tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_38/freeze.log

2034 lines
201 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_38.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 = 38 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: 38 3800
main_MD> Size of nv and nvoiz: 38 3800
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 = 38
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.16536113997543522 -2.5722826389541802E-002 -0.20301905425214153 initial drift of cluster / NP1 for coalescence
init> 0.37568818929269715 0.32067522386841185 0.24214375178572048 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7531698272126575E-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) -2.42986 2.09905 2.46160
force_rgl> df(natom) 0.46979 3.75273 2.62631
preparo> THERMALIZATION PROCESS AT 1222.5764151617366
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -80.058989619139922 5.5253329397266899 -85.584322558866617 6.1952200083640360E-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= 1197.0000000000000
main_MD> interactions number 1 at Temperature= 1197.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.59237 -1.02037 1.39588
force_rgl> df(natom) -0.49608 5.79221 6.79896
5.0000 -86.10771 -79.77984 6.32787 2.77089 -80.78099 1215.58741
10.0000 -86.93588 -80.73212 6.20377 2.81008 -80.33798 1279.66069
15.0000 -86.08579 -81.36047 4.72532 2.71217 -81.44466 1118.37096
20.0000 -88.18158 -81.30896 6.87261 2.65908 -82.04470 1061.93296
25.0000 -84.54776 -78.70714 5.84061 2.87232 -79.63451 1319.44403
30.0000 -86.95083 -80.54201 6.40882 2.82464 -80.17340 1255.33010
35.0000 -87.31106 -82.11604 5.19502 2.69984 -81.58400 1169.65051
40.0000 -86.57553 -79.79234 6.78319 2.75941 -80.91071 1210.68730
45.0000 -85.54756 -79.59497 5.95258 2.85619 -79.81678 1234.90790
50.0000 -85.98415 -80.67634 5.30781 2.75752 -80.93214 1165.35443
55.0000 -86.81152 -80.49846 6.31306 2.81323 -80.30239 1247.31116
60.0000 -87.06657 -82.08270 4.98387 2.69779 -81.60721 1134.43355
65.0000 -86.90775 -79.81228 7.09548 2.88137 -79.53222 1274.90909
70.0000 -88.36472 -82.78705 5.57767 2.78064 -80.67075 1164.42383
75.0000 -88.40353 -82.25713 6.14640 2.57721 -82.97006 1023.19418
80.0000 -87.18770 -80.51359 6.67411 2.71978 -81.35869 1159.63420
85.0000 -84.85108 -79.24694 5.60414 2.90771 -79.23446 1327.16862
90.0000 -87.24680 -81.93912 5.30768 2.78946 -80.57106 1217.85245
95.0000 -87.23856 -80.76665 6.47191 2.69502 -81.63852 1122.64052
100.0000 -86.28323 -81.23346 5.04978 2.78721 -80.59651 1237.25095
105.0000 -84.27152 -77.70745 6.56408 2.89954 -79.32684 1277.38884
110.0000 -85.90696 -79.08373 6.82323 3.00037 -78.18714 1431.16059
115.0000 -85.96272 -79.06848 6.89424 2.95071 -78.74843 1377.58005
120.0000 -86.29867 -79.94720 6.35147 2.82534 -80.16553 1300.77039
125.0000 -86.17916 -80.97420 5.20496 2.82544 -80.16438 1221.24149
130.0000 -85.28834 -79.91054 5.37780 2.76686 -80.82648 1174.80398
135.0000 -87.26015 -80.70343 6.55673 2.84299 -79.96601 1244.13540
140.0000 -86.36012 -80.12917 6.23095 2.81843 -80.24358 1256.54498
145.0000 -86.32143 -80.24757 6.07385 2.78380 -80.63503 1187.83290
150.0000 -86.75734 -79.22781 7.52954 2.90812 -79.22988 1305.61490
155.0000 -85.40397 -79.24056 6.16341 2.92526 -79.03615 1300.60963
160.0000 -85.62105 -80.57121 5.04984 2.87250 -79.63253 1278.02321
165.0000 -85.82030 -79.51399 6.30630 2.84595 -79.93256 1262.34520
170.0000 -85.72845 -78.54635 7.18210 2.91793 -79.11897 1285.22503
175.0000 -84.58337 -77.71010 6.87327 2.99720 -78.22306 1314.49503
180.0000 -86.63089 -80.91621 5.71468 2.99005 -78.30385 1353.26820
185.0000 -86.43406 -79.91264 6.52142 2.74464 -81.07764 1153.99013
190.0000 -85.18367 -79.46217 5.72150 2.85634 -79.81516 1271.82272
195.0000 -84.80871 -78.95002 5.85869 2.86472 -79.72044 1259.31226
200.0000 -86.72250 -81.20935 5.51315 2.80867 -80.35395 1208.17315
205.0000 -86.41531 -80.56581 5.84950 2.77743 -80.70709 1210.93867
210.0000 -87.20058 -81.02317 6.17741 2.76859 -80.80692 1246.06635
215.0000 -87.33004 -80.57550 6.75453 2.73107 -81.23105 1198.29767
220.0000 -85.76101 -79.40142 6.35959 2.82574 -80.16096 1295.21306
225.0000 -85.04742 -78.52973 6.51769 2.95021 -78.75415 1283.94654
230.0000 -85.27003 -78.36843 6.90160 2.98509 -78.35993 1348.84083
235.0000 -85.52237 -81.19801 4.32436 2.89644 -79.36190 1235.30440
240.0000 -86.58337 -79.91643 6.66694 2.74020 -81.12783 1184.78833
245.0000 -85.31466 -78.51365 6.80101 2.86247 -79.74579 1277.73766
250.0000 -84.49233 -78.84941 5.64292 2.93109 -78.97030 1332.12888
FREEZING PROCESS: loop number 2 T-loop= 1172.0000000000000
main_MD> interactions number 2 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77683 -1.16890 4.76989
force_rgl> df(natom) 8.02704 2.54767 1.97475
255.0000 -86.73146 -81.30881 5.42265 2.82311 -80.19074 1234.61727
260.0000 -86.98326 -80.60345 6.37980 2.77209 -80.76746 1212.27108
265.0000 -87.90979 -80.92573 6.98407 2.79111 -80.55242 1225.44756
270.0000 -84.65154 -79.01678 5.63476 2.82109 -80.21357 1218.18062
275.0000 -85.53741 -79.70532 5.83208 2.90320 -79.28553 1283.26340
280.0000 -85.86255 -78.65897 7.20357 2.98735 -78.33431 1385.24294
285.0000 -86.99428 -81.52117 5.47310 2.75559 -80.95395 1215.95240
290.0000 -86.70013 -81.11451 5.58561 2.69610 -81.62632 1122.13250
295.0000 -85.73296 -80.60985 5.12312 2.75033 -81.01340 1183.66008
300.0000 -88.10542 -82.48783 5.61759 2.71075 -81.46077 1145.66723
305.0000 -86.62951 -81.08863 5.54089 2.65634 -82.07569 1036.02493
310.0000 -86.20550 -80.79846 5.40704 2.82314 -80.19043 1289.19288
315.0000 -87.70395 -81.83367 5.87028 2.72136 -81.34083 1178.17105
320.0000 -88.42053 -83.15444 5.26609 2.63099 -82.36221 1119.54792
325.0000 -88.09941 -82.81745 5.28196 2.64743 -82.17638 1095.22572
330.0000 -88.44896 -82.57709 5.87187 2.63021 -82.37110 1070.05837
335.0000 -84.81976 -79.32426 5.49550 2.76046 -80.89891 1219.67840
340.0000 -87.08363 -81.48003 5.60361 2.84949 -79.89253 1285.56389
345.0000 -87.46504 -81.77703 5.68801 2.71426 -81.42106 1177.76157
350.0000 -85.48466 -79.70601 5.77865 2.74497 -81.07394 1117.90720
355.0000 -85.05939 -78.97162 6.08778 2.88555 -79.48501 1272.41714
360.0000 -86.38596 -79.40967 6.97629 2.89458 -79.38297 1235.59664
365.0000 -86.48878 -80.05728 6.43150 2.87075 -79.65231 1248.15529
370.0000 -85.43145 -79.71146 5.71999 2.86034 -79.76992 1239.12654
375.0000 -87.04838 -80.30022 6.74816 2.81808 -80.24763 1269.40144
380.0000 -86.31536 -79.45229 6.86307 2.83741 -80.02912 1273.95452
385.0000 -87.26913 -79.73390 7.53524 2.85448 -79.83611 1217.14925
390.0000 -87.25997 -81.05035 6.20962 2.77593 -80.72400 1255.95245
395.0000 -85.77252 -80.29383 5.47869 2.77007 -80.79029 1217.25897
