144 -37.75380 1.72763 1.90874 -37.53041 693.87520
4730.0000 -39.33086 -37.41207 1.91880 1.89655 -37.61095 652.43645
4735.0000 -38.86782 -37.49365 1.37417 1.95746 -37.20825 731.55012
4740.0000 -39.09781 -37.61932 1.47849 1.89797 -37.60160 680.22809
4745.0000 -39.34506 -37.30711 2.03795 1.92113 -37.44845 690.11744
4750.0000 -38.53326 -37.07321 1.46005 1.99062 -36.98907 791.53304
FREEZING PROCESS: loop number 20 T-loop= 716.00000000000000
main_MD> interactions number 20 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17844 -2.43597 1.36699
force_rgl> df(natom) -2.70868 -1.45193 -5.91490
4755.0000 -38.29621 -37.15109 1.14512 1.94452 -37.29384 678.34908
4760.0000 -38.38963 -36.86635 1.52328 1.96071 -37.18682 771.15029
4765.0000 -38.45204 -37.00263 1.44941 2.00082 -36.92159 768.95085
4770.0000 -38.62993 -37.01064 1.61929 1.99205 -36.97961 689.15405
4775.0000 -39.41636 -37.65792 1.75843 1.91797 -37.46935 673.34971
4780.0000 -38.84503 -37.72940 1.11564 1.88318 -37.69936 646.36880
4785.0000 -38.80312 -36.76483 2.03829 1.96546 -37.15540 726.54042
4790.0000 -39.02691 -37.09662 1.93029 1.98555 -37.02257 793.69103
4795.0000 -38.48757 -37.17918 1.30839 1.95143 -37.24812 720.42699
4800.0000 -38.77478 -37.49047 1.28431 1.91243 -37.50597 640.68295
4805.0000 -38.66537 -37.30797 1.35740 1.98380 -37.03410 782.68845
4810.0000 -39.00314 -37.57603 1.42711 1.90903 -37.52845 682.08598
4815.0000 -37.48856 -36.02681 1.46175 1.99372 -36.96854 767.85720
4820.0000 -38.48954 -36.24521 2.24433 2.16927 -35.80787 949.16307
4825.0000 -38.06341 -36.05754 2.00586 2.12661 -36.08994 901.03057
4830.0000 -38.58084 -37.43179 1.14906 2.02036 -36.79238 767.88197
4835.0000 -39.09473 -37.33716 1.75758 1.93679 -37.34496 648.79887
4840.0000 -39.43193 -37.69542 1.73651 1.97376 -37.10052 721.37057
4845.0000 -39.02522 -38.12039 0.90483 1.89693 -37.60847 639.10289
4850.0000 -38.75082 -36.92645 1.82437 1.93155 -37.37961 702.91168
4855.0000 -37.88843 -36.46857 1.41986 2.01388 -36.83526 788.26130
4860.0000 -38.00859 -36.55049 1.45810 2.11935 -36.13794 896.77658
4865.0000 -39.15288 -37.17423 1.97865 2.03583 -36.69016 803.37724
4870.0000 -38.69069 -36.98128 1.70941 1.97079 -37.12015 748.47946
4875.0000 -37.95708 -36.52591 1.43117 1.98891 -37.00035 737.37185
4880.0000 -38.92874 -36.94265 1.98610 2.03606 -36.68862 791.29836
4885.0000 -38.21044 -36.56516 1.64528 2.03851 -36.67241 831.14785
4890.0000 -38.72858 -36.03809 2.69049 2.06759 -36.48015 884.34374
4895.0000 -39.09017 -37.62188 1.46829 2.01101 -36.85424 823.37326
4900.0000 -38.65311 -36.94387 1.70924 1.95379 -37.23255 742.00817
4905.0000 -38.95358 -37.51753 1.43605 1.92917 -37.39528 649.97637
4910.0000 -38.86039 -37.27804 1.58234 1.88679 -37.67551 611.88572
4915.0000 -38.95341 -37.28056 1.67284 1.94375 -37.29895 710.67166
4920.0000 -39.20677 -37.12689 2.07988 1.99105 -36.98619 742.72019
4925.0000 -39.31159 -37.82752 1.48408 1.92692 -37.41016 720.96297
4930.0000 -39.19912 -37.66214 1.53698 1.89365 -37.63018 628.77794
4935.0000 -39.06514 -37.45031 1.61483 1.91554 -37.48546 660.38935
4940.0000 -38.98123 -37.55964 1.42159 1.87550 -37.75018 616.59599
4945.0000 -38.79530 -37.26622 1.52909 1.93744 -37.34062 723.21604
4950.0000 -38.36238 -37.14361 1.21877 1.98670 -37.01497 738.00564
4955.0000 -38.86558 -37.37207 1.49351 1.88473 -37.68915 612.39777
4960.0000 -38.74543 -37.19108 1.55434 1.97165 -37.11447 774.42656
4965.0000 -38.71667 -37.21718 1.49949 1.96962 -37.12789 759.93507
4970.0000 -38.37573 -36.77727 1.59846 1.96532 -37.15629 733.73610
4975.0000 -39.34889 -37.90949 1.43940 1.90430 -37.55971 652.15069
4980.0000 -39.19593 -38.13099 1.06493 1.85560 -37.88174 589.12479
4985.0000 -38.85329 -37.37443 1.47886 1.89033 -37.65210 618.50997
4990.0000 -39.03997 -37.45089 1.58907 1.91470 -37.49100 668.23406
4995.0000 -38.81193 -37.06799 1.74394 1.95430 -37.22914 703.53183
5000.0000 -39.40429 -37.66483 1.73946 1.93990 -37.32434 705.74465
FREEZING PROCESS: loop number 21 T-loop= 691.00000000000000
main_MD> interactions number 21 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86563 -1.95809 -2.66585
force_rgl> df(natom) -1.27475 -1.70751 3.45597
5005.0000 -39.04152 -37.57667 1.46485 1.85911 -37.85851 636.69548
5010.0000 -38.96356 -37.69828 1.26528 1.90920 -37.52734 647.24847
5015.0000 -38.95845 -37.26373 1.69472 1.90172 -37.57681 656.19977
5020.0000 -38.01075 -36.19946 1.81129 2.01335 -36.83879 768.92967
5025.0000 -38.81640 -37.11315 1.70326 2.03370 -36.70423 783.71414
5030.0000 -38.36931 -36.19968 2.16963 2.02126 -36.78648 740.42653
5035.0000 -38.64909 -36.89019 1.75890 2.03779 -36.67717 808.14176
5040.0000 -39.06467 -37.44702 1.61766 2.00441 -36.89788 771.55740
5045.0000 -38.68534 -37.20882 1.47652 1.92638 -37.41377 665.00865
5050.0000 -39.02872 -36.76138 2.26734 1.95825 -37.20303 784.53930
5055.0000 -38.64619 -37.34215 1.30404 1.95175 -37.24601 729.91002
5060.0000 -38.80858 -37.57616 1.23243 1.94941 -37.26147 701.87317
5065.0000 -38.40153 -36.92263 1.47891 1.92363 -37.43194 635.92810
5070.0000 -39.26503 -37.98923 1.27580 1.93031 -37.38780 675.84928
5075.0000 -39.29680 -37.64531 1.65148 1.86737 -37.80389 593.08464
5080.0000 -38.79889 -37.81401 0.98488 1.88387 -37.69481 618.65026
5085.0000 -39.38063 -38.00922 1.37142 1.83595 -38.01164 583.14455
5090.0000 -38.82546 -37.45070 1.37476 1.89601 -37.61455 651.39999
5095.0000 -38.89442 -37.78718 1.10724 1.94588 -37.28485 694.83091
5100.0000 -38.92042 -36.90058 2.01984 1.90206 -37.57452 619.32565
5105.0000 -38.93101 -37.55872 1.37230 1.95187 -37.24523 746.59536
5110.0000 -38.87841 -36.79177 2.08664 1.97666 -37.08134 749.23175
5115.0000 -39.36326 -37.28546 2.07781 1.97120 -37.11745 752.68939
5120.0000 -38.74241 -37.21316 1.52925 1.98239 -37.04345 712.34353
5125.0000 -38.87713 -37.24355 1.63358 1.98334 -37.03719 752.41603
5130.0000 -39.21182 -37.23136 1.98045 1.95137 -37.24851 742.65989
5135.0000 -39.04247 -37.59067 1.45180 1.93126 -37.38151 702.90855
5140.0000 -39.00838 -37.71501 1.29337 1.87809 -37.73303 625.43189
5145.0000 -38.76300 -37.22604 1.53696 1.92840 -37.40039 742.06732
5150.0000 -39.00034 -37.57708 1.42326 1.91631 -37.48037 686.69202
5155.0000 -39.38381 -38.06579 1.31802 1.87576 -37.74846 632.37135
5160.0000 -39.38969 -38.20370 1.18599 1.82118 -38.10931 569.67253
5165.0000 -39.44393 -38.40754 1.03639 1.82956 -38.05390 574.14386
5170.0000 -38.87025 -37.69966 1.17059 1.84146 -37.97518 585.82529
5175.0000 -39.41065 -37.86520 1.54545 1.91991 -37.45651 721.36729
5180.0000 -39.65895 -37.71499 1.94396 1.85382 -37.89346 620.25911
5185.0000 -39.08187 -37.68028 1.40159 1.88150 -37.71051 665.17163
5190.0000 -38.92227 -37.57614 1.34613 1.93921 -37.32890 719.63234
5195.0000 -38.76323 -37.42220 1.34103 1.89959 -37.59087 647.39005
5200.0000 -38.62080 -37.28724 1.33356 1.91915 -37.46154 610.88785
5205.0000 -38.73632 -37.49157 1.24475 1.93717 -37.34241 651.40263
5210.0000 -39.35755 -37.60394 1.75361 1.84786 -37.93290 614.86817
5215.0000 -38.86522 -37.67958 1.18565 1.91293 -37.50271 706.97975
5220.0000 -38.78256 -37.14936 1.63320 1.96869 -37.13403 724.04398
5225.0000 -38.70061 -36.67201 2.02860 2.00080 -36.92171 694.19965
5230.0000 -38.83201 -36.64313 2.18888 2.04603 -36.62267 732.55797
5235.0000 -38.92312 -37.80810 1.11501 2.00735 -36.87841 728.70389
5240.0000 -39.33181 -37.29616 2.03565 1.90086 -37.58250 589.60368
5245.0000 -38.73346 -37.54674 1.18672 1.91850 -37.46585 694.60142
5250.0000 -38.80614 -37.20776 1.59839 1.89463 -37.62369 653.27728
FREEZING PROCESS: loop number 22 T-loop= 666.00000000000000
main_MD> interactions number 22 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.85193 1.80450 1.88327
force_rgl> df(natom) 1.10343 1.63996 -1.61201
5255.0000 -38.91578 -37.37435 1.54143 1.96928 -37.13011 741.40590
5260.0000 -39.35334 -37.83586 1.51748 1.91290 -37.50288 671.53735
5265.0000 -39.01129 -37.26331 1.74798 1.89804 -37.60113 638.92730
5270.0000 -38.75510 -37.71098 1.04412 1.92373 -37.43128 678.22909
5275.0000 -38.88239 -37.57876 1.30363 1.90124 -37.58000 601.08287
5280.0000 -38.92699 -37.27808 1.64892 1.95024 -37.25604 704.02975
5285.0000 -39.24597 -37.91223 1.33374 1.94057 -37.31994 724.83846
5290.0000 -39.14684 -37.35596 1.79088 1.88388 -37.69475 640.78670
5295.0000 -39.24320 -37.06970 2.17350 1.94363 -37.29973 743.58523
5300.0000 -39.08254 -38.12560 0.95693 1.88860 -37.66352 660.50105
5305.0000 -38.87851 -37.29270 1.58582 1.90251 -37.57158 636.25973
5310.0000 -38.72432 -37.06927 1.65505 1.92655 -37.41262 689.62094
5315.0000 -39.02952 -37.54386 1.48565 1.92319 -37.43483 673.46953
5320.0000 -38.30813 -36.50729 1.80083 1.91708 -37.47526 678.52292
5325.0000 -38.37506 -36.66532 1.70973 2.05195 -36.58354 783.32460
5330.0000 -38.97732 -37.78619 1.19113 1.91793 -37.46963 656.41137
5335.0000 -38.53393 -36.98673 1.54720 1.92570 -37.41823 682.92696
5340.0000 -38.82170 -37.16199 1.65971 1.99187 -36.98077 747.24937
5345.0000 -39.00200 -37.96446 1.03754 1.90116 -37.58048 655.50538
5350.0000 -39.22864 -37.82852 1.40012 1.83680 -38.00604 593.94165
5355.0000 -38.76270 -37.27111 1.49159 1.92968 -37.39197 696.63160
5360.0000 -38.94833 -37.34640 1.60194 1.95457 -37.22741 684.98822
5365.0000 -39.58602 -38.24812 1.33789 1.84119 -37.97699 569.63364
5370.0000 -38.85636 -37.08698 1.76937 1.87912 -37.72624 639.48498
5375.0000 -39.23523 -37.82933 1.40590 1.95468 -37.22667 762.91216
5380.0000 -38.45510 -36.98740 1.46771 1.93849 -37.33370 698.47833
5385.0000 -38.73857 -37.57334 1.16523 1.96888 -37.13280 740.13580
5390.0000 -38.96644 -37.32442 1.64202 1.91221 -37.50746 678.40219
5395.0000 -39.22072 -37.54620 1.67453 1.91617 -37.48123 680.15784
5400.0000 -38.71361 -37.46503 1.24858 1.90851 -37.53189 647.43380
5405.0000 -38.47597 -36.74628 1.72969 1.95504 -37.22429 671.99847
5410.0000 -38.72548 -37.02025 1.70522 2.02417 -36.76721 796.21983
5415.0000 -38.99694 -37.58002 1.41692 1.94891 -37.26477 720.12891
5420.0000 -39.33426 -37.75390 1.58036 1.87539 -37.75090 646.70437
5425.0000 -39.21028 -37.64042 1.56987 1.82852 -38.06078 591.40733
5430.0000 -38.93637 -37.26163 1.67474 1.93157 -37.37946 687.90544
5435.0000 -38.46126 -36.90412 1.55714 1.93110 -37.38256 706.18536
5440.0000 -38.90252 -36.73959 2.16293 2.00462 -36.89650 781.91880
5445.0000 -38.50747 -37.08165 1.42582 1.99931 -36.93156 766.46925
5450.0000 -39.59560 -38.29512 1.30048 1.89334 -37.63219 631.95011
5455.0000 -38.55877 -37.16024 1.39853 1.90570 -37.55048 674.48650
5460.0000 -39.05686 -37.30285 1.75400 1.93505 -37.35643 667.16349
5465.0000 -39.27393 -37.26058 2.01335 1.90748 -37.53872 628.31588
5470.0000 -38.44674 -36.98236 1.46437 1.97160 -37.11478 689.50531
5475.0000 -38.28025 -37.08153 1.19873 1.99892 -36.93414 767.05562
5480.0000 -38.84814 -37.22745 1.62069 1.98972 -36.99502 759.49768
5485.0000 -39.36741 -38.03388 1.33353 1.90007 -37.58769 619.09674
5490.0000 -38.67312 -37.19038 1.48274 1.86408 -37.82564 604.52008
5495.0000 -39.28318 -37.67070 1.61248 1.90452 -37.55828 663.58825
5500.0000 -38.99320 -37.40572 1.58749 1.90710 -37.54124 688.57937
FREEZING PROCESS: loop number 23 T-loop= 641.00000000000000
main_MD> interactions number 23 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63069 -0.25931 0.45418
force_rgl> df(natom) 0.13060 -2.21927 1.68035
5505.0000 -38.93097 -37.42923 1.50175 1.89083 -37.64881 639.49745
5510.0000 -38.24662 -36.79395 1.45267 1.97645 -37.08275 749.08525
5515.0000 -38.63135 -36.72556 1.90579 2.00342 -36.90439 725.91195
5520.0000 -38.76474 -36.93172 1.83302 2.03474 -36.69732 813.89556
5525.0000 -39.01816 -37.10795 1.91022 1.96526 -37.15670 741.51889
5530.0000 -38.27222 -36.88250 1.38972 2.01127 -36.85251 797.77609
5535.0000 -38.84613 -37.05660 1.78953 1.98489 -37.02695 758.63328
5540.0000 -38.84860 -37.10546 1.74314 2.02167 -36.78375 787.31381
5545.0000 -39.12972 -37.71998 1.40975 1.93369 -37.36541 705.82818
5550.0000 -39.19786 -38.16091 1.03694 1.88921 -37.65952 623.94713
5555.0000 -39.59193 -38.58212 1.00981 1.81667 -38.13910 519.77076
5560.0000 -39.04500 -37.73302 1.31198 1.85559 -37.88181 620.62493
5565.0000 -39.13368 -37.55641 1.57727 1.86654 -37.80940 643.77852
5570.0000 -38.62537 -37.53737 1.08800 1.88547 -37.68423 617.60371
5575.0000 -38.79156 -37.38188 1.40969 1.94236 -37.30809 692.25979
5580.0000 -38.88121 -37.64652 1.23469 1.91218 -37.50767 642.14709
5585.0000 -38.82918 -37.64938 1.17979 1.89591 -37.61522 651.06850
5590.0000 -39.19023 -37.99412 1.19611 1.85820 -37.86450 594.79683
5595.0000 -39.40703 -38.12921 1.27783 1.86873 -37.79493 635.55737
5600.0000 -39.05514 -37.21883 1.83631 1.87142 -37.77713 606.56290
5605.0000 -39.05132 -37.53081 1.52051 1.89116 -37.64660 657.59994
5610.0000 -39.11913 -37.42383 1.69530 1.92679 -37.41108 694.82790
5615.0000 -38.54180 -37.30530 1.23650 1.91172 -37.51066 648.89734
5620.0000 -39.30952 -38.16889 1.14063 1.86116 -37.84495 583.95190
5625.0000 -39.20892 -37.89630 1.31261 1.83016 -38.04991 579.47797
5630.0000 -39.01554 -37.87815 1.13739 1.85495 -37.88603 569.25910
5635.0000 -39.53051 -38.04864 1.48188 1.81727 -38.13516 568.29062
5640.0000 -39.13497 -37.37036 1.76461 1.87071 -37.78185 602.62441
5645.0000 -39.04898 -37.48961 1.55938 1.94904 -37.26391 683.68167
5650.0000 -38.85929 -37.47715 1.38214 1.91691 -37.47636 656.74197
5655.0000 -38.88850 -37.73682 1.15168 1.84388 -37.95922 565.65631
5660.0000 -39.00455 -37.80758 1.19697 1.81678 -38.13841 534.09531
5665.0000 -38.59447 -37.47873 1.11574 1.89937 -37.59231 665.52158
5670.0000 -38.66918 -37.21856 1.45061 1.92778 -37.40454 656.80305
5675.0000 -38.71382 -37.21829 1.49553 1.93803 -37.33674 680.01728
5680.0000 -38.51325 -37.11817 1.39508 1.93539 -37.35421 713.76802
5685.0000 -38.58133 -37.02648 1.55486 1.93028 -37.38798 678.74265
5690.0000 -39.19626 -37.39900 1.79726 1.91483 -37.49014 634.96144
5695.0000 -38.99550 -37.40450 1.59100 1.92590 -37.41692 713.51647
5700.0000 -39.23991 -37.74711 1.49280 1.91917 -37.46145 709.62141
5705.0000 -39.07017 -37.95332 1.11685 1.86388 -37.82700 607.65250
5710.0000 -39.71618 -38.11392 1.60226 1.81342 -38.16058 567.28341
5715.0000 -38.65205 -37.28761 1.36444 1.91267 -37.50441 673.38545
5720.0000 -38.39187 -37.24125 1.15062 1.90885 -37.52963 634.12300
5725.0000 -38.71924 -37.37691 1.34234 1.92876 -37.39800 677.93936
5730.0000 -38.81846 -37.38039 1.43807 1.94137 -37.31465 744.87784
5735.0000 -39.06329 -37.73875 1.32454 1.91393 -37.49610 676.13338
5740.0000 -39.51615 -37.75808 1.75807 1.84716 -37.93752 627.59135
5745.0000 -39.28028 -37.33752 1.94276 1.90646 -37.54544 626.42592
5750.0000 -38.76453 -37.35851 1.40602 1.94957 -37.26041 683.29331
FREEZING PROCESS: loop number 24 T-loop= 616.00000000000000
main_MD> interactions number 24 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37782 -0.43699 -0.74453
force_rgl> df(natom) -1.23324 1.86354 3.32514
5755.0000 -39.25922 -38.27248 0.98673 1.89497 -37.62144 589.34104
5760.0000 -39.18431 -38.34929 0.83502 1.79131 -38.30677 494.41717
5765.0000 -39.30095 -37.70707 1.59388 1.81627 -38.14173 547.37218
5770.0000 -39.05428 -37.69766 1.35662 1.88530 -37.68536 676.73542
5775.0000 -38.97246 -37.95297 1.01949 1.83278 -38.03261 565.82965
5780.0000 -39.22045 -37.32485 1.89560 1.89130 -37.64568 632.26264