400.0000 -87.41051 -81.55574 5.85477 2.76104 -80.89224 1180.24997
405.0000 -87.37527 -82.58263 4.79265 2.68433 -81.75929 1131.25363
410.0000 -87.62390 -81.38587 6.23802 2.65769 -82.06045 1137.19138
415.0000 -86.62242 -80.79479 5.82762 2.81746 -80.25461 1264.11330
420.0000 -86.52208 -80.08212 6.43996 2.75166 -80.99832 1144.83890
425.0000 -86.59887 -79.64546 6.95341 2.88792 -79.45823 1315.96399
430.0000 -85.35210 -79.15074 6.20136 2.87419 -79.61334 1263.93536
435.0000 -86.99377 -80.78714 6.20663 2.80060 -80.44511 1237.05163
440.0000 -86.47058 -80.28717 6.18341 2.71899 -81.36758 1119.21701
445.0000 -87.88970 -81.79691 6.09280 2.69827 -81.60181 1134.31424
450.0000 -87.09001 -81.44962 5.64039 2.71171 -81.44988 1149.78606
455.0000 -87.23091 -81.64400 5.58691 2.69836 -81.60072 1116.14699
460.0000 -85.27560 -79.41110 5.86450 2.78630 -80.60673 1225.28902
465.0000 -87.63793 -81.65530 5.98263 2.73907 -81.14064 1150.71155
470.0000 -88.04628 -81.85334 6.19294 2.63349 -82.33396 1110.44617
475.0000 -88.74517 -83.63091 5.11426 2.66062 -82.02731 1099.03593
480.0000 -88.51893 -83.27863 5.24029 2.56583 -83.09870 1102.15993
485.0000 -87.28324 -80.73924 6.54400 2.68640 -81.73600 1157.84331
490.0000 -87.75385 -82.11740 5.63645 2.72620 -81.28608 1141.21294
495.0000 -88.04918 -82.97215 5.07702 2.64427 -82.21217 1070.34056
500.0000 -88.67418 -81.95167 6.72251 2.64351 -82.22076 1119.69894
FREEZING PROCESS: loop number 3 T-loop= 1147.0000000000000
main_MD> interactions number 3 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13577 5.55168 -2.16445
force_rgl> df(natom) 1.14152 1.62525 0.64668
505.0000 -87.44430 -82.27181 5.17249 2.65504 -82.09046 1103.23783
510.0000 -87.52794 -80.38153 7.14641 2.67338 -81.88312 1107.61055
515.0000 -87.13246 -80.02069 7.11178 2.84503 -79.94301 1254.56530
520.0000 -85.58406 -79.91332 5.67074 2.77761 -80.70499 1156.39030
525.0000 -87.29772 -82.28368 5.01404 2.72841 -81.26106 1124.94053
530.0000 -87.21275 -81.87119 5.34156 2.63573 -82.30867 1047.16047
535.0000 -88.31733 -80.07081 8.24652 2.74440 -81.08036 1178.90813
540.0000 -87.24071 -81.40317 5.83754 2.77420 -80.74359 1224.11335
545.0000 -85.86181 -80.68099 5.18082 2.71751 -81.38430 1151.96170
550.0000 -87.61110 -81.37476 6.23633 2.70460 -81.53026 1107.20707
555.0000 -88.05903 -83.31462 4.74442 2.64547 -82.19861 1115.63085
560.0000 -86.91062 -81.77996 5.13066 2.55786 -83.18883 1027.84729
565.0000 -86.73362 -81.41056 5.32305 2.66986 -81.92285 1072.72537
570.0000 -88.28604 -82.36164 5.92440 2.71993 -81.35700 1155.35329
575.0000 -87.88202 -81.95635 5.92566 2.71554 -81.40655 1128.07131
580.0000 -86.09622 -79.99620 6.10002 2.69376 -81.65276 1138.45437
585.0000 -86.35418 -80.63832 5.71586 2.84704 -79.92025 1276.07117
590.0000 -87.31978 -81.60871 5.71108 2.72537 -81.29552 1129.26056
595.0000 -86.89898 -81.89226 5.00672 2.69220 -81.67035 1102.93523
600.0000 -87.35286 -82.65457 4.69829 2.61619 -82.52956 1018.35107
605.0000 -87.23893 -82.16838 5.07055 2.64490 -82.20496 1061.56978
610.0000 -86.17391 -79.60925 6.56467 2.74165 -81.11146 1198.89380
615.0000 -85.91960 -80.32378 5.59582 2.78464 -80.62556 1255.42794
620.0000 -84.90458 -79.16972 5.73486 2.88182 -79.52712 1273.60487
625.0000 -85.18938 -80.04970 5.13968 2.86708 -79.69378 1238.45158
630.0000 -85.86139 -80.52012 5.34127 2.83377 -80.07021 1281.04737
635.0000 -86.44428 -81.26110 5.18318 2.71838 -81.37448 1150.49631
640.0000 -86.44091 -81.57182 4.86909 2.69516 -81.63695 1157.34283
645.0000 -88.12741 -82.47283 5.65457 2.69358 -81.65478 1129.30264
650.0000 -85.39407 -80.54380 4.85027 2.69733 -81.61238 1124.33581
655.0000 -86.61290 -80.57344 6.03947 2.76555 -80.84137 1156.02796
660.0000 -86.33220 -80.48531 5.84689 2.80519 -80.39323 1232.18391
665.0000 -85.65298 -79.99048 5.66251 2.77033 -80.78734 1121.61086
670.0000 -85.77883 -80.63524 5.14359 2.75213 -80.99303 1127.28240
675.0000 -86.24048 -80.46756 5.77292 2.79035 -80.56099 1190.09762
680.0000 -87.26774 -81.53693 5.73082 2.75864 -80.91947 1199.13319
685.0000 -85.47388 -79.88856 5.58532 2.71684 -81.39192 1141.98212
690.0000 -87.41439 -80.96620 6.44819 2.81161 -80.32072 1240.25434
695.0000 -87.47456 -80.45389 7.02067 2.78285 -80.64584 1184.99938
700.0000 -87.26483 -80.96137 6.30346 2.83722 -80.03127 1240.32239
705.0000 -86.17255 -79.98571 6.18685 2.73042 -81.23845 1155.83622
710.0000 -85.48369 -79.53530 5.94840 2.98181 -78.39696 1354.44622
715.0000 -86.85209 -81.88498 4.96711 2.80841 -80.35693 1245.95590
720.0000 -87.11402 -81.28478 5.82924 2.69498 -81.63897 1148.21990
725.0000 -86.73080 -80.68287 6.04793 2.72136 -81.34081 1179.12872
730.0000 -85.85756 -80.79338 5.06419 2.83715 -80.03206 1288.58315
735.0000 -86.16770 -81.42795 4.73975 2.83444 -80.06267 1222.39710
740.0000 -86.80583 -81.66896 5.13686 2.76315 -80.86841 1155.57909
745.0000 -86.76156 -81.37430 5.38726 2.72755 -81.27083 1147.15319
750.0000 -88.53810 -83.06680 5.47130 2.66841 -81.93925 1146.55545
FREEZING PROCESS: loop number 4 T-loop= 1122.0000000000000
main_MD> interactions number 4 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.03836 -3.34063 -0.29754
force_rgl> df(natom) 0.47492 -3.47383 -1.86442
755.0000 -88.15554 -81.31564 6.83990 2.69293 -81.66209 1125.07044
760.0000 -87.49234 -82.05087 5.44147 2.70068 -81.57453 1123.70935
765.0000 -87.98262 -81.85408 6.12854 2.65258 -82.11817 1062.18971
770.0000 -86.81767 -81.32561 5.49206 2.69879 -81.59596 1162.60832
775.0000 -85.29010 -79.44629 5.84381 2.76522 -80.84505 1229.91670
780.0000 -87.09591 -80.87964 6.21628 2.81331 -80.30153 1247.45073
785.0000 -86.64059 -80.73433 5.90626 2.71173 -81.44960 1165.51953
790.0000 -84.88551 -78.60214 6.28337 2.95010 -78.75534 1351.06196
795.0000 -86.79502 -82.09604 4.69898 2.79601 -80.49704 1202.26164
800.0000 -87.26927 -81.81527 5.45400 2.69677 -81.61877 1121.35348
805.0000 -88.26859 -83.08168 5.18692 2.65118 -82.13406 1075.05680
810.0000 -87.89086 -81.51958 6.37128 2.59460 -82.77359 1064.58750
815.0000 -86.88951 -81.79664 5.09286 2.65908 -82.04472 1076.09055
820.0000 -86.75253 -81.28451 5.46801 2.71913 -81.36602 1159.68584
825.0000 -87.25190 -82.06649 5.18542 2.64894 -82.15934 1070.24696
830.0000 -88.71934 -83.56173 5.15761 2.60942 -82.60599 1051.20985
835.0000 -87.94271 -82.60240 5.34030 2.53103 -83.49207 1013.80271
840.0000 -88.29840 -82.22850 6.06990 2.66535 -81.97386 1138.82828
845.0000 -87.05923 -81.22934 5.82990 2.73211 -81.21927 1166.78217
850.0000 -87.78722 -81.77764 6.00958 2.70305 -81.54777 1162.01841
855.0000 -86.14571 -81.02594 5.11977 2.72301 -81.32216 1194.83148
860.0000 -85.62815 -80.11933 5.50883 2.82220 -80.20098 1228.31766
865.0000 -87.98952 -80.38940 7.60012 2.87089 -79.65065 1283.64658
870.0000 -86.97018 -81.40899 5.56120 2.75178 -80.99700 1157.99575
875.0000 -86.09869 -80.08418 6.01451 2.80218 -80.42734 1201.24906
880.0000 -87.31620 -81.92616 5.39004 2.74503 -81.07321 1147.18893
885.0000 -88.32316 -81.55279 6.77037 2.68648 -81.73502 1165.27509
890.0000 -88.19883 -82.96538 5.23345 2.58471 -82.88529 1080.44807
895.0000 -87.36576 -82.48048 4.88528 2.67605 -81.85291 1138.08024
900.0000 -87.45834 -83.32596 4.13238 2.62122 -82.47261 1067.54404
905.0000 -89.00566 -82.56493 6.44072 2.55382 -83.23444 1021.01129
910.0000 -87.62353 -81.50984 6.11369 2.60392 -82.66822 1075.27243
915.0000 -86.73470 -80.31876 6.41594 2.66966 -81.92512 1137.31109
920.0000 -87.68912 -82.78935 4.89976 2.64972 -82.15052 1091.55539
925.0000 -86.87304 -81.19647 5.67657 2.61345 -82.56048 1055.70522
930.0000 -86.66252 -81.56644 5.09608 2.71577 -81.40401 1142.61904
935.0000 -87.18205 -81.57985 5.60220 2.74061 -81.12317 1150.24323
940.0000 -86.20315 -81.30652 4.89663 2.68209 -81.78471 1144.17937
945.0000 -86.36743 -80.17846 6.18896 2.78399 -80.63288 1225.60459
950.0000 -87.80844 -82.15716 5.65128 2.69550 -81.63311 1131.55703
955.0000 -88.86476 -83.48167 5.38309 2.59181 -82.80509 1014.61720
960.0000 -89.13995 -82.91551 6.22444 2.55536 -83.21710 1103.38319
965.0000 -87.83741 -81.76627 6.07114 2.65142 -82.13135 1132.76287
970.0000 -86.94728 -81.42755 5.51972 2.63978 -82.26293 1093.37314
975.0000 -87.57534 -82.96650 4.60883 2.63657 -82.29915 1086.10072
980.0000 -86.72306 -80.80871 5.91434 2.73057 -81.23674 1216.73340
985.0000 -86.99559 -81.52069 5.47490 2.67707 -81.84144 1110.75554
990.0000 -87.11924 -80.98712 6.13212 2.80367 -80.41047 1219.48063
995.0000 -86.57245 -81.68375 4.88871 2.68858 -81.71127 1136.64765
1000.0000 -86.26331 -79.96114 6.30217 2.76308 -80.86929 1205.37459
FREEZING PROCESS: loop number 5 T-loop= 1097.0000000000000
main_MD> interactions number 5 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.77073 -2.65841 0.92075
force_rgl> df(natom) -12.78773 2.41319 -1.80342
1005.0000 -86.79251 -81.75947 5.03305 2.76724 -80.82219 1188.46492
1010.0000 -88.17696 -81.67802 6.49894 2.67572 -81.85670 1151.28436
1015.0000 -86.73865 -81.13505 5.60359 2.74468 -81.07720 1181.34736
1020.0000 -87.86692 -83.00571 4.86122 2.64428 -82.21207 1053.19922
1025.0000 -87.99323 -83.16637 4.82686 2.54540 -83.32960 1018.29401
1030.0000 -86.76007 -81.48587 5.27420 2.68718 -81.72709 1122.01228
1035.0000 -88.54485 -82.93433 5.61051 2.65588 -82.08091 1117.24531
1040.0000 -89.19009 -82.83268 6.35740 2.66579 -81.96889 1171.28379
1045.0000 -86.96564 -80.89982 6.06582 2.60788 -82.62349 1084.01248
1050.0000 -87.54479 -82.39244 5.15234 2.77935 -80.68535 1200.66008
1055.0000 -85.92343 -81.33739 4.58604 2.69102 -81.68374 1156.97668
1060.0000 -85.99927 -80.87332 5.12595 2.76742 -80.82024 1159.07174
1065.0000 -86.23390 -80.65083 5.58307 2.81516 -80.28064 1199.65730
1070.0000 -87.23982 -80.17870 7.06112 2.79840 -80.46998 1233.40573
1075.0000 -87.80021 -81.45292 6.34729 2.75834 -80.92286 1249.17549
1080.0000 -89.65021 -83.41376 6.23645 2.63782 -82.28509 1098.29676
1085.0000 -87.86331 -82.64809 5.21522 2.65783 -82.05884 1142.18085
1090.0000 -88.22199 -83.53502 4.68697 2.59993 -82.71335 1065.45547
1095.0000 -88.02440 -82.65485 5.36955 2.61310 -82.56447 1066.63504
1100.0000 -87.13332 -83.26191 3.87141 2.59609 -82.75666 1074.21023
1105.0000 -88.77097 -83.69012 5.08085 2.48949 -83.96161 972.90752
1110.0000 -86.97209 -82.55957 4.41253 2.53602 -83.43565 1014.75591
1115.0000 -88.70841 -82.87353 5.83488 2.54849 -83.29476 1049.84895
1120.0000 -86.87467 -81.35798 5.51669 2.61842 -82.50427 1082.45274
1125.0000 -88.89125 -83.49461 5.39664 2.58191 -82.91704 1038.15249
1130.0000 -88.78543 -84.23042 4.55502 2.55631 -83.20635 1036.60392
1135.0000 -88.38340 -83.07981 5.30359 2.58435 -82.88943 1020.62392
1140.0000 -87.53319 -82.59117 4.94202 2.58906 -82.83612 1052.17772
1145.0000 -87.69523 -82.60847 5.08676 2.58673 -82.86253 1043.49133
1150.0000 -87.04256 -81.35241 5.69015 2.67850 -81.82527 1092.58833
1155.0000 -86.09353 -80.90240 5.19112 2.77636 -80.71916 1212.13262
1160.0000 -88.10946 -82.43447 5.67499 2.69738 -81.61180 1101.44259
1165.0000 -87.00686 -82.52846 4.47840 2.62531 -82.42649 1123.53673
1170.0000 -87.11035 -82.12548 4.98487 2.64413 -82.21369 1059.98323
1175.0000 -87.64158 -83.24395 4.39763 2.69269 -81.66491 1144.22584
1180.0000 -88.26271 -82.60727 5.65544 2.52549 -83.55464 1003.68719
1185.0000 -86.80816 -80.82723 5.98093 2.64114 -82.24755 1069.48139
1190.0000 -86.79196 -82.45725 4.33472 2.69676 -81.61880 1127.64181
1195.0000 -86.98460 -82.79299 4.19160 2.60689 -82.63459 1028.33693
1200.0000 -87.09894 -81.73646 5.36248 2.60707 -82.63256 1008.31567
1205.0000 -88.22940 -82.50224 5.72716 2.64353 -82.22052 1091.90170
1210.0000 -87.19208 -81.37596 5.81611 2.66490 -81.97901 1145.74193
1215.0000 -86.81854 -81.06587 5.75267 2.69091 -81.68493 1120.79388
1220.0000 -88.35658 -82.55764 5.79894 2.62468 -82.43356 1100.67265
1225.0000 -87.79955 -81.49688 6.30267 2.59241 -82.79835 1094.20555
1230.0000 -86.34664 -80.49437 5.85228 2.76250 -80.87585 1190.92761
1235.0000 -86.85044 -80.40101 6.44942 2.82411 -80.17948 1225.14561
1240.0000 -87.92061 -83.02747 4.89314 2.69182 -81.67469 1084.06624
1245.0000 -88.64212 -82.55872 6.08340 2.55006 -83.27693 1024.67093
1250.0000 -88.30132 -83.00917 5.29215 2.57984 -82.94039 1029.13296
FREEZING PROCESS: loop number 6 T-loop= 1072.0000000000000
main_MD> interactions number 6 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.42381 0.02108 -3.76642
force_rgl> df(natom) -0.26801 1.28186 -2.55848
1255.0000 -88.41725 -82.80782 5.60944 2.56639 -83.09245 1025.08587
1260.0000 -87.62915 -81.31348 6.31567 2.67268 -81.89107 1146.44409
1265.0000 -87.72066 -83.62141 4.09925 2.62541 -82.42532 1110.80040
1270.0000 -87.21742 -82.41099 4.80643 2.62070 -82.47855 1074.16397
1275.0000 -88.83543 -84.72002 4.11542 2.54037 -83.38656 1034.89937
1280.0000 -88.15944 -83.52098 4.63846 2.45569 -84.34363 981.64703
1285.0000 -88.53710 -83.80399 4.73311 2.54333 -83.35304 1025.88842
1290.0000 -86.91527 -82.37131 4.54396 2.61023 -82.59693 1035.52587
1295.0000 -86.67831 -82.13739 4.54092 2.67781 -81.83304 1103.88166
1300.0000 -85.50291 -80.24432 5.25859 2.65488 -82.09222 1078.25141
1305.0000 -87.61237 -81.97657 5.63580 2.70840 -81.48734 1166.82443
1310.0000 -87.55375 -82.36667 5.18708 2.69237 -81.66845 1201.99406
1315.0000 -87.83832 -82.70421 5.13411 2.63856 -82.27673 1098.22350
1320.0000 -87.88042 -81.83815 6.04227 2.66007 -82.03360 1043.52822
1325.0000 -87.96018 -81.51970 6.44048 2.74486 -81.07521 1153.09342
1330.0000 -88.40347 -82.74471 5.65876 2.64399 -82.21528 1091.32623
1335.0000 -88.35873 -81.25046 7.10827 2.62234 -82.46004 1092.86610