5785.0000 -38.23155 -36.52015 1.71140 1.98458 -37.02894 728.65139
5790.0000 -38.52111 -36.97805 1.54306 2.06502 -36.49711 817.64797
5795.0000 -39.00725 -37.20111 1.80614 1.95868 -37.20020 730.91622
5800.0000 -38.97237 -37.36552 1.60686 1.85735 -37.87016 617.11532
5805.0000 -39.55483 -37.94614 1.60869 1.91418 -37.49443 654.71615
5810.0000 -39.29411 -38.29689 0.99722 1.80135 -38.24042 506.79334
5815.0000 -38.99676 -37.68908 1.30768 1.81937 -38.12123 584.67989
5820.0000 -39.21660 -38.08543 1.13118 1.89155 -37.64405 629.31763
5825.0000 -39.31845 -38.07069 1.24777 1.80366 -38.22512 509.31995
5830.0000 -38.85007 -37.70343 1.14664 1.86803 -37.79952 571.81218
5835.0000 -39.07117 -37.80628 1.26488 1.87530 -37.75144 626.11002
5840.0000 -39.47117 -38.34659 1.12458 1.81867 -38.12586 531.91713
5845.0000 -39.43262 -38.32601 1.10662 1.78777 -38.33018 519.67290
5850.0000 -39.49916 -38.56996 0.92920 1.82091 -38.11107 575.81105
5855.0000 -39.27622 -38.08154 1.19468 1.84595 -37.94554 590.06408
5860.0000 -39.34872 -38.24419 1.10453 1.79545 -38.27942 522.08549
5865.0000 -39.04029 -37.68333 1.35696 1.80764 -38.19882 503.34477
5870.0000 -38.88967 -37.61166 1.27801 1.93903 -37.33010 721.28678
5875.0000 -38.95594 -37.56475 1.39120 1.88964 -37.65666 611.06406
5880.0000 -39.47651 -38.56377 0.91274 1.85376 -37.89392 599.21276
5885.0000 -38.94642 -37.85941 1.08701 1.79962 -38.25182 531.55122
5890.0000 -38.97437 -37.57063 1.40373 1.89036 -37.65191 634.78365
5895.0000 -39.17202 -37.90887 1.26315 1.86098 -37.84617 545.58315
5900.0000 -39.60373 -38.00054 1.60319 1.84263 -37.96747 591.27986
5905.0000 -38.95921 -38.06310 0.89610 1.84691 -37.93917 579.60800
5910.0000 -39.10451 -38.14842 0.95609 1.83905 -37.99115 589.40121
5915.0000 -38.97916 -37.88947 1.08970 1.84758 -37.93476 578.55190
5920.0000 -38.52389 -37.47596 1.04793 1.90064 -37.58395 601.28332
5925.0000 -39.01261 -37.79967 1.21294 1.90009 -37.58755 646.09915
5930.0000 -38.71453 -37.23089 1.48364 1.91687 -37.47667 671.72511
5935.0000 -39.56235 -37.97865 1.58370 1.87908 -37.72649 634.93226
5940.0000 -38.93138 -37.87314 1.05824 1.82389 -38.09140 544.92563
5945.0000 -38.73398 -37.19145 1.54253 1.90531 -37.55307 621.68030
5950.0000 -39.13530 -37.70667 1.42864 1.92444 -37.42657 654.04463
5955.0000 -39.23144 -37.88182 1.34962 1.88534 -37.68511 590.59831
5960.0000 -39.18887 -38.22484 0.96404 1.84211 -37.97090 559.63734
5965.0000 -39.44519 -38.04786 1.39733 1.77920 -38.38685 510.73629
5970.0000 -38.88399 -37.29367 1.59032 1.88941 -37.65819 683.55130
5975.0000 -39.54064 -38.15417 1.38648 1.90073 -37.58332 679.81448
5980.0000 -39.21812 -37.81415 1.40397 1.86581 -37.81425 637.00228
5985.0000 -38.93790 -37.72821 1.20968 1.87766 -37.73586 635.79479
5990.0000 -38.90589 -37.87661 1.02928 1.88588 -37.68154 537.42393
5995.0000 -38.73521 -36.94783 1.78738 1.94036 -37.32135 680.59722
6000.0000 -38.11046 -36.71315 1.39731 1.96764 -37.14100 706.79874
FREEZING PROCESS: loop number 25 T-loop= 591.00000000000000
main_MD> interactions number 25 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.44989 -0.73340 -3.23085
force_rgl> df(natom) 0.54171 0.10734 0.82404
6005.0000 -39.15704 -37.76254 1.39450 1.92230 -37.44071 646.88256
6010.0000 -39.30756 -37.89762 1.40995 1.83535 -38.01562 579.24411
6015.0000 -39.84982 -38.70329 1.14653 1.77719 -38.40010 493.90279
6020.0000 -39.82656 -38.51750 1.30906 1.71365 -38.82022 428.90393
6025.0000 -39.35757 -37.62786 1.72971 1.82510 -38.08339 567.13846
6030.0000 -39.00532 -37.45448 1.55084 1.86893 -37.79361 604.45273
6035.0000 -38.98163 -37.79968 1.18196 1.90237 -37.57250 667.79536
6040.0000 -39.15677 -37.60817 1.54859 1.85433 -37.89014 621.62116
6045.0000 -38.44032 -37.29924 1.14107 1.94166 -37.31276 661.38996
6050.0000 -39.03987 -37.94165 1.09822 1.85981 -37.85390 564.33143
6055.0000 -39.06141 -37.87720 1.18422 1.88303 -37.70039 624.47584
6060.0000 -38.95169 -37.29122 1.66047 1.87580 -37.74814 647.48106
6065.0000 -38.95314 -37.46692 1.48622 1.91369 -37.49767 705.28636
6070.0000 -38.98497 -37.66562 1.31935 1.84516 -37.95074 617.56264
6075.0000 -38.87343 -37.64729 1.22614 1.91777 -37.47068 702.32396
6080.0000 -39.05311 -37.20914 1.84397 1.94687 -37.27829 712.28140
6085.0000 -39.48699 -37.57866 1.90833 1.92387 -37.43035 666.15261
6090.0000 -39.43218 -38.17859 1.25359 1.84024 -37.98326 567.79310
6095.0000 -39.75610 -38.54021 1.21590 1.77179 -38.43584 511.37745
6100.0000 -39.45910 -38.04769 1.41141 1.82444 -38.08773 585.84670
6105.0000 -39.07783 -37.67044 1.40739 1.85364 -37.89469 603.91940
6110.0000 -38.88830 -37.42806 1.46024 1.93464 -37.35914 716.29159
6115.0000 -38.43510 -36.86186 1.57324 1.94099 -37.31719 695.80817
6120.0000 -39.20581 -37.77325 1.43256 1.97635 -37.08339 699.88959
6125.0000 -39.39723 -38.00977 1.38747 1.82000 -38.11711 556.47190
6130.0000 -39.14167 -38.36475 0.77691 1.78880 -38.32338 516.76468
6135.0000 -39.03244 -38.21894 0.81349 1.78175 -38.36995 502.58615
6140.0000 -38.84956 -37.53699 1.31257 1.87151 -37.77655 601.86636
6145.0000 -39.31126 -37.49217 1.81909 1.87222 -37.77185 580.84097
6150.0000 -39.18361 -38.31310 0.87051 1.85060 -37.91480 576.04096
6155.0000 -39.30941 -38.56364 0.74577 1.75331 -38.55800 439.32951
6160.0000 -39.90861 -38.33762 1.57099 1.78952 -38.31859 509.62141
6165.0000 -39.45948 -37.74109 1.71839 1.81400 -38.15677 557.14011
6170.0000 -38.84966 -37.52563 1.32402 1.89586 -37.61555 615.36248
6175.0000 -39.00956 -37.85975 1.14982 1.88647 -37.67760 611.70584
6180.0000 -39.24426 -37.67376 1.57050 1.90659 -37.54462 661.82622
6185.0000 -39.34632 -37.86069 1.48564 1.89558 -37.61737 642.31276
6190.0000 -39.01848 -37.42470 1.59378 1.89004 -37.65405 654.91010
6195.0000 -39.38299 -38.05599 1.32700 1.82936 -38.05518 555.11649
6200.0000 -39.15598 -37.67924 1.47674 1.87344 -37.76378 625.84183
6205.0000 -38.69724 -37.24407 1.45317 1.93643 -37.34734 684.58188
6210.0000 -38.71578 -37.77029 0.94550 1.86528 -37.81770 575.39594
6215.0000 -39.05207 -38.04020 1.01187 1.86947 -37.79002 598.12225
6220.0000 -39.21504 -37.73762 1.47742 1.87592 -37.74740 617.79857
6225.0000 -39.16173 -37.76156 1.40017 1.84667 -37.94077 609.09049
6230.0000 -39.18663 -38.13239 1.05424 1.84964 -37.92115 589.15249
6235.0000 -38.56175 -37.13827 1.42348 1.89722 -37.60655 658.88255
6240.0000 -39.44057 -38.22415 1.21642 1.91691 -37.47639 672.33598
6245.0000 -39.02554 -37.57848 1.44706 1.84280 -37.96636 598.51634
6250.0000 -39.30623 -37.65192 1.65431 1.89214 -37.64013 631.52510
FREEZING PROCESS: loop number 26 T-loop= 566.00000000000000
main_MD> interactions number 26 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43787 -1.38877 0.46906
force_rgl> df(natom) 1.79472 2.59422 0.97617
6255.0000 -39.14546 -38.14128 1.00417 1.83029 -38.04905 545.52989
6260.0000 -39.05619 -37.68787 1.36832 1.82481 -38.08532 568.94912
6265.0000 -39.33526 -37.68950 1.64576 1.92538 -37.42035 659.71670
6270.0000 -39.09009 -37.79376 1.29633 1.85076 -37.91369 559.48028
6275.0000 -39.16834 -37.59679 1.57154 1.87252 -37.76987 624.47923
6280.0000 -38.94575 -37.73786 1.20789 1.87458 -37.75625 592.77403
6285.0000 -39.16202 -37.88765 1.27437 1.87360 -37.76274 609.56831
6290.0000 -39.67725 -38.37462 1.30263 1.82815 -38.06320 546.64112
6295.0000 -39.61458 -38.31994 1.29464 1.76948 -38.45107 528.09555
6300.0000 -39.42224 -37.97609 1.44615 1.85386 -37.89326 628.00072
6305.0000 -39.44648 -38.02111 1.42537 1.82637 -38.07500 542.72282
6310.0000 -38.91878 -37.80554 1.11323 1.90160 -37.57759 649.71101
6315.0000 -39.36983 -38.05367 1.31617 1.87177 -37.77479 628.13319
6320.0000 -39.62240 -38.44191 1.18049 1.83705 -38.00434 582.47254
6325.0000 -39.62906 -38.51978 1.10928 1.75793 -38.52747 483.24451
6330.0000 -39.70028 -38.48076 1.21952 1.78092 -38.37546 532.46354
6335.0000 -39.63048 -38.36293 1.26755 1.77592 -38.40855 503.95904
6340.0000 -38.76082 -37.52101 1.23981 1.85137 -37.90972 585.38091
6345.0000 -39.21954 -38.09448 1.12505 1.89137 -37.64521 627.15248
6350.0000 -39.57305 -38.79524 0.77780 1.77122 -38.43959 509.09570
6355.0000 -39.42037 -37.93805 1.48232 1.79006 -38.31501 516.61122
6360.0000 -39.51350 -38.11371 1.39980 1.85860 -37.86188 601.21528
6365.0000 -39.23251 -37.98847 1.24404 1.82821 -38.06284 590.04577
6370.0000 -39.42230 -38.36989 1.05241 1.83390 -38.02518 570.82537
6375.0000 -38.91107 -37.71708 1.19399 1.84107 -37.97779 581.81410
6380.0000 -39.16857 -38.12588 1.04269 1.82260 -38.09988 536.78414
6385.0000 -39.62764 -38.69028 0.93736 1.76206 -38.50019 470.92789
6390.0000 -39.24840 -38.18798 1.06042 1.77022 -38.44618 486.58639
6395.0000 -39.44981 -37.73889 1.71092 1.86689 -37.80709 634.80268
6400.0000 -39.35514 -37.93242 1.42272 1.86062 -37.84850 594.24639
6405.0000 -39.19523 -37.95209 1.24314 1.84858 -37.92816 619.06680
6410.0000 -39.16919 -37.99209 1.17710 1.81310 -38.16270 565.26429
6415.0000 -38.69688 -37.71864 0.97824 1.85338 -37.89638 594.51639
6420.0000 -38.14209 -37.09030 1.05180 1.92002 -37.45579 652.66189
6425.0000 -39.83098 -38.70380 1.12718 1.85721 -37.87107 596.44541
6430.0000 -39.76422 -38.52946 1.23476 1.73456 -38.68196 432.37105
6435.0000 -39.71979 -38.82233 0.89746 1.78475 -38.35016 545.41797
6440.0000 -39.97153 -38.63111 1.34042 1.74635 -38.60402 461.76300
6445.0000 -39.43771 -38.10918 1.32854 1.79724 -38.26754 542.62317
6450.0000 -39.80584 -38.90249 0.90335 1.77420 -38.41989 492.29109
6455.0000 -39.45706 -38.36762 1.08945 1.76355 -38.49029 482.04884
6460.0000 -39.55179 -38.52120 1.03059 1.73879 -38.65401 441.16666
6465.0000 -39.42131 -38.20068 1.22062 1.77185 -38.43545 507.96597
6470.0000 -39.46386 -38.32249 1.14137 1.81837 -38.12784 541.07879
6475.0000 -39.42058 -38.47821 0.94237 1.78305 -38.36137 509.88516
6480.0000 -39.60573 -38.63389 0.97183 1.77720 -38.40006 493.52606
6485.0000 -39.76599 -38.59538 1.17061 1.72758 -38.72810 435.54653
6490.0000 -39.27980 -38.22980 1.05000 1.76843 -38.45807 483.99447
6495.0000 -39.26053 -38.39787 0.86265 1.78618 -38.34071 496.28320
6500.0000 -39.43122 -38.41017 1.02105 1.79515 -38.28139 505.44040
FREEZING PROCESS: loop number 27 T-loop= 541.00000000000000
main_MD> interactions number 27 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26986 -0.64703 2.52538
force_rgl> df(natom) 1.82052 -0.53442 -3.73710
6505.0000 -38.94409 -37.79868 1.14541 1.77599 -38.40803 505.46960
6510.0000 -39.25075 -37.84326 1.40749 1.87099 -37.77994 597.50653
6515.0000 -39.30393 -38.16040 1.14353 1.82355 -38.09364 532.91966
6520.0000 -38.89741 -37.48185 1.41556 1.87168 -37.77538 646.12671
6525.0000 -38.72718 -37.40569 1.32149 1.91322 -37.50079 645.10445
6530.0000 -38.18705 -36.83965 1.34740 1.93173 -37.37841 648.25500
6535.0000 -38.93573 -38.04356 0.89217 1.94153 -37.31358 671.88044
6540.0000 -39.27040 -38.26015 1.01025 1.78190 -38.36898 479.59566
6545.0000 -38.89801 -38.07363 0.82438 1.84798 -37.93209 581.46288
6550.0000 -39.87924 -38.61105 1.26819 1.76169 -38.50258 455.70466
6555.0000 -39.33614 -38.01946 1.31668 1.79432 -38.28687 545.95878
6560.0000 -39.14277 -37.71694 1.42584 1.87981 -37.72169 655.83995
6565.0000 -39.34400 -38.34126 1.00274 1.83759 -38.00079 576.28123
6570.0000 -39.52884 -38.69316 0.83568 1.80616 -38.20857 524.77002
6575.0000 -39.20592 -38.16184 1.04408 1.79040 -38.31279 498.95061
6580.0000 -39.63999 -38.35341 1.28658 1.81800 -38.13034 547.97798
6585.0000 -39.01179 -37.57210 1.43968 1.77635 -38.40568 491.22365
6590.0000 -38.85715 -37.72638 1.13077 1.88725 -37.67247 599.10741
6595.0000 -39.23657 -38.15588 1.08069 1.82359 -38.09338 562.30348
6600.0000 -39.06909 -37.83935 1.22975 1.84504 -37.95151 601.87478
6605.0000 -39.07493 -37.51293 1.56200 1.84221 -37.97022 589.91314
6610.0000 -39.34142 -38.14218 1.19924 1.88175 -37.70883 625.45346
6615.0000 -38.94548 -37.56393 1.38156 1.81941 -38.12099 570.59015
6620.0000 -39.04669 -37.61924 1.42745 1.85948 -37.85607 574.96516
6625.0000 -39.24848 -38.21701 1.03147 1.83098 -38.04446 525.43278
6630.0000 -39.13722 -37.96426 1.17296 1.80606 -38.20925 537.85373
6635.0000 -39.61275 -38.72112 0.89164 1.76499 -38.48077 475.35945
6640.0000 -39.17695 -38.15751 1.01944 1.76955 -38.45062 474.78085
6645.0000 -39.61699 -38.09901 1.51799 1.81363 -38.15918 529.31960
6650.0000 -39.62013 -38.37799 1.24213 1.78450 -38.35181 479.15925
6655.0000 -39.74883 -38.26732 1.48151 1.78431 -38.35308 503.58533
6660.0000 -39.40276 -38.37081 1.03195 1.78394 -38.35547 509.69477
6665.0000 -39.55706 -38.23727 1.31979 1.78941 -38.31931 536.86214
6670.0000 -39.34897 -37.89717 1.45180 1.86005 -37.85227 604.93927
6675.0000 -39.59192 -38.92547 0.66645 1.76991 -38.44823 491.72036
6680.0000 -39.77711 -38.83866 0.93845 1.72513 -38.74430 430.72170
6685.0000 -39.62298 -38.14701 1.47597 1.75998 -38.51392 482.30364
6690.0000 -39.78884 -38.64820 1.14064 1.78425 -38.35344 516.96985
6695.0000 -39.60662 -38.65723 0.94939 1.74278 -38.62764 451.59260
6700.0000 -39.15231 -38.25236 0.89995 1.75736 -38.53123 477.12845
6705.0000 -39.54661 -38.41793 1.12867 1.82163 -38.10631 560.14864
6710.0000 -39.20362 -38.42038 0.78324 1.81536 -38.14778 526.76619
6715.0000 -39.27243 -38.04763 1.22481 1.78404 -38.35482 475.31852
6720.0000 -38.85690 -37.42886 1.42804 1.87192 -37.77379 648.01309
6725.0000 -38.77709 -37.07872 1.69838 1.95326 -37.23604 736.89555
6730.0000 -38.90566 -37.74327 1.16239 1.94650 -37.28074 699.32082
6735.0000 -39.37620 -38.06097 1.31523 1.83466 -38.02017 596.83497
6740.0000 -39.58066 -38.81593 0.76473 1.81104 -38.17633 530.55084
6745.0000 -39.69856 -38.63555 1.06301 1.73625 -38.67083 442.86270
6750.0000 -39.64104 -38.68919 0.95184 1.76963 -38.45010 462.64639
FREEZING PROCESS: loop number 28 T-loop= 516.00000000000000
main_MD> interactions number 28 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28506 -1.58666 1.11196
force_rgl> df(natom) 2.54154 -0.61414 -0.45864
6755.0000 -39.44936 -38.14629 1.30307 1.76481 -38.48197 470.16869
6760.0000 -39.40973 -38.21582 1.19391 1.81615 -38.14257 560.80263
6765.0000 -39.47046 -37.98546 1.48499 1.80903 -38.18962 541.72998
6770.0000 -38.66802 -37.68195 0.98607 1.86916 -37.79205 594.71789
6775.0000 -39.29361 -38.22284 1.07077 1.83001 -38.05090 572.33873
6780.0000 -39.34301 -38.41829 0.92472 1.79502 -38.28228 513.62665
6785.0000 -39.46492 -38.03787 1.42705 1.77399 -38.42130 464.10953
6790.0000 -39.66672 -38.52524 1.14149 1.81090 -38.17727 533.93135
6795.0000 -39.19484 -38.00330 1.19154 1.81741 -38.13419 536.37117
6800.0000 -39.39073 -37.91749 1.47325 1.86446 -37.82317 608.43635
6805.0000 -39.47725 -38.12805 1.34920 1.84546 -37.94876 562.04667
6810.0000 -39.19848 -38.13931 1.05917 1.80694 -38.20344 540.70867
6815.0000 -38.95023 -37.88740 1.06283 1.84376 -37.95998 591.19487
6820.0000 -39.58256 -38.61095 0.97160 1.75006 -38.57950 448.14136
6825.0000 -38.64414 -37.46075 1.18339 1.84830 -37.93001 565.98448
6830.0000 -38.98277 -37.64019 1.34258 1.85588 -37.87986 594.86035
6835.0000 -39.68746 -38.38644 1.30102 1.83558 -38.01408 596.70127
6840.0000 -39.60477 -38.38616 1.21862 1.80510 -38.21558 531.16889
6845.0000 -39.65973 -38.33097 1.32877 1.77851 -38.39138 485.40318
6850.0000 -39.63173 -38.29502 1.33672 1.79160 -38.30485 484.24214
6855.0000 -39.57362 -38.43475 1.13887 1.78898 -38.32215 517.72039
6860.0000 -39.12173 -38.27794 0.84378 1.81708 -38.13641 559.06037