1340.0000 -88.27327 -83.14072 5.13255 2.67235 -81.89473 1037.65963
1345.0000 -87.10567 -81.61909 5.48658 2.66291 -82.00147 1057.81372
1350.0000 -87.53195 -81.89002 5.64194 2.76158 -80.88621 1141.35723
1355.0000 -88.50666 -82.84623 5.66044 2.67507 -81.86404 1076.40195
1360.0000 -87.25980 -81.34633 5.91347 2.72773 -81.26885 1184.60530
1365.0000 -87.36187 -81.84093 5.52093 2.67302 -81.88713 1152.41821
1370.0000 -86.70442 -82.53625 4.16818 2.61897 -82.49815 1048.97296
1375.0000 -87.92174 -82.14987 5.77187 2.65835 -82.05299 1121.81146
1380.0000 -85.93825 -81.15050 4.78775 2.65219 -82.12261 1117.62937
1385.0000 -86.84310 -81.80689 5.03621 2.66966 -81.92520 1107.11615
1390.0000 -88.35110 -82.27945 6.07165 2.71772 -81.38199 1114.37905
1395.0000 -87.23966 -81.94192 5.29774 2.68749 -81.72362 1138.60842
1400.0000 -86.22723 -81.75192 4.47532 2.74687 -81.05244 1175.45112
1405.0000 -87.54971 -82.42738 5.12234 2.58050 -82.93291 1011.79309
1410.0000 -87.32087 -82.27407 5.04680 2.71292 -81.43621 1168.83730
1415.0000 -87.75062 -81.40922 6.34140 2.60321 -82.67625 1051.33864
1420.0000 -85.90705 -80.91823 4.98882 2.70748 -81.49764 1164.47654
1425.0000 -88.76340 -82.43384 6.32956 2.72236 -81.32955 1158.27353
1430.0000 -88.69626 -83.27270 5.42356 2.63378 -82.33066 1086.86032
1435.0000 -90.06573 -85.14558 4.92015 2.48261 -84.03932 985.73317
1440.0000 -88.59078 -84.37252 4.21826 2.45510 -84.35036 963.35767
1445.0000 -88.36232 -82.56080 5.80152 2.54697 -83.31187 1010.60026
1450.0000 -88.68649 -83.19110 5.49539 2.59967 -82.71624 1054.87731
1455.0000 -87.78358 -81.93608 5.84751 2.61791 -82.51005 1009.68448
1460.0000 -84.18819 -79.42900 4.75919 2.83272 -80.08206 1261.87240
1465.0000 -86.61313 -81.00691 5.60622 2.77480 -80.73679 1183.64207
1470.0000 -88.44529 -83.45634 4.98895 2.66088 -82.02441 1135.19104
1475.0000 -88.03410 -83.33644 4.69765 2.52786 -83.52790 989.33502
1480.0000 -88.18625 -84.19587 3.99038 2.56338 -83.12637 1022.13813
1485.0000 -88.26663 -82.57360 5.69302 2.54708 -83.31061 1021.57948
1490.0000 -87.89032 -82.76764 5.12268 2.54149 -83.37384 975.64429
1495.0000 -88.15795 -82.94615 5.21181 2.57309 -83.01666 1015.07303
1500.0000 -89.04989 -83.01315 6.03674 2.52884 -83.51683 1028.88198
FREEZING PROCESS: loop number 7 T-loop= 1047.0000000000000
main_MD> interactions number 7 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.26895 -2.58159 -1.96296
force_rgl> df(natom) 4.06439 0.07066 1.82040
1505.0000 -87.75366 -81.69230 6.06136 2.61354 -82.55953 1050.20535
1510.0000 -88.28929 -82.81996 5.46933 2.60565 -82.64870 1044.64902
1515.0000 -88.52494 -83.86684 4.65810 2.57351 -83.01196 1056.95992
1520.0000 -88.54536 -83.35194 5.19342 2.55979 -83.16695 1056.92240
1525.0000 -88.69778 -84.38212 4.31566 2.48590 -84.00218 937.97045
1530.0000 -86.29063 -81.01038 5.28025 2.59394 -82.78101 1024.98143
1535.0000 -87.47754 -81.20844 6.26910 2.73055 -81.23692 1117.76261
1540.0000 -87.57240 -82.56647 5.00593 2.72443 -81.30614 1156.79211
1545.0000 -88.19756 -83.88507 4.31249 2.58487 -82.88357 1043.81606
1550.0000 -88.60846 -83.49097 5.11750 2.49697 -83.87706 961.92519
1555.0000 -89.20955 -83.78032 5.42923 2.49368 -83.91426 990.98635
1560.0000 -87.26619 -82.30076 4.96543 2.58892 -82.83774 1035.42667
1565.0000 -86.61674 -82.30578 4.31095 2.69147 -81.67869 1047.93506
1570.0000 -86.64271 -81.88020 4.76250 2.62691 -82.40836 1068.86969
1575.0000 -88.53871 -83.42202 5.11669 2.59440 -82.77583 1067.30970
1580.0000 -88.70060 -84.51700 4.18360 2.45174 -84.38832 926.44950
1585.0000 -88.32774 -83.44243 4.88532 2.53008 -83.50282 982.54543
1590.0000 -88.08261 -83.70305 4.37956 2.49657 -83.88154 960.32135
1595.0000 -87.17002 -82.43391 4.73611 2.63411 -82.32696 1099.17045
1600.0000 -87.09223 -81.97096 5.12127 2.63900 -82.27168 1085.50215
1605.0000 -86.62304 -81.98109 4.64195 2.67861 -81.82396 1141.92377
1610.0000 -87.95265 -83.17458 4.77807 2.56020 -83.16238 1062.60998
1615.0000 -87.23296 -82.16696 5.06601 2.56528 -83.10495 999.97379
1620.0000 -87.49491 -83.43280 4.06211 2.53808 -83.41243 999.85303
1625.0000 -87.31919 -82.50154 4.81765 2.57044 -83.04667 1008.34001
1630.0000 -88.83594 -82.04882 6.78712 2.68193 -81.78649 1080.17510
1635.0000 -88.77642 -82.69693 6.07949 2.64069 -82.25259 1099.91511
1640.0000 -86.66174 -81.84107 4.82068 2.60125 -82.69839 1084.36071
1645.0000 -86.66062 -81.32101 5.33961 2.69406 -81.64931 1105.02580
1650.0000 -87.26850 -81.92396 5.34454 2.64722 -82.17879 1081.95759
1655.0000 -87.83775 -81.86463 5.97313 2.60320 -82.67640 1026.55235
1660.0000 -88.50447 -82.39586 6.10862 2.65201 -82.12469 1149.53809
1665.0000 -87.07012 -81.42707 5.64304 2.68181 -81.78785 1119.19143
1670.0000 -87.77269 -83.32805 4.44463 2.57377 -83.00894 1038.80268
1675.0000 -87.67381 -82.63093 5.04288 2.53965 -83.39468 1015.82866
1680.0000 -87.11579 -82.03238 5.08341 2.60652 -82.63887 1102.62424
1685.0000 -88.57662 -84.19404 4.38258 2.56824 -83.07153 1065.76753
1690.0000 -87.35869 -83.07338 4.28531 2.50392 -83.79855 975.87069
1695.0000 -87.91194 -83.39355 4.51839 2.53126 -83.48948 1009.00451
1700.0000 -88.66475 -83.99461 4.67015 2.53388 -83.45986 993.91404
1705.0000 -88.20271 -82.36784 5.83487 2.57677 -82.97513 1052.34318
1710.0000 -86.69615 -81.74496 4.95119 2.60384 -82.66913 1080.31719
1715.0000 -87.08059 -82.04422 5.03638 2.59062 -82.81853 1064.19088
1720.0000 -88.21651 -83.01527 5.20124 2.61299 -82.56568 1097.45857
1725.0000 -87.94591 -83.45483 4.49108 2.60176 -82.69259 1056.71565
1730.0000 -88.23138 -82.87181 5.35957 2.57244 -83.02401 1042.44763
1735.0000 -88.20722 -83.01057 5.19665 2.56061 -83.15768 1002.77272
1740.0000 -87.19429 -81.66615 5.52814 2.62723 -82.40471 1122.94825
1745.0000 -88.96394 -83.50289 5.46106 2.58993 -82.82633 1064.21901
1750.0000 -89.43846 -83.43544 6.00302 2.55136 -83.26224 986.95143
FREEZING PROCESS: loop number 8 T-loop= 1022.0000000000000
main_MD> interactions number 8 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58168 -0.41720 -0.28409
force_rgl> df(natom) 2.40356 1.25991 2.09692
1755.0000 -89.79314 -85.76147 4.03168 2.42507 -84.68972 935.43740
1760.0000 -88.63877 -84.06599 4.57279 2.41889 -84.75954 877.80719
1765.0000 -88.89669 -84.69931 4.19738 2.44125 -84.50688 932.84800
1770.0000 -87.80664 -83.10837 4.69827 2.55902 -83.17575 1043.23222
1775.0000 -87.90805 -81.71476 6.19329 2.71751 -81.38435 1189.69391
1780.0000 -87.68046 -81.88819 5.79227 2.72151 -81.33910 1093.77646
1785.0000 -88.19662 -83.61502 4.58160 2.62102 -82.47493 1091.50103
1790.0000 -89.63013 -84.69991 4.93021 2.46259 -84.26560 964.69024
1795.0000 -87.47376 -83.18124 4.29253 2.53620 -83.43360 1001.73510
1800.0000 -87.95286 -82.43864 5.51423 2.64042 -82.25569 1042.98021
1805.0000 -87.37399 -83.00286 4.37114 2.58321 -82.90224 1029.68984
1810.0000 -88.17154 -84.60639 3.56515 2.53281 -83.47198 979.52138
1815.0000 -87.47633 -82.54741 4.92892 2.55539 -83.21679 994.66221
1820.0000 -87.94053 -82.16660 5.77393 2.63517 -82.31494 1050.43077
1825.0000 -87.81784 -81.23618 6.58166 2.71865 -81.37145 1140.66672
1830.0000 -86.20550 -80.45375 5.75176 2.72339 -81.31787 1176.44960
1835.0000 -88.40213 -83.19656 5.20556 2.65538 -82.08655 1087.67687
1840.0000 -89.65373 -84.50262 5.15112 2.52100 -83.60540 967.92032
1845.0000 -88.60156 -82.77154 5.83002 2.45798 -84.31772 959.64018
1850.0000 -88.87591 -84.09265 4.78325 2.51544 -83.66830 1026.44954
1855.0000 -89.30179 -84.39847 4.90332 2.53130 -83.48900 991.74356
1860.0000 -87.75550 -83.10531 4.65020 2.45439 -84.35828 924.65623
1865.0000 -87.95324 -82.84472 5.10852 2.58301 -82.90459 1018.10096
1870.0000 -88.54662 -83.07786 5.46877 2.59809 -82.73410 1017.61602
1875.0000 -87.49334 -81.32052 6.17282 2.68936 -81.70247 1173.53970
1880.0000 -86.84008 -82.29446 4.54561 2.70154 -81.56481 1155.76672
1885.0000 -88.83326 -83.49442 5.33884 2.64708 -82.18036 1130.55595
1890.0000 -88.32926 -83.49617 4.83309 2.51727 -83.64756 968.17172
1895.0000 -87.83706 -82.99052 4.84654 2.55326 -83.24083 1025.83517
1900.0000 -86.95234 -81.77351 5.17883 2.57563 -82.98796 1014.20469
1905.0000 -87.86481 -81.91236 5.95245 2.68954 -81.70045 1136.16655
1910.0000 -88.14824 -82.88108 5.26717 2.66629 -81.96324 1113.77232
1915.0000 -88.22433 -84.09571 4.12862 2.54688 -83.31296 1026.79649
1920.0000 -87.23636 -82.03860 5.19777 2.61284 -82.56740 1081.68707
1925.0000 -88.35715 -82.51615 5.84100 2.61356 -82.55927 1092.01458
1930.0000 -87.96347 -83.42685 4.53662 2.61423 -82.55167 1048.94194
1935.0000 -88.01644 -83.04497 4.97147 2.56219 -83.13987 1047.00389
1940.0000 -89.05541 -84.07914 4.97628 2.53044 -83.49874 1021.64208
1945.0000 -87.75992 -82.38606 5.37386 2.52808 -83.52544 1006.07155
1950.0000 -89.24336 -84.16926 5.07410 2.47808 -84.09055 965.28666
1955.0000 -87.28051 -82.70294 4.57757 2.53634 -83.43204 1032.16870
1960.0000 -89.26620 -82.70911 6.55709 2.61483 -82.54494 1080.64894
1965.0000 -88.26718 -84.17836 4.08882 2.59074 -82.81716 1030.89940
1970.0000 -88.34504 -83.16405 5.18099 2.52418 -83.56950 1010.73729
1975.0000 -87.34647 -82.08208 5.26439 2.56938 -83.05861 1049.21016
1980.0000 -88.94687 -83.69277 5.25410 2.59271 -82.79489 1060.81295
1985.0000 -88.89512 -83.83996 5.05517 2.44872 -84.42240 957.97786
1990.0000 -88.97563 -83.95662 5.01901 2.49415 -83.90896 947.49223
1995.0000 -88.90778 -84.30823 4.59955 2.47783 -84.09340 948.26043
2000.0000 -89.24819 -85.39715 3.85104 2.40759 -84.88726 923.86068
FREEZING PROCESS: loop number 9 T-loop= 997.00000000000000
main_MD> interactions number 9 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06118 0.09524 0.76551
force_rgl> df(natom) 6.35858 -0.05609 -1.94035
2005.0000 -88.32839 -83.75799 4.57040 2.43308 -84.59924 940.73224
2010.0000 -89.48929 -84.19743 5.29186 2.52117 -83.60357 1031.03517
2015.0000 -88.28642 -82.69908 5.58734 2.50469 -83.78979 1002.23449
2020.0000 -87.71144 -84.10416 3.60727 2.59118 -82.81216 1043.11646
2025.0000 -88.71817 -83.76538 4.95279 2.52464 -83.56427 980.06808
2030.0000 -87.43167 -82.26394 5.16773 2.67533 -81.86104 1078.81943
2035.0000 -89.37149 -84.70939 4.66211 2.58306 -82.90403 1065.96586
2040.0000 -88.43974 -82.60597 5.83377 2.51569 -83.66541 966.20367
2045.0000 -86.92316 -82.91629 4.00687 2.58558 -82.87547 958.11716
2050.0000 -88.27606 -83.19649 5.07957 2.51452 -83.67872 954.53273
2055.0000 -87.79664 -81.92924 5.86740 2.58488 -82.88336 1070.00978
2060.0000 -88.90362 -82.58034 6.32328 2.61512 -82.54157 1072.21897
2065.0000 -88.82424 -84.83593 3.98831 2.57880 -82.95214 1025.90696
2070.0000 -89.19926 -84.92553 4.27374 2.41132 -84.84509 930.79769
2075.0000 -87.80706 -82.78247 5.02459 2.56145 -83.14828 1071.87742
2080.0000 -88.73268 -83.90717 4.82551 2.56920 -83.06064 1019.98525
2085.0000 -89.55390 -84.71064 4.84326 2.42871 -84.64864 901.36442
2090.0000 -88.21530 -84.10626 4.10904 2.46560 -84.23165 951.88171
2095.0000 -90.20409 -85.00513 5.19897 2.43789 -84.54481 905.03094
2100.0000 -89.62769 -85.16078 4.46691 2.38819 -85.10655 884.25410
2105.0000 -87.51599 -82.81470 4.70129 2.50358 -83.80234 982.96929
2110.0000 -88.07260 -83.27215 4.80045 2.55401 -83.23236 986.76590
2115.0000 -89.81941 -84.43453 5.38487 2.53477 -83.44983 971.03938
2120.0000 -88.08206 -83.42457 4.65749 2.47227 -84.15619 956.25031
2125.0000 -87.91009 -83.18710 4.72299 2.48985 -83.95754 996.19634
2130.0000 -90.44766 -85.66923 4.77844 2.54680 -83.31378 1018.73889
2135.0000 -88.87992 -84.98203 3.89788 2.38451 -85.14816 873.46981
2140.0000 -89.82876 -84.46840 5.36036 2.44859 -84.42391 943.17449
2145.0000 -88.03868 -83.70114 4.33754 2.43301 -84.60002 970.01684
2150.0000 -87.80968 -83.12543 4.68425 2.54807 -83.29951 1038.91121
2155.0000 -88.38538 -82.92642 5.45896 2.52137 -83.60130 1002.80792
2160.0000 -88.28547 -83.41124 4.87423 2.55212 -83.25366 1005.97972
2165.0000 -88.65039 -83.75837 4.89202 2.54644 -83.31791 1002.79179
2170.0000 -88.79095 -83.75577 5.03517 2.51839 -83.63498 993.06733
2175.0000 -88.76329 -83.69656 5.06673 2.52354 -83.57675 981.28201
2180.0000 -87.92614 -82.43500 5.49115 2.51635 -83.65797 989.07228
2185.0000 -88.10807 -82.98992 5.11815 2.60120 -82.69890 1053.95849
2190.0000 -88.98461 -83.69442 5.29019 2.50816 -83.75063 1006.08071
2195.0000 -88.68380 -84.01459 4.66921 2.51564 -83.66605 949.84359
2200.0000 -89.10053 -84.90851 4.19201 2.39901 -84.98429 869.18429
2205.0000 -87.85177 -82.51392 5.33785 2.59230 -82.79956 1047.43372
2210.0000 -88.72547 -83.28353 5.44194 2.62767 -82.39973 1095.54595
2215.0000 -88.73795 -84.09442 4.64353 2.51587 -83.66342 1012.16211
2220.0000 -88.26219 -83.85101 4.41117 2.51470 -83.67661 962.98681
2225.0000 -87.90478 -82.58420 5.32058 2.52462 -83.56447 1006.54310
2230.0000 -88.68687 -83.61225 5.07461 2.52493 -83.56103 1023.18231
2235.0000 -88.91519 -83.99533 4.91986 2.52919 -83.51289 1047.49459
2240.0000 -89.19085 -83.47219 5.71867 2.52544 -83.55524 1011.26115
2245.0000 -88.67310 -83.71934 4.95376 2.47322 -84.14551 962.84144
2250.0000 -88.49292 -84.44879 4.04413 2.48213 -84.04483 968.65014
FREEZING PROCESS: loop number 10 T-loop= 972.00000000000000
main_MD> interactions number 10 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41294 1.33202 2.14969
force_rgl> df(natom) -0.16222 -1.62871 0.19878
2255.0000 -87.83326 -82.72064 5.11262 2.52894 -83.51567 1039.48302
2260.0000 -88.80276 -83.76113 5.04163 2.60272 -82.68173 1031.66024
2265.0000 -87.58578 -82.32194 5.26384 2.50781 -83.75448 972.61347
2270.0000 -88.42621 -82.89653 5.52968 2.62411 -82.44003 1092.14829