6865.0000 -39.18796 -37.98143 1.20653 1.83581 -38.01255 560.92534
6870.0000 -39.19006 -38.19053 0.99953 1.79937 -38.25345 535.62928
6875.0000 -38.90545 -37.79961 1.10585 1.82482 -38.08524 561.21994
6880.0000 -39.44792 -38.47659 0.97133 1.80191 -38.23668 490.59646
6885.0000 -39.25813 -37.90292 1.35520 1.81157 -38.17282 536.67502
6890.0000 -39.70050 -38.62456 1.07593 1.78130 -38.37295 511.33126
6895.0000 -39.45027 -38.54171 0.90856 1.72968 -38.71424 431.98423
6900.0000 -39.27949 -38.49942 0.78007 1.73438 -38.68315 462.78651
6905.0000 -39.73316 -38.75464 0.97852 1.74629 -38.60442 442.04381
6910.0000 -39.59345 -38.59200 1.00145 1.78454 -38.35151 498.60111
6915.0000 -39.53120 -38.45207 1.07914 1.74259 -38.62886 457.17950
6920.0000 -39.79736 -38.41826 1.37910 1.79906 -38.25556 508.62878
6925.0000 -39.64385 -38.36835 1.27551 1.78800 -38.32869 527.35755
6930.0000 -39.77638 -38.78264 0.99374 1.79299 -38.29565 514.00803
6935.0000 -39.67920 -38.41533 1.26387 1.75077 -38.57483 474.14196
6940.0000 -39.82827 -38.80264 1.02563 1.75759 -38.52969 486.39224
6945.0000 -39.34567 -38.12127 1.22440 1.80319 -38.22823 549.09921
6950.0000 -39.15419 -38.34571 0.80848 1.80921 -38.18845 521.44410
6955.0000 -39.21333 -37.88127 1.33206 1.80472 -38.21811 511.94998
6960.0000 -39.27747 -38.17823 1.09924 1.82629 -38.07549 542.44094
6965.0000 -39.62432 -38.55889 1.06544 1.77103 -38.44083 457.07295
6970.0000 -39.46198 -38.14577 1.31621 1.81378 -38.15821 592.45878
6975.0000 -38.64693 -37.86401 0.78291 1.85337 -37.89644 591.23229
6980.0000 -38.91986 -37.40958 1.51027 1.90710 -37.54124 617.64125
6985.0000 -39.06493 -37.56032 1.50461 1.91255 -37.50517 666.20570
6990.0000 -39.39072 -38.35328 1.03744 1.83684 -38.00575 564.30619
6995.0000 -39.21383 -37.96720 1.24664 1.81979 -38.11849 560.55100
7000.0000 -39.00271 -38.30529 0.69742 1.75817 -38.52585 466.13953
FREEZING PROCESS: loop number 29 T-loop= 491.00000000000000
main_MD> interactions number 29 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25045 2.38363 -0.83004
force_rgl> df(natom) 1.35387 1.98691 3.46007
7005.0000 -39.48687 -38.58988 0.89699 1.76791 -38.46146 484.08909
7010.0000 -39.29521 -38.11280 1.18241 1.77693 -38.40184 514.09514
7015.0000 -39.91815 -38.74584 1.17231 1.76646 -38.47106 549.27971
7020.0000 -39.34716 -38.09675 1.25041 1.77842 -38.39199 470.05187
7025.0000 -38.97254 -37.67214 1.30040 1.82100 -38.11048 548.90000
7030.0000 -38.74704 -37.43378 1.31327 1.94325 -37.30225 677.92167
7035.0000 -38.90853 -37.76802 1.14051 1.87616 -37.74577 589.82984
7040.0000 -39.56929 -38.21730 1.35199 1.81559 -38.14627 557.35416
7045.0000 -39.38462 -37.94432 1.44030 1.82827 -38.06244 535.55269
7050.0000 -39.65808 -38.39251 1.26558 1.84185 -37.97263 594.35554
7055.0000 -39.79377 -38.35087 1.44290 1.76804 -38.46064 476.34149
7060.0000 -39.84586 -38.95070 0.89517 1.75959 -38.51649 499.92292
7065.0000 -39.48117 -38.76232 0.71885 1.70415 -38.88306 405.15081
7070.0000 -39.21262 -38.22861 0.98401 1.77670 -38.40337 471.03221
7075.0000 -39.51804 -38.66391 0.85412 1.77949 -38.38493 497.60718
7080.0000 -39.43931 -38.20517 1.23415 1.77812 -38.39396 493.71684
7085.0000 -39.36806 -37.99837 1.36969 1.81571 -38.14547 514.66003
7090.0000 -39.13747 -38.11652 1.02095 1.85207 -37.90504 591.69762
7095.0000 -39.74214 -38.45845 1.28368 1.80610 -38.20897 509.52655
7100.0000 -39.56474 -38.51874 1.04601 1.76453 -38.48382 486.04496
7105.0000 -39.64853 -38.65029 0.99824 1.73821 -38.65783 441.20600
7110.0000 -39.57072 -38.78748 0.78325 1.71599 -38.80474 409.57332
7115.0000 -39.79754 -38.77532 1.02222 1.72056 -38.77451 433.51465
7120.0000 -39.26882 -38.54967 0.71915 1.72727 -38.73017 429.00821
7125.0000 -39.62779 -38.33257 1.29522 1.75745 -38.53062 463.67098
7130.0000 -39.72447 -38.67709 1.04738 1.76193 -38.50104 484.89837
7135.0000 -39.69315 -38.87184 0.82131 1.69832 -38.92155 392.87509
7140.0000 -39.56151 -38.68202 0.87949 1.74943 -38.58367 443.32472
7145.0000 -39.70071 -38.84690 0.85381 1.71560 -38.80732 412.07825
7150.0000 -39.38470 -38.31124 1.07346 1.76472 -38.48259 479.43324
7155.0000 -39.66809 -38.51500 1.15309 1.76937 -38.45182 475.67223
7160.0000 -39.27328 -38.03586 1.23742 1.80840 -38.19381 574.61561
7165.0000 -39.42788 -38.29744 1.13044 1.80135 -38.24036 516.32312
7170.0000 -39.37399 -38.21044 1.16355 1.81398 -38.15688 543.73509
7175.0000 -39.69661 -38.42954 1.26707 1.77056 -38.44395 458.99407
7180.0000 -39.57231 -38.40067 1.17164 1.77017 -38.44651 489.00547
7185.0000 -39.58943 -38.29361 1.29582 1.76725 -38.46583 488.17544
7190.0000 -39.47985 -38.52700 0.95285 1.77680 -38.40274 497.15478
7195.0000 -39.75401 -38.64226 1.11175 1.79140 -38.30615 492.22440
7200.0000 -39.75246 -38.85064 0.90182 1.72694 -38.73234 436.93155
7205.0000 -39.78894 -38.87649 0.91245 1.71147 -38.83462 399.12025
7210.0000 -39.66048 -38.42651 1.23397 1.75645 -38.53723 481.28306
7215.0000 -39.85825 -38.70590 1.15235 1.74262 -38.62867 447.42454
7220.0000 -39.54151 -38.84799 0.69352 1.71931 -38.78280 402.24762
7225.0000 -39.36773 -38.58216 0.78557 1.72578 -38.74000 420.53532
7230.0000 -39.48249 -38.53836 0.94413 1.73701 -38.66577 436.20981
7235.0000 -39.74727 -38.70593 1.04134 1.75883 -38.52151 462.45862
7240.0000 -39.52637 -38.62325 0.90312 1.76780 -38.46221 480.05362
7245.0000 -39.68059 -38.63729 1.04329 1.71368 -38.82000 398.28707
7250.0000 -39.73665 -38.58103 1.15563 1.74355 -38.62251 451.23074
FREEZING PROCESS: loop number 30 T-loop= 466.00000000000000
main_MD> interactions number 30 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.46869 0.22663 -0.65912
force_rgl> df(natom) 0.49718 -0.26083 -2.32546
7255.0000 -39.69333 -38.79780 0.89553 1.75792 -38.52755 472.83886
7260.0000 -39.18808 -37.99353 1.19454 1.77679 -38.40277 486.20955
7265.0000 -39.68567 -38.54059 1.14508 1.79175 -38.30384 524.21547
7270.0000 -39.53285 -38.31917 1.21368 1.73878 -38.65409 433.88505
7275.0000 -39.53925 -38.40458 1.13467 1.78623 -38.34035 477.39538
7280.0000 -39.46110 -38.62229 0.83880 1.78431 -38.35306 510.98409
7285.0000 -39.01382 -37.64307 1.37074 1.80077 -38.24422 546.35104
7290.0000 -39.80472 -38.42302 1.38171 1.81306 -38.16300 523.41925
7295.0000 -39.11628 -37.95692 1.15936 1.80514 -38.21534 503.80974
7300.0000 -38.88684 -37.69844 1.18840 1.86153 -37.84252 569.96759
7305.0000 -39.48372 -38.32206 1.16166 1.79355 -38.29197 526.03440
7310.0000 -39.52200 -38.60751 0.91449 1.76620 -38.47276 471.01019
7315.0000 -39.59474 -38.58027 1.01447 1.75646 -38.53720 477.95335
7320.0000 -39.47057 -38.64635 0.82422 1.74746 -38.59670 453.14153
7325.0000 -39.64659 -38.71883 0.92776 1.76612 -38.47334 488.54109
7330.0000 -39.86526 -38.92574 0.93952 1.73688 -38.66666 445.04853
7335.0000 -39.68344 -38.51000 1.17345 1.77392 -38.42173 474.85517
7340.0000 -39.85294 -38.97068 0.88226 1.74137 -38.63698 470.44498
7345.0000 -39.64673 -38.75792 0.88880 1.72069 -38.77368 418.10083
7350.0000 -39.72173 -38.81514 0.90659 1.75650 -38.53695 464.12895
7355.0000 -39.20599 -38.14496 1.06102 1.77011 -38.44697 482.37435
7360.0000 -39.45286 -38.38642 1.06644 1.81362 -38.15930 552.39078
7365.0000 -39.63086 -38.79736 0.83351 1.72698 -38.73211 380.12138
7370.0000 -39.53440 -38.42444 1.10996 1.75922 -38.51896 460.37943
7375.0000 -39.73265 -38.88678 0.84587 1.71896 -38.78511 420.09514
7380.0000 -39.97052 -38.87331 1.09721 1.76775 -38.46251 493.34415
7385.0000 -39.74941 -39.13268 0.61673 1.66828 -39.12016 332.83515
7390.0000 -39.82993 -38.66268 1.16726 1.71161 -38.83372 373.00751
7395.0000 -39.51693 -38.68398 0.83295 1.77211 -38.43369 464.00187
7400.0000 -39.45793 -38.63392 0.82401 1.73978 -38.64749 455.31608