2275.0000 -88.40905 -82.69368 5.71537 2.56934 -83.05909 1049.10109
2280.0000 -89.20083 -83.50194 5.69889 2.59743 -82.74159 1058.62057
2285.0000 -87.88630 -83.79873 4.08757 2.56682 -83.08758 1042.84998
2290.0000 -89.23446 -84.28956 4.94491 2.51084 -83.72024 1006.22117
2295.0000 -89.05516 -83.91208 5.14307 2.53392 -83.45943 975.97310
2300.0000 -90.04685 -84.72539 5.32146 2.47090 -84.17170 973.64360
2305.0000 -88.75739 -84.03220 4.72519 2.45434 -84.35887 944.29567
2310.0000 -88.47929 -84.13816 4.34113 2.56027 -83.16157 1030.86538
2315.0000 -88.34246 -83.61750 4.72497 2.52257 -83.58767 1010.74532
2320.0000 -89.25336 -83.79979 5.45357 2.50630 -83.77164 972.32458
2325.0000 -89.90488 -86.04450 3.86037 2.35584 -85.47221 861.88183
2330.0000 -89.90414 -85.21276 4.69137 2.33684 -85.68695 825.77110
2335.0000 -89.43234 -84.73084 4.70150 2.40125 -84.95900 914.81315
2340.0000 -89.24030 -83.88646 5.35384 2.45148 -84.39126 981.48947
2345.0000 -87.83264 -82.81661 5.01604 2.53313 -83.46833 988.05353
2350.0000 -90.41539 -84.61208 5.80331 2.53001 -83.50365 1029.56214
2355.0000 -89.42673 -84.66272 4.76400 2.51423 -83.68201 985.99526
2360.0000 -89.10805 -84.92821 4.17983 2.46450 -84.24404 941.22298
2365.0000 -89.60837 -85.47617 4.13221 2.38957 -85.09102 898.89869
2370.0000 -89.24238 -84.64862 4.59376 2.40931 -84.86783 890.94393
2375.0000 -89.68718 -85.74329 3.94388 2.43039 -84.62959 928.93686
2380.0000 -89.46242 -85.13973 4.32268 2.38219 -85.17434 869.90132
2385.0000 -88.89264 -83.99589 4.89675 2.39800 -84.99573 899.74926
2390.0000 -88.91720 -83.61574 5.30146 2.46683 -84.21776 914.97846
2395.0000 -88.44625 -83.73586 4.71040 2.48271 -84.03820 983.36070
2400.0000 -89.26246 -85.03021 4.23225 2.42335 -84.70919 895.40124
2405.0000 -87.90973 -83.27031 4.63942 2.42598 -84.67941 905.53837
2410.0000 -88.17244 -84.11879 4.05365 2.51201 -83.70702 957.11824
2415.0000 -89.70219 -85.76273 3.93946 2.37472 -85.25887 905.64409
2420.0000 -88.92574 -83.83632 5.08943 2.40023 -84.97049 910.86390
2425.0000 -89.50160 -85.49209 4.00951 2.38142 -85.18308 877.82811
2430.0000 -89.03401 -84.16209 4.87192 2.40811 -84.88146 869.59385
2435.0000 -87.75950 -83.12477 4.63473 2.52822 -83.52379 1002.40952
2440.0000 -87.22981 -82.45348 4.77632 2.53167 -83.48487 1045.18788
2445.0000 -88.10741 -83.21186 4.89555 2.53054 -83.49766 985.05591
2450.0000 -89.46667 -83.98777 5.47890 2.52362 -83.57588 1026.92127
2455.0000 -88.33136 -82.60611 5.72525 2.61584 -82.53351 1076.70852
2460.0000 -87.48287 -82.29309 5.18978 2.62994 -82.37405 1095.97166
2465.0000 -89.62384 -84.41661 5.20723 2.51165 -83.71108 1012.64061
2470.0000 -88.40699 -83.48267 4.92433 2.49758 -83.87016 943.79302
2475.0000 -87.90485 -82.81581 5.08904 2.59753 -82.74038 993.94825
2480.0000 -86.75372 -81.52526 5.22845 2.68956 -81.70026 1112.65663
2485.0000 -89.21796 -84.23603 4.98193 2.55935 -83.17196 1032.91854
2490.0000 -89.10235 -83.62654 5.47581 2.50520 -83.78398 985.18678
2495.0000 -90.03406 -85.44759 4.58647 2.45925 -84.30344 934.13663
2500.0000 -89.08760 -84.68755 4.40005 2.41899 -84.75850 902.40059
FREEZING PROCESS: loop number 11 T-loop= 947.00000000000000
main_MD> interactions number 11 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.11988 1.15858 -1.29607
force_rgl> df(natom) 0.03307 4.41353 7.71311
2505.0000 -89.06830 -84.62391 4.44439 2.42639 -84.67483 872.25222
2510.0000 -88.67352 -84.76692 3.90659 2.47008 -84.18094 933.88064
2515.0000 -89.48626 -85.37323 4.11303 2.38712 -85.11864 877.23504
2520.0000 -89.57028 -85.35056 4.21972 2.38255 -85.17027 866.48153
2525.0000 -88.52579 -84.50209 4.02370 2.41688 -84.78230 907.40336
2530.0000 -88.86881 -83.67130 5.19751 2.46908 -84.19229 957.02136
2535.0000 -89.02421 -83.54612 5.47808 2.44337 -84.48283 947.58484
2540.0000 -88.78551 -84.09563 4.68988 2.50041 -83.83816 960.27500
2545.0000 -87.44763 -82.03483 5.41279 2.61017 -82.59755 1098.07600
2550.0000 -89.69066 -83.70504 5.98562 2.60088 -82.70260 1015.64506
2555.0000 -89.23877 -85.58383 3.65494 2.47494 -84.12604 944.79122
2560.0000 -90.26169 -85.31613 4.94556 2.33530 -85.70437 797.52418
2565.0000 -89.00581 -83.99813 5.00767 2.38365 -85.15792 893.36830
2570.0000 -89.31150 -84.81773 4.49377 2.46813 -84.20302 925.36723
2575.0000 -88.63304 -84.13515 4.49789 2.40334 -84.93529 900.89620
2580.0000 -88.78985 -83.61660 5.17325 2.45904 -84.30577 951.00171
2585.0000 -89.95202 -86.19148 3.76054 2.41790 -84.77072 906.56138
2590.0000 -89.96749 -85.69485 4.27265 2.35038 -85.53390 848.16488
2595.0000 -89.91741 -85.34036 4.57705 2.37576 -85.24708 884.67388
2600.0000 -89.63514 -85.64971 3.98544 2.35083 -85.52890 880.90940
2605.0000 -88.43689 -84.64347 3.79342 2.36662 -85.35039 797.20542
2610.0000 -88.33560 -83.79551 4.54008 2.45221 -84.38300 923.75214
2615.0000 -89.33045 -83.61834 5.71211 2.52841 -83.52165 1016.02223
2620.0000 -88.32324 -83.33566 4.98758 2.55419 -83.23028 999.37427
2625.0000 -88.70912 -83.11366 5.59546 2.51694 -83.65132 968.36005
2630.0000 -89.01567 -84.23398 4.78168 2.51258 -83.70064 961.87065
2635.0000 -89.06418 -83.45370 5.61048 2.48632 -83.99747 984.35312
2640.0000 -87.82430 -81.89119 5.93311 2.57812 -82.95978 999.95166
2645.0000 -88.55167 -83.53943 5.01224 2.57350 -83.01200 1034.30403
2650.0000 -90.13663 -85.16835 4.96828 2.40434 -84.92407 931.52017
2655.0000 -89.48127 -84.78796 4.69331 2.41473 -84.80663 911.20556
2660.0000 -89.41389 -85.02664 4.38726 2.38904 -85.09695 864.13648
2665.0000 -89.43604 -84.68520 4.75084 2.41887 -84.75983 916.11174
2670.0000 -89.89211 -85.06829 4.82382 2.42979 -84.63633 927.40948
2675.0000 -89.44078 -85.43375 4.00702 2.32477 -85.82337 844.04809
2680.0000 -88.46936 -84.50964 3.95972 2.42380 -84.70410 931.80782
2685.0000 -89.73639 -84.16612 5.57027 2.51517 -83.67130 978.15985
2690.0000 -89.78235 -84.22142 5.56093 2.45577 -84.34277 944.43792
2695.0000 -88.85943 -83.35446 5.50497 2.49631 -83.88453 1034.97734
2700.0000 -89.18227 -84.65901 4.52326 2.51970 -83.62012 1006.57887
2705.0000 -89.38147 -84.33653 5.04493 2.40117 -84.95989 936.24313
2710.0000 -89.87717 -85.91930 3.95786 2.42020 -84.74478 922.11587
2715.0000 -88.60201 -84.50462 4.09739 2.36031 -85.42167 883.13754
2720.0000 -89.66827 -85.17458 4.49369 2.37996 -85.19958 913.80736
2725.0000 -88.62874 -84.55343 4.07531 2.40089 -84.96298 921.35455
2730.0000 -88.25613 -84.23988 4.01626 2.48609 -84.00008 947.18285
2735.0000 -88.81439 -84.48299 4.33140 2.46216 -84.27047 945.04093
2740.0000 -89.12896 -85.06819 4.06077 2.42291 -84.71411 933.53381
2745.0000 -87.97776 -83.43879 4.53897 2.48100 -84.05758 929.40968
2750.0000 -88.50985 -84.36438 4.14547 2.46950 -84.18756 947.25223
FREEZING PROCESS: loop number 12 T-loop= 922.00000000000000