7405.0000 -39.46362 -38.53314 0.93048 1.78236 -38.36592 512.41990
7410.0000 -39.47509 -38.46676 1.00833 1.78051 -38.37815 528.45943
7415.0000 -39.52916 -38.39976 1.12940 1.76667 -38.46968 495.05871
7420.0000 -39.15964 -37.96090 1.19874 1.80290 -38.23017 549.74403
7425.0000 -39.42571 -38.45491 0.97079 1.80324 -38.22788 552.07254
7430.0000 -39.65354 -38.71532 0.93822 1.76621 -38.47275 460.39037
7435.0000 -39.51620 -38.67357 0.84263 1.72748 -38.72878 406.10788
7440.0000 -39.60423 -38.76473 0.83950 1.73731 -38.66382 449.97631
7445.0000 -39.50385 -38.63538 0.86847 1.71880 -38.78619 407.41684
7450.0000 -39.74235 -38.56749 1.17487 1.75457 -38.54968 471.46979
7455.0000 -39.60646 -38.90515 0.70132 1.71438 -38.81538 403.59434
7460.0000 -39.82889 -38.94698 0.88191 1.69995 -38.91080 382.42995
7465.0000 -39.86277 -38.74324 1.11953 1.71222 -38.82965 388.84459
7470.0000 -39.44842 -38.63787 0.81055 1.73603 -38.67228 435.49854
7475.0000 -39.47218 -38.26828 1.20390 1.78368 -38.35721 499.52182
7480.0000 -39.54030 -38.44675 1.09355 1.76801 -38.46082 479.47128
7485.0000 -39.67363 -38.51058 1.16305 1.77891 -38.38872 501.63895
7490.0000 -39.89510 -38.50102 1.39408 1.75797 -38.52721 479.93780
7495.0000 -39.78501 -38.96721 0.81781 1.72228 -38.76318 448.93281
7500.0000 -39.73798 -38.90038 0.83760 1.68433 -39.01406 371.10973
FREEZING PROCESS: loop number 31 T-loop= 441.00000000000000
main_MD> interactions number 31 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21517 0.79159 2.14282
force_rgl> df(natom) -2.17269 -0.67770 1.25950
7505.0000 -39.90079 -38.58255 1.31823 1.71647 -38.80155 422.76750
7510.0000 -39.92642 -38.58153 1.34489 1.72276 -38.76001 433.13662
7515.0000 -39.57454 -38.35379 1.22075 1.76182 -38.50173 488.74654
7520.0000 -39.54555 -37.98297 1.56258 1.82098 -38.11062 566.48056
7525.0000 -39.51184 -38.24313 1.26871 1.78630 -38.33988 537.83537
7530.0000 -39.68856 -38.47944 1.20912 1.77094 -38.44147 507.41447
7535.0000 -39.06759 -38.32131 0.74627 1.80607 -38.20918 533.07965
7540.0000 -39.49171 -38.31989 1.17182 1.80359 -38.22560 504.45356
7545.0000 -39.82762 -38.88508 0.94254 1.76487 -38.48160 462.49961
7550.0000 -39.44430 -38.45951 0.98480 1.73265 -38.69458 429.43833
7555.0000 -39.72054 -38.89075 0.82979 1.72475 -38.74680 424.87833
7560.0000 -39.78280 -38.91088 0.87193 1.73071 -38.70745 422.26803
7565.0000 -39.68771 -38.71246 0.97525 1.73107 -38.70502 430.63780
7570.0000 -39.51380 -38.33822 1.17557 1.76300 -38.49394 449.91327
7575.0000 -39.44590 -38.38427 1.06163 1.76669 -38.46956 478.75241
7580.0000 -39.35822 -38.52707 0.83115 1.76881 -38.45555 471.64217
7585.0000 -39.62258 -38.40763 1.21496 1.77411 -38.42051 476.26248
7590.0000 -39.55308 -38.64002 0.91306 1.75229 -38.56474 464.51319
7595.0000 -39.65312 -39.08639 0.56672 1.70541 -38.87471 411.65035
7600.0000 -39.89305 -38.60711 1.28594 1.70589 -38.87154 402.17332
7605.0000 -39.48872 -38.25646 1.23226 1.77208 -38.43391 494.63857
7610.0000 -39.43210 -38.64687 0.78522 1.77091 -38.44166 495.42323
7615.0000 -39.56256 -38.55430 1.00826 1.72830 -38.72335 434.54960
7620.0000 -39.60895 -38.74673 0.86222 1.72236 -38.76267 402.20450
7625.0000 -39.32314 -38.23452 1.08862 1.73976 -38.64761 448.64364
7630.0000 -39.07596 -38.14952 0.92643 1.80920 -38.18847 520.32098
7635.0000 -39.68098 -38.94893 0.73205 1.76590 -38.47477 475.50689
7640.0000 -39.94652 -39.21571 0.73081 1.68181 -39.03073 354.01497
7645.0000 -39.86430 -39.10106 0.76323 1.64996 -39.24133 312.97485
7650.0000 -39.64264 -38.79374 0.84890 1.72589 -38.73931 425.95336
7655.0000 -39.73166 -38.59566 1.13600 1.72993 -38.71262 446.45368
7660.0000 -39.50339 -38.45223 1.05117 1.71147 -38.83463 399.88632
7665.0000 -39.87732 -39.11218 0.76514 1.72884 -38.71977 428.57519
7670.0000 -39.73811 -38.59325 1.14486 1.72004 -38.77800 423.56273
7675.0000 -39.69581 -38.87391 0.82189 1.73018 -38.71093 417.63903
7680.0000 -39.78175 -38.92562 0.85613 1.70703 -38.86401 382.00807
7685.0000 -39.75538 -38.80566 0.94973 1.74271 -38.62808 455.83585
7690.0000 -39.87817 -38.86489 1.01328 1.69982 -38.91168 392.80226
7695.0000 -39.51520 -38.58267 0.93253 1.73410 -38.68502 438.45407
7700.0000 -39.79275 -38.53647 1.25627 1.75106 -38.57285 470.02847
7705.0000 -39.91171 -39.02095 0.89076 1.73607 -38.67201 475.64925
7710.0000 -39.67381 -39.06511 0.60869 1.65467 -39.21014 335.38598
7715.0000 -39.82524 -38.66139 1.16386 1.71678 -38.79950 414.60167
7720.0000 -39.71052 -38.76794 0.94258 1.68818 -38.98858 371.87835
7725.0000 -39.51319 -38.39236 1.12083 1.76316 -38.49292 476.35039
7730.0000 -39.37333 -38.63911 0.73422 1.75489 -38.54757 463.93018
7735.0000 -39.52636 -38.51066 1.01570 1.76819 -38.45960 476.90509
7740.0000 -39.63785 -38.67643 0.96142 1.78936 -38.31968 521.51041
7745.0000 -39.77477 -38.83244 0.94234 1.73077 -38.70702 450.34729
7750.0000 -39.48842 -38.48836 1.00006 1.74906 -38.58612 413.79102
FREEZING PROCESS: loop number 32 T-loop= 416.00000000000000
main_MD> interactions number 32 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49451 1.06099 1.69351
force_rgl> df(natom) -0.49339 0.19164 -0.15841
7755.0000 -40.04963 -39.23531 0.81432 1.69366 -38.95239 364.76352
7760.0000 -40.06731 -39.10114 0.96617 1.65755 -39.19112 334.31867
7765.0000 -39.81419 -39.06648 0.74771 1.65356 -39.21751 315.39749
7770.0000 -39.74620 -38.83339 0.91280 1.67685 -39.06356 354.53347
7775.0000 -40.02443 -39.45044 0.57400 1.65325 -39.21955 325.40947
7780.0000 -39.59149 -38.88059 0.71091 1.68759 -38.99255 372.41851
7785.0000 -39.71434 -38.50348 1.21086 1.75796 -38.52730 451.88955
7790.0000 -39.48369 -38.46053 1.02317 1.75615 -38.53924 471.67174
7795.0000 -39.67872 -38.75426 0.92447 1.75503 -38.54661 461.50232
7800.0000 -39.80847 -38.80617 1.00229 1.71967 -38.78044 410.43876
7805.0000 -39.59987 -38.58458 1.01529 1.73188 -38.69970 442.70170
7810.0000 -39.82786 -38.96399 0.86387 1.72996 -38.71238 418.08980
7815.0000 -39.56438 -38.79016 0.77421 1.71650 -38.80135 407.35241
7820.0000 -39.67140 -38.73310 0.93830 1.73225 -38.69724 441.78027
7825.0000 -39.85533 -38.77506 1.08026 1.69431 -38.94807 379.35738
7830.0000 -39.93301 -39.12982 0.80319 1.71650 -38.80136 410.81822
7835.0000 -39.75596 -39.04497 0.71099 1.68093 -39.03654 349.74976
7840.0000 -39.97146 -39.28291 0.68855 1.66108 -39.16782 327.49017
7845.0000 -39.79990 -39.16988 0.63002 1.63593 -39.33406 301.35647
7850.0000 -39.64599 -38.93533 0.71066 1.64673 -39.26266 319.57408
7855.0000 -39.66008 -38.83037 0.82971 1.71012 -38.84353 403.47119
7860.0000 -39.67897 -38.95372 0.72525 1.70508 -38.87690 389.18865
7865.0000 -39.92625 -38.94646 0.97979 1.68894 -38.98358 364.39694
7870.0000 -39.79300 -39.07685 0.71615 1.70825 -38.85590 411.53007
7875.0000 -39.51643 -39.06080 0.45563 1.67341 -39.08627 352.30334
7880.0000 -40.04667 -38.91722 1.12945 1.71938 -38.78231 425.39749
7885.0000 -39.53731 -38.60719 0.93011 1.72817 -38.72425 405.81610
7890.0000 -39.72031 -38.95141 0.76890 1.70918 -38.84975 402.30624
7895.0000 -39.84916 -39.01802 0.83114 1.67617 -39.06804 347.78584
7900.0000 -39.86620 -38.85904 1.00715 1.69547 -38.94044 365.94576
7905.0000 -39.58730 -38.79787 0.78943 1.68074 -39.03781 377.27412
7910.0000 -39.63508 -38.78706 0.84802 1.72710 -38.73129 425.82257
7915.0000 -39.57146 -38.73093 0.84053 1.73822 -38.65779 442.64539
7920.0000 -39.91495 -39.19896 0.71599 1.69573 -38.93868 393.45471
7925.0000 -39.88977 -38.88087 1.00889 1.66757 -39.12489 356.02944
7930.0000 -39.67981 -38.47586 1.20395 1.73410 -38.68504 443.71547
7935.0000 -39.33151 -38.49345 0.83806 1.73218 -38.69768 425.12878
7940.0000 -39.45196 -38.37729 1.07467 1.73013 -38.71125 441.56774
7945.0000 -39.27676 -37.92132 1.35543 1.82234 -38.10161 555.64904
7950.0000 -39.74989 -38.75681 0.99308 1.78074 -38.37668 499.47388
7955.0000 -39.72258 -39.09119 0.63139 1.69218 -38.96217 381.22119
7960.0000 -39.76064 -38.96085 0.79979 1.70050 -38.90716 382.62919
7965.0000 -39.82938 -39.10961 0.71977 1.68330 -39.02087 379.44139
7970.0000 -39.56309 -38.79541 0.76768 1.69788 -38.92449 383.42227
7975.0000 -39.79535 -38.94404 0.85130 1.72459 -38.74788 420.94742
7980.0000 -39.56944 -38.89841 0.67103 1.70169 -38.89927 388.61632
7985.0000 -39.43109 -38.69011 0.74097 1.70833 -38.85536 400.08910
7990.0000 -39.93276 -39.05410 0.87865 1.71438 -38.81541 419.91586
7995.0000 -39.81475 -38.92301 0.89174 1.66692 -39.12917 343.29899
8000.0000 -39.68595 -39.04352 0.64243 1.68572 -39.00490 361.24497
FREEZING PROCESS: loop number 33 T-loop= 391.00000000000000
main_MD> interactions number 33 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13553 -4.53480 2.83591
force_rgl> df(natom) -0.49331 -1.09761 -1.86196
8005.0000 -40.00986 -39.27115 0.73870 1.65531 -39.20591 317.75000
8010.0000 -39.75646 -38.91886 0.83760 1.69150 -38.96669 371.62774
8015.0000 -39.98599 -39.21734 0.76865 1.67304 -39.08874 350.03693
8020.0000 -40.03450 -39.40353 0.63097 1.65108 -39.23394 328.24441
8025.0000 -39.96891 -39.05058 0.91833 1.66808 -39.12149 360.41106
8030.0000 -39.97010 -39.03273 0.93737 1.66880 -39.11674 351.69641
8035.0000 -39.77415 -39.05875 0.71540 1.70186 -38.89816 400.18083
8040.0000 -39.63473 -38.64207 0.99266 1.68256 -39.02579 370.02479
8045.0000 -39.79721 -38.70060 1.09661 1.72597 -38.73879 436.79295
8050.0000 -40.05019 -39.26543 0.78477 1.67253 -39.09211 348.45113
8055.0000 -39.88276 -38.67714 1.20562 1.70844 -38.85468 408.31714
8060.0000 -40.00559 -38.82244 1.18315 1.71715 -38.79706 431.58626
8065.0000 -39.97677 -39.40132 0.57544 1.70909 -38.85034 408.99035
8070.0000 -40.02933 -39.43657 0.59277 1.64078 -39.30197 311.64902
8075.0000 -39.53957 -38.85068 0.68889 1.67998 -39.04284 354.57086
8080.0000 -39.77292 -39.00368 0.76923 1.70037 -38.90804 376.27880
8085.0000 -39.68448 -38.98613 0.69835 1.69453 -38.94661 381.29599
8090.0000 -39.84990 -38.76900 1.08090 1.70988 -38.84518 405.65762
8095.0000 -39.86625 -38.85050 1.01575 1.75328 -38.55819 479.65159
8100.0000 -39.81281 -38.95297 0.85984 1.73389 -38.68643 443.56795
8105.0000 -39.63671 -38.77226 0.86445 1.72916 -38.71765 448.66124
8110.0000 -39.88858 -39.03945 0.84913 1.70553 -38.87390 384.86257
8115.0000 -39.97823 -39.14888 0.82935 1.66398 -39.14863 348.35619
8120.0000 -39.40104 -38.65149 0.74955 1.72594 -38.73893 420.34850
8125.0000 -39.97055 -39.10227 0.86828 1.71105 -38.83744 401.39342
8130.0000 -40.01900 -39.23506 0.78394 1.64575 -39.26914 311.42417
8135.0000 -39.66675 -39.04530 0.62145 1.65812 -39.18737 336.54271
8140.0000 -39.71289 -38.76018 0.95271 1.73583 -38.67360 431.93893
8145.0000 -39.37078 -38.22647 1.14431 1.75681 -38.53485 448.77019
8150.0000 -39.84974 -38.31226 1.53749 1.78269 -38.36377 493.09725
8155.0000 -39.71568 -38.68582 1.02986 1.74963 -38.58233 477.21288
8160.0000 -39.63006 -38.92141 0.70865 1.72529 -38.74326 429.67975
8165.0000 -39.64426 -38.78196 0.86230 1.70107 -38.90337 379.11068
8170.0000 -39.80354 -38.95828 0.84526 1.69024 -38.97501 364.73887
8175.0000 -39.98927 -39.12609 0.86319 1.67317 -39.08785 352.36078
8180.0000 -39.66016 -38.84979 0.81037 1.69379 -38.95152 389.31968
8185.0000 -39.50008 -38.62082 0.87926 1.71126 -38.83601 399.46435
8190.0000 -38.98274 -38.06127 0.92147 1.76957 -38.45052 479.88591
8195.0000 -39.98336 -38.44028 1.54308 1.75828 -38.52516 483.57372
8200.0000 -39.78794 -38.90778 0.88016 1.72711 -38.73121 415.84662
8205.0000 -39.47190 -38.90668 0.56522 1.72068 -38.77376 427.94262
8210.0000 -39.77513 -38.62300 1.15213 1.70750 -38.86091 425.42629
8215.0000 -40.13052 -39.26169 0.86883 1.69389 -38.95088 370.18184
8220.0000 -39.79021 -38.95364 0.83657 1.68567 -39.00520 368.46602
8225.0000 -39.79820 -38.94009 0.85811 1.68915 -38.98219 376.50137
8230.0000 -39.80780 -38.88720 0.92060 1.68676 -38.99802 383.71944
8235.0000 -39.70032 -38.51830 1.18203 1.73879 -38.65403 459.92976
8240.0000 -39.77660 -38.95546 0.82114 1.72269 -38.76046 442.54532
8245.0000 -39.86976 -39.05835 0.81142 1.71965 -38.78054 438.33339
8250.0000 -40.00758 -39.44203 0.56555 1.64646 -39.26447 305.04878
FREEZING PROCESS: loop number 34 T-loop= 366.00000000000000
main_MD> interactions number 34 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22690 0.39029 -3.87774
force_rgl> df(natom) 0.69602 -0.18232 1.13596
8255.0000 -39.87749 -39.01360 0.86388 1.65395 -39.21494 324.13360
8260.0000 -40.07088 -39.40606 0.66482 1.65646 -39.19831 338.28861
8265.0000 -39.76618 -39.12411 0.64207 1.63915 -39.31281 303.08390
8270.0000 -39.85519 -38.81045 1.04474 1.71329 -38.82262 397.39264
8275.0000 -39.82390 -38.92171 0.90219 1.70766 -38.85985 400.42526
8280.0000 -39.57016 -38.50847 1.06169 1.72116 -38.77058 404.14780
8285.0000 -39.61755 -38.84634 0.77121 1.74040 -38.64335 431.15528
8290.0000 -39.56016 -38.91050 0.64966 1.69458 -38.94628 372.08947
8295.0000 -39.94024 -39.08403 0.85621 1.66059 -39.17104 305.21691
8300.0000 -39.73381 -38.95418 0.77962 1.67343 -39.08615 344.74351
8305.0000 -39.80273 -39.09564 0.70709 1.66043 -39.17208 327.79910
8310.0000 -39.77633 -39.21701 0.55932 1.68306 -39.02250 357.46096
8315.0000 -39.76187 -38.62954 1.13232 1.67835 -39.05360 339.64059
8320.0000 -39.74801 -39.04503 0.70297 1.68149 -39.03288 337.90146
8325.0000 -39.77796 -38.98842 0.78954 1.67732 -39.06040 348.49772
8330.0000 -39.67061 -39.07114 0.59948 1.65871 -39.18345 325.56073
8335.0000 -39.78703 -38.70714 1.07988 1.68932 -38.98110 348.00709
8340.0000 -40.01080 -39.15712 0.85368 1.68032 -39.04059 342.20409
8345.0000 -39.76566 -38.77056 0.99510 1.68128 -39.03423 368.67781
8350.0000 -39.92147 -39.24772 0.67374 1.67388 -39.08318 360.83245
8355.0000 -39.89993 -38.93609 0.96384 1.67186 -39.09649 358.14906
8360.0000 -39.89023 -39.35981 0.53042 1.66538 -39.13934 344.42055
8365.0000 -40.04308 -39.27401 0.76907 1.66297 -39.15532 361.49705
8370.0000 -39.65389 -38.83438 0.81951 1.66929 -39.11351 345.78589
8375.0000 -39.74824 -39.09235 0.65590 1.69443 -38.94731 379.76254
8380.0000 -39.78735 -38.87060 0.91675 1.70107 -38.90342 399.76973
8385.0000 -39.70939 -38.91909 0.79030 1.67973 -39.04448 371.11245
8390.0000 -39.74662 -38.64711 1.09951 1.73350 -38.68900 465.77702
8395.0000 -39.84898 -38.96865 0.88034 1.70705 -38.86383 389.95060
8400.0000 -39.32516 -38.58195 0.74320 1.70455 -38.88037 408.02797
8405.0000 -39.82489 -38.38609 1.43881 1.76749 -38.46426 478.52608
8410.0000 -39.80726 -39.13201 0.67525 1.72295 -38.75872 425.34740
8415.0000 -39.83260 -39.21073 0.62187 1.65669 -39.19684 318.81169
8420.0000 -39.88614 -39.37374 0.51240 1.65825 -39.18653 329.79036
8425.0000 -39.93380 -39.08868 0.84512 1.65154 -39.23088 320.57743
8430.0000 -40.06020 -39.24419 0.81601 1.66570 -39.13726 351.64210
8435.0000 -39.93934 -39.03447 0.90488 1.68803 -38.98962 369.89469
8440.0000 -39.78914 -38.76378 1.02537 1.70606 -38.87044 399.26250
8445.0000 -39.71002 -38.71394 0.99608 1.73240 -38.69622 438.86287
8450.0000 -39.87859 -39.01977 0.85882 1.71205 -38.83082 391.99135
8455.0000 -39.76386 -38.98637 0.77748 1.68491 -39.01022 371.05719
8460.0000 -39.43419 -38.73675 0.69743 1.70815 -38.85659 399.27294
8465.0000 -39.81984 -38.80680 1.01304 1.73228 -38.69702 435.63978
8470.0000 -39.60284 -38.81766 0.78518 1.69761 -38.92628 378.81880
8475.0000 -39.56166 -38.72371 0.83795 1.70550 -38.87412 389.31142