main_MD> interactions number 12 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36125 -0.45693 -3.63925
force_rgl> df(natom) 1.13469 1.61766 -1.76330
2755.0000 -89.60479 -84.39380 5.21099 2.40838 -84.87834 926.97341
2760.0000 -88.48410 -84.56444 3.91965 2.42022 -84.74455 925.68205
2765.0000 -88.98646 -84.52442 4.46204 2.40711 -84.89270 901.86484
2770.0000 -88.04277 -83.46403 4.57874 2.46364 -84.25383 917.56473
2775.0000 -89.21804 -84.16966 5.04837 2.53312 -83.46844 985.57669
2780.0000 -88.93540 -85.16986 3.76553 2.52313 -83.58138 976.50256
2785.0000 -89.22778 -84.82532 4.40246 2.33733 -85.68141 829.91797
2790.0000 -89.63099 -85.19370 4.43729 2.39001 -85.08602 900.56523
2795.0000 -87.33008 -82.39197 4.93811 2.51129 -83.71519 1030.69450
2800.0000 -88.81830 -83.21576 5.60254 2.58510 -82.88093 1060.08985
2805.0000 -87.97088 -83.57757 4.39331 2.55453 -83.22651 1052.10794
2810.0000 -90.30147 -85.11690 5.18458 2.41804 -84.76917 927.48627
2815.0000 -89.30378 -83.82129 5.48250 2.39868 -84.98797 917.52569
2820.0000 -88.65500 -84.70127 3.95373 2.52478 -83.56270 941.48296
2825.0000 -88.96941 -84.37587 4.59355 2.48481 -84.01450 943.14357
2830.0000 -89.15651 -85.97223 3.18427 2.43297 -84.60044 884.51091
2835.0000 -88.93692 -83.80332 5.13360 2.35655 -85.46418 813.61561
2840.0000 -88.84643 -84.63930 4.20713 2.46972 -84.18506 947.37393
2845.0000 -89.17964 -84.40492 4.77472 2.42008 -84.74613 912.74814
2850.0000 -90.30005 -86.76280 3.53725 2.38643 -85.12653 911.17385
2855.0000 -89.96448 -86.04600 3.91848 2.37775 -85.22458 866.94711
2860.0000 -89.29955 -84.49505 4.80450 2.37612 -85.24297 860.18801
2865.0000 -88.65322 -84.13192 4.52130 2.47422 -84.13421 925.87560
2870.0000 -88.82258 -83.50337 5.31921 2.46890 -84.19430 945.66658
2875.0000 -88.65981 -83.84360 4.81621 2.51099 -83.71857 959.58549
2880.0000 -89.48741 -84.75738 4.73003 2.42627 -84.67621 890.16620
2885.0000 -88.71662 -83.71775 4.99886 2.47303 -84.14768 965.21680
2890.0000 -88.86646 -84.17159 4.69487 2.49804 -83.86491 973.68137
2895.0000 -90.14536 -86.19474 3.95062 2.44070 -84.51302 923.14408
2900.0000 -89.40086 -85.23681 4.16405 2.33036 -85.76021 843.62962
2905.0000 -89.34680 -84.82355 4.52325 2.43785 -84.54524 916.75073
2910.0000 -88.47443 -83.86235 4.61209 2.47738 -84.09844 979.06854
2915.0000 -88.77702 -84.77232 4.00470 2.44635 -84.44923 938.59230
2920.0000 -90.80028 -85.51453 5.28576 2.39388 -85.04231 894.03826
2925.0000 -88.63675 -83.80567 4.83108 2.42970 -84.63737 935.85603
2930.0000 -89.49031 -85.29559 4.19472 2.45638 -84.33580 954.25452
2935.0000 -89.04608 -84.48502 4.56106 2.40688 -84.89528 908.58720
2940.0000 -89.20750 -85.28105 3.92646 2.42441 -84.69713 901.89903
2945.0000 -90.25614 -85.08448 5.17166 2.40244 -84.94555 912.60916
2950.0000 -88.45033 -84.67003 3.78030 2.40510 -84.91543 926.82428
2955.0000 -88.67101 -83.77180 4.89921 2.48024 -84.06613 966.22596
2960.0000 -87.97349 -82.53286 5.44063 2.56514 -83.10649 1031.61429
2965.0000 -89.41493 -84.99822 4.41671 2.53031 -83.50016 1052.10700
2970.0000 -88.61154 -83.81335 4.79819 2.45031 -84.40441 950.93542
2975.0000 -89.13910 -84.56880 4.57030 2.47961 -84.07321 964.69014
2980.0000 -89.10922 -83.18763 5.92159 2.52086 -83.60699 1022.43762
2985.0000 -88.87324 -83.69023 5.18301 2.48611 -83.99980 946.81170
2990.0000 -88.25428 -83.67509 4.57919 2.45912 -84.30482 962.01529
2995.0000 -90.58244 -85.92618 4.65626 2.36449 -85.37443 862.82441
3000.0000 -89.54069 -86.29372 3.24697 2.30801 -86.01287 833.94285
FREEZING PROCESS: loop number 13 T-loop= 897.00000000000000
main_MD> interactions number 13 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81541 -1.34223 -1.15836
force_rgl> df(natom) -0.76424 -1.93591 4.09340
3005.0000 -89.07086 -84.16830 4.90257 2.38570 -85.13473 865.65665
3010.0000 -89.67966 -85.03021 4.64945 2.39503 -85.02927 907.04202
3015.0000 -89.16760 -84.46224 4.70536 2.38132 -85.18422 896.10615
3020.0000 -88.29087 -83.37119 4.91969 2.50166 -83.82403 986.23276
3025.0000 -88.84441 -84.00592 4.83849 2.47305 -84.14737 959.73406
3030.0000 -88.07151 -82.79533 5.27617 2.59205 -82.80234 1049.60992
3035.0000 -87.90535 -83.06424 4.84112 2.52475 -83.56301 992.77878
3040.0000 -89.45860 -85.11991 4.33869 2.47902 -84.07988 955.49828
3045.0000 -90.60209 -86.67167 3.93041 2.29031 -86.21289 804.08293
3050.0000 -88.63295 -85.34413 3.28882 2.26530 -86.49555 779.51684
3055.0000 -90.44142 -86.14799 4.29344 2.33259 -85.73503 850.92745
3060.0000 -90.07587 -85.24963 4.82624 2.32518 -85.81875 841.93802
3065.0000 -90.18850 -85.99558 4.19292 2.32874 -85.77849 848.39589
3070.0000 -89.14525 -84.92091 4.22433 2.36081 -85.41603 854.22842
3075.0000 -89.97334 -86.03585 3.93749 2.30791 -86.01400 821.56281
3080.0000 -89.50204 -85.79969 3.70235 2.34454 -85.59997 874.13899
3085.0000 -89.99303 -86.15064 3.84239 2.34880 -85.55179 836.97593
3090.0000 -89.90850 -85.74644 4.16206 2.33828 -85.67074 826.89294
3095.0000 -88.99989 -85.17674 3.82315 2.39688 -85.00837 887.87749
3100.0000 -90.59955 -85.87118 4.72837 2.30397 -86.05856 824.24884
3105.0000 -89.60959 -85.58135 4.02824 2.26737 -86.47224 794.51998
3110.0000 -89.53285 -85.15581 4.37704 2.36320 -85.38905 908.31331
3115.0000 -90.04525 -85.42031 4.62494 2.35149 -85.52137 894.55769
3120.0000 -90.26187 -85.80984 4.45203 2.29647 -86.14328 851.18432
3125.0000 -89.91856 -86.22239 3.69617 2.36011 -85.42395 839.28346
3130.0000 -90.47921 -85.54955 4.92965 2.37491 -85.25673 900.93139
3135.0000 -89.75603 -84.52312 5.23290 2.34400 -85.60604 855.22759
3140.0000 -89.24263 -84.13861 5.10402 2.40882 -84.87340 922.54555
3145.0000 -89.12586 -85.12343 4.00244 2.42803 -84.65627 899.16199
3150.0000 -88.31801 -84.46431 3.85370 2.41782 -84.77172 906.80887
3155.0000 -87.86760 -83.65291 4.21469 2.42932 -84.64167 854.22210
3160.0000 -89.40964 -85.32560 4.08404 2.42450 -84.69613 928.36487
3165.0000 -88.45982 -83.94958 4.51024 2.38010 -85.19804 914.34650
3170.0000 -89.92482 -85.14155 4.78327 2.41423 -84.81231 899.25783
3175.0000 -89.49457 -84.70570 4.78887 2.43966 -84.52481 951.50809
3180.0000 -89.90604 -86.34310 3.56294 2.34209 -85.62760 873.27829
3185.0000 -89.97075 -85.96261 4.00814 2.35323 -85.50177 847.45412
3190.0000 -90.26997 -87.05695 3.21302 2.27012 -86.44115 753.60865
3195.0000 -90.75986 -87.04098 3.71889 2.26604 -86.48721 787.05328
3200.0000 -89.83859 -84.77538 5.06321 2.35765 -85.45182 844.19634
3205.0000 -89.29533 -84.65758 4.63775 2.43121 -84.62032 913.47934
3210.0000 -89.98728 -85.25726 4.73003 2.40287 -84.94063 869.41275
3215.0000 -90.40084 -86.56509 3.83574 2.33728 -85.68204 844.27029
3220.0000 -90.91826 -86.09440 4.82386 2.26940 -86.44924 798.73428
3225.0000 -88.90820 -83.83136 5.07684 2.35319 -85.50217 847.14411
3230.0000 -89.64954 -84.49866 5.15088 2.47513 -84.12387 991.08300