8480.0000 -40.02995 -39.19232 0.83764 1.69455 -38.94648 381.16366
8485.0000 -39.72172 -39.02774 0.69398 1.65113 -39.23359 324.39295
8490.0000 -40.07902 -39.41730 0.66173 1.64556 -39.27041 323.24803
8495.0000 -40.02151 -39.44156 0.57995 1.61013 -39.50466 270.65360
8500.0000 -39.98480 -39.33145 0.65335 1.62800 -39.38647 294.32229
FREEZING PROCESS: loop number 35 T-loop= 341.00000000000000
main_MD> interactions number 35 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.76988 -1.65088 -0.83347
force_rgl> df(natom) -1.61509 -1.00628 1.45678
8505.0000 -39.88441 -39.08357 0.80083 1.66368 -39.15057 333.24748
8510.0000 -39.93031 -39.22814 0.70217 1.63650 -39.33030 314.12844
8515.0000 -40.17791 -39.68825 0.48966 1.63134 -39.36443 312.40702
8520.0000 -39.97385 -39.36591 0.60794 1.60862 -39.51463 265.20055
8525.0000 -39.79994 -38.79378 1.00616 1.69275 -38.95842 379.50806
8530.0000 -39.88932 -38.98416 0.90516 1.68184 -39.03055 373.38897
8535.0000 -39.72657 -39.07756 0.64902 1.66396 -39.14875 347.53501
8540.0000 -40.13222 -39.42058 0.71164 1.66115 -39.16731 340.96809
8545.0000 -39.99808 -39.16677 0.83131 1.63060 -39.36933 297.33378
8550.0000 -39.80521 -39.33727 0.46794 1.66332 -39.15297 323.26131
8555.0000 -39.76553 -39.13722 0.62831 1.66156 -39.16464 325.64189
8560.0000 -39.89321 -39.36071 0.53250 1.66037 -39.17249 335.69100
8565.0000 -39.95486 -39.29457 0.66028 1.62183 -39.42731 269.24172
8570.0000 -40.03259 -39.08693 0.94566 1.65439 -39.21203 329.74763
8575.0000 -40.01350 -39.18334 0.83016 1.67011 -39.10807 353.33876
8580.0000 -39.95880 -39.26377 0.69504 1.65950 -39.17824 349.44765
8585.0000 -39.84153 -39.08735 0.75418 1.64875 -39.24931 304.24823
8590.0000 -39.82440 -39.05255 0.77184 1.69609 -38.93632 380.74245
8595.0000 -39.82844 -39.08299 0.74545 1.65717 -39.19362 331.30364
8600.0000 -39.95893 -39.32349 0.63544 1.65365 -39.21689 339.67238
8605.0000 -40.05963 -39.42543 0.63421 1.62647 -39.39659 266.90470
8610.0000 -39.72082 -38.88692 0.83389 1.65813 -39.18731 334.33673
8615.0000 -40.02456 -38.96790 1.05666 1.68080 -39.03743 370.54473
8620.0000 -39.85310 -38.99605 0.85706 1.68571 -39.00494 391.28066
8625.0000 -39.97852 -39.45094 0.52758 1.63231 -39.35798 297.62559
8630.0000 -39.59599 -38.93527 0.66072 1.63130 -39.36465 295.68997
8635.0000 -39.87835 -39.31732 0.56102 1.66715 -39.12768 321.24221
8640.0000 -40.01902 -39.22903 0.78999 1.62909 -39.37928 271.07897
8645.0000 -40.04624 -39.41404 0.63220 1.63534 -39.33798 282.34610
8650.0000 -39.69759 -39.08244 0.61515 1.65652 -39.19794 316.05743
8655.0000 -39.85613 -38.73957 1.11655 1.72592 -38.73908 442.75540
8660.0000 -40.00024 -38.81797 1.18227 1.70634 -38.86857 413.53287
8665.0000 -39.67364 -38.93308 0.74056 1.71595 -38.80502 412.26246
8670.0000 -39.90234 -39.14191 0.76043 1.67126 -39.10050 351.39163
8675.0000 -39.90942 -39.08286 0.82656 1.66138 -39.16577 331.28039
8680.0000 -39.83313 -39.12302 0.71011 1.66561 -39.13784 335.27606
8685.0000 -39.92190 -39.09390 0.82800 1.68068 -39.03823 351.11598
8690.0000 -39.91637 -39.33685 0.57952 1.65062 -39.23693 320.16982
8695.0000 -39.91934 -39.15412 0.76522 1.66750 -39.12536 341.08436
8700.0000 -39.98314 -39.43310 0.55004 1.65467 -39.21018 326.27055
8705.0000 -39.78960 -39.24916 0.54044 1.63552 -39.33675 282.28806
8710.0000 -39.86282 -38.83590 1.02692 1.66251 -39.15833 341.50291
8715.0000 -39.73532 -38.78219 0.95312 1.70031 -38.90843 413.81673
8720.0000 -39.93889 -39.29717 0.64172 1.66159 -39.16443 338.08822
8725.0000 -39.91128 -39.21461 0.69667 1.65349 -39.21797 332.66484
8730.0000 -39.97373 -39.32124 0.65249 1.63866 -39.31599 309.09315
8735.0000 -40.10069 -39.41576 0.68494 1.64428 -39.27883 312.29590
8740.0000 -40.01635 -39.20313 0.81322 1.65126 -39.23271 328.30950
8745.0000 -40.10385 -39.34923 0.75462 1.66632 -39.13312 349.85365
8750.0000 -39.98501 -39.22388 0.76114 1.62849 -39.38328 293.59000
FREEZING PROCESS: loop number 36 T-loop= 316.00000000000000
main_MD> interactions number 36 at Temperature= 316.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.98348 1.08358 -1.24045
force_rgl> df(natom) 0.73838 -0.49334 -0.46283
8755.0000 -39.83701 -39.00724 0.82977 1.64893 -39.24813 320.22990
8760.0000 -39.99634 -39.20935 0.78699 1.65119 -39.23318 318.53711
8765.0000 -40.03176 -39.24450 0.78726 1.66685 -39.12966 349.14425
8770.0000 -39.94066 -39.46295 0.47771 1.64329 -39.28543 306.15299
8775.0000 -40.25909 -39.67454 0.58455 1.62273 -39.42136 282.46884
8780.0000 -40.07483 -39.28271 0.79212 1.61573 -39.46765 284.15582
8785.0000 -39.64753 -38.68630 0.96123 1.66135 -39.16601 333.69743
8790.0000 -39.93439 -39.43554 0.49886 1.67722 -39.06110 341.39921
8795.0000 -40.02767 -39.47633 0.55134 1.61319 -39.48444 278.14166
8800.0000 -40.19244 -39.35016 0.84228 1.63361 -39.34942 284.78846
8805.0000 -39.91813 -39.34781 0.57032 1.63404 -39.34656 278.17391
8810.0000 -39.98050 -39.34024 0.64026 1.64793 -39.25472 284.96101
8815.0000 -39.74441 -38.81769 0.92672 1.65319 -39.21993 295.71793
8820.0000 -40.00761 -39.17129 0.83632 1.67343 -39.08612 332.84833
8825.0000 -40.08481 -39.40849 0.67632 1.65801 -39.18811 344.35709
8830.0000 -39.91940 -39.27261 0.64679 1.61747 -39.45608 285.16341
8835.0000 -39.92715 -38.97993 0.94722 1.64609 -39.26686 329.19259
8840.0000 -39.94491 -39.21948 0.72543 1.66907 -39.11496 362.07442
8845.0000 -39.83687 -39.17928 0.65759 1.63807 -39.31990 308.91187
8850.0000 -39.93721 -39.28182 0.65539 1.65091 -39.23500 317.68305
8855.0000 -39.76031 -39.02949 0.73082 1.64477 -39.27561 313.94563
8860.0000 -39.91387 -39.25416 0.65972 1.66513 -39.14098 332.96758
8865.0000 -40.07493 -39.15117 0.92376 1.62570 -39.40169 287.55633
8870.0000 -39.91831 -39.23431 0.68400 1.67864 -39.05171 350.95861
8875.0000 -39.99363 -39.24559 0.74804 1.64920 -39.24630 311.03874
8880.0000 -39.75469 -39.08771 0.66698 1.64899 -39.24771 319.75543
8885.0000 -39.76862 -39.13458 0.63404 1.67908 -39.04880 363.42893
8890.0000 -39.80132 -39.01116 0.79016 1.68368 -39.01838 353.92235
8895.0000 -39.92026 -39.03152 0.88874 1.66376 -39.15004 327.38943
8900.0000 -39.68429 -38.88624 0.79805 1.68804 -38.98953 378.64720
8905.0000 -39.72909 -39.04446 0.68464 1.69671 -38.93225 397.29955
8910.0000 -40.20528 -39.65149 0.55379 1.62405 -39.41261 258.42158
8915.0000 -39.87200 -39.26730 0.60470 1.63261 -39.35601 275.14665
8920.0000 -40.20576 -39.36118 0.84457 1.64622 -39.26604 290.30622
8925.0000 -39.99656 -39.50252 0.49405 1.64935 -39.24536 302.58077
8930.0000 -39.84978 -39.29644 0.55334 1.63447 -39.34370 283.96104
8935.0000 -39.92509 -39.12227 0.80282 1.62798 -39.38664 264.37898
8940.0000 -39.75289 -39.14943 0.60345 1.67820 -39.05463 347.56135
8945.0000 -40.14085 -39.49579 0.64506 1.63206 -39.35968 294.83401
8950.0000 -39.72681 -39.07830 0.64851 1.64832 -39.25212 299.88202
8955.0000 -40.01071 -39.03090 0.97981 1.67704 -39.06230 342.40639
8960.0000 -39.88312 -39.18299 0.70012 1.64744 -39.25798 297.27304
8965.0000 -39.68022 -39.00107 0.67915 1.68100 -39.03608 341.69048
8970.0000 -39.87106 -39.02104 0.85001 1.66840 -39.11939 318.70638
8975.0000 -39.75448 -39.10445 0.65004 1.67467 -39.07794 339.94097
8980.0000 -39.87578 -39.22290 0.65288 1.68959 -38.97931 378.97834
8985.0000 -39.94324 -39.40079 0.54245 1.65503 -39.20782 324.29238
8990.0000 -39.92175 -39.15166 0.77009 1.62235 -39.42386 268.69613
8995.0000 -39.79069 -39.13670 0.65398 1.66678 -39.13009 345.12690
9000.0000 -39.84009 -39.24790 0.59219 1.64100 -39.30055 311.11975
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 25.6554941 [s].
main_MD> Deallocating global variables
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