3235.0000 -89.14898 -85.30555 3.84344 2.37149 -85.29533 944.58704
3240.0000 -89.60450 -85.58333 4.02117 2.34226 -85.62575 863.67601
3245.0000 -88.44385 -83.07956 5.36429 2.42151 -84.72995 896.83235
3250.0000 -88.39207 -83.85353 4.53854 2.55251 -83.24925 1011.15232
FREEZING PROCESS: loop number 14 T-loop= 872.00000000000000
main_MD> interactions number 14 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.91364 0.01255 -3.01021
force_rgl> df(natom) 0.99544 2.17693 -2.65588
3255.0000 -90.19662 -84.33959 5.85704 2.46861 -84.19760 939.76277
3260.0000 -89.08558 -84.99151 4.09408 2.40720 -84.89171 927.39024
3265.0000 -91.12032 -87.07717 4.04315 2.32233 -85.85098 836.89466
3270.0000 -89.45160 -85.51152 3.94009 2.24449 -86.73085 745.23094
3275.0000 -89.78592 -84.62931 5.15661 2.36874 -85.32646 874.22751
3280.0000 -88.83465 -84.46588 4.36876 2.42645 -84.67417 893.22343
3285.0000 -90.16338 -85.92734 4.23604 2.37780 -85.22402 889.99244
3290.0000 -89.31117 -85.53814 3.77303 2.33526 -85.70482 845.01722
3295.0000 -88.95052 -84.42919 4.52133 2.46286 -84.26255 963.26548
3300.0000 -90.47016 -85.83692 4.63324 2.42385 -84.70346 920.21987
3305.0000 -89.59334 -84.89321 4.70012 2.34964 -85.54232 866.11938
3310.0000 -89.87180 -85.02807 4.84372 2.38299 -85.16539 896.60019
3315.0000 -89.59364 -84.64267 4.95097 2.40272 -84.94238 902.23980
3320.0000 -89.92102 -85.04473 4.87629 2.43906 -84.53162 933.62719
3325.0000 -89.65227 -84.90681 4.74546 2.48839 -83.97400 945.55191
3330.0000 -89.74023 -86.43782 3.30241 2.28570 -86.26502 801.54730
3335.0000 -89.63650 -85.43669 4.19981 2.34019 -85.64917 870.87715
3340.0000 -90.60803 -86.30720 4.30082 2.32540 -85.81629 857.73234
3345.0000 -89.99200 -85.87951 4.11249 2.32944 -85.77064 817.71688
3350.0000 -90.19510 -85.73043 4.46467 2.34430 -85.60264 865.81027
3355.0000 -90.40958 -85.99529 4.41430 2.28998 -86.21662 837.51493
3360.0000 -89.09709 -85.33268 3.76441 2.32867 -85.77929 861.93035
3365.0000 -89.15914 -84.75344 4.40569 2.36362 -85.38424 836.09842
3370.0000 -89.33177 -84.53183 4.79995 2.45770 -84.32090 965.35384
3375.0000 -89.99717 -85.70736 4.28981 2.43268 -84.60375 925.78612
3380.0000 -89.58189 -85.24223 4.33966 2.37143 -85.29607 861.46407
3385.0000 -89.73957 -85.87206 3.86751 2.36692 -85.34699 879.17580
3390.0000 -89.88882 -85.06893 4.81989 2.34207 -85.62785 852.00040
3395.0000 -91.50361 -85.49590 6.00771 2.37654 -85.23823 879.77303
3400.0000 -90.29044 -86.62649 3.66396 2.28661 -86.25477 823.53803
3405.0000 -89.94627 -86.30641 3.63986 2.28138 -86.31385 760.72614
3410.0000 -89.97845 -84.80314 5.17531 2.38414 -85.15233 871.37301
3415.0000 -89.61108 -84.59531 5.01577 2.40149 -84.95630 892.23564
3420.0000 -88.39925 -83.68736 4.71189 2.52340 -83.57828 966.46595
3425.0000 -88.21305 -83.66365 4.54939 2.47800 -84.09144 929.99299
3430.0000 -89.32718 -84.40691 4.92027 2.45638 -84.33585 943.97033
3435.0000 -88.84258 -84.87669 3.96589 2.41081 -84.85096 943.08171
3440.0000 -89.39390 -85.92117 3.47273 2.37869 -85.21395 847.64966
3445.0000 -88.08798 -84.26081 3.82717 2.43691 -84.55589 899.90374
3450.0000 -89.01521 -84.22979 4.78542 2.44101 -84.50961 882.81003
3455.0000 -89.44688 -85.95374 3.49314 2.42322 -84.71062 903.95844
3460.0000 -90.47852 -86.87889 3.59963 2.33563 -85.70065 869.94219
3465.0000 -90.15382 -86.26385 3.88998 2.32245 -85.84961 816.93866
3470.0000 -90.46082 -86.32856 4.13226 2.29612 -86.14729 795.52194
3475.0000 -90.01625 -85.91477 4.10149 2.21542 -87.05942 726.16495
3480.0000 -90.41429 -86.39571 4.01857 2.30354 -86.06342 825.49561
3485.0000 -88.79464 -85.61837 3.17627 2.40462 -84.92088 899.52640
3490.0000 -89.41396 -84.90650 4.50746 2.34663 -85.57631 864.10517
3495.0000 -88.90675 -84.28482 4.62192 2.46551 -84.23265 939.15498
3500.0000 -89.49374 -84.73237 4.76137 2.45176 -84.38802 926.23566
FREEZING PROCESS: loop number 15 T-loop= 847.00000000000000
main_MD> interactions number 15 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40100 0.26235 -1.76779
force_rgl> df(natom) -0.32718 -0.76977 1.78133
3505.0000 -88.47065 -84.97346 3.49719 2.38658 -85.12483 842.74030
3510.0000 -89.60364 -85.79863 3.80501 2.38543 -85.13774 857.51144
3515.0000 -90.63654 -86.89718 3.73936 2.26676 -86.47912 773.06920
3520.0000 -90.17794 -86.47072 3.70723 2.22268 -86.97731 737.17404
3525.0000 -90.30263 -86.62334 3.67929 2.21627 -87.04974 728.24035
3530.0000 -90.11140 -85.43371 4.67769 2.31677 -85.91386 820.09010
3535.0000 -89.95731 -85.61827 4.33904 2.33783 -85.67574 862.33375
3540.0000 -89.64271 -86.00022 3.64249 2.31623 -85.91990 823.78856
3545.0000 -89.29613 -84.47634 4.81979 2.43574 -84.56917 941.53560
3550.0000 -89.79452 -86.17729 3.61724 2.39207 -85.06269 881.44235
3555.0000 -90.80118 -85.91595 4.88522 2.35612 -85.46904 873.58991
3560.0000 -91.62944 -87.87052 3.75892 2.16950 -87.57842 736.28616
3565.0000 -91.06799 -87.34434 3.72365 2.15603 -87.73067 718.21793
3570.0000 -89.81545 -86.20695 3.60851 2.26202 -86.53261 781.76237
3575.0000 -89.25589 -84.51785 4.73805 2.33027 -85.76124 855.21882
3580.0000 -90.51591 -86.57594 3.93997 2.38859 -85.10208 897.64023
3585.0000 -90.58536 -86.88416 3.70121 2.22026 -87.00465 763.01924
3590.0000 -89.90462 -85.96019 3.94444 2.19622 -87.27639 727.05770
3595.0000 -89.29040 -85.91834 3.37207 2.30257 -86.07428 806.81892
3600.0000 -90.85148 -86.24535 4.60613 2.28335 -86.29154 780.40643
3605.0000 -89.98014 -86.22089 3.75925 2.31615 -85.92080 838.92945
3610.0000 -89.77991 -85.40647 4.37345 2.30023 -86.10074 820.74155
3615.0000 -89.36461 -84.59386 4.77075 2.36465 -85.37269 810.08887
3620.0000 -89.07655 -85.48662 3.58992 2.43092 -84.62361 878.69832
3625.0000 -89.76402 -85.98430 3.77972 2.31835 -85.89601 819.54918
3630.0000 -89.63640 -86.31124 3.32516 2.33195 -85.74228 827.03024
3635.0000 -89.78405 -85.80172 3.98233 2.32778 -85.78943 830.26881
3640.0000 -89.50253 -86.00351 3.49903 2.37153 -85.29491 900.49651
3645.0000 -89.56353 -85.84449 3.71905 2.33668 -85.68883 836.23142
3650.0000 -89.81724 -85.49404 4.32320 2.30478 -86.04932 809.13769
3655.0000 -89.13767 -84.69583 4.44184 2.37649 -85.23882 864.70941
3660.0000 -89.23198 -85.22097 4.01101 2.40005 -84.97258 910.09358
3665.0000 -89.05734 -84.15501 4.90233 2.41893 -84.75911 935.00431
3670.0000 -86.86608 -82.94678 3.91930 2.50139 -83.82714 967.94159
3675.0000 -88.79863 -84.02638 4.77225 2.59595 -82.75835 1040.41725
3680.0000 -89.06452 -84.21310 4.85142 2.45597 -84.34047 905.42373
3685.0000 -89.25764 -85.18211 4.07552 2.42455 -84.69560 894.20025
3690.0000 -90.92174 -85.70261 5.21913 2.37337 -85.27411 870.37879
3695.0000 -90.30938 -85.59451 4.71487 2.32610 -85.80841 843.38636
3700.0000 -89.60535 -85.87832 3.72704 2.31988 -85.87869 815.35821
3705.0000 -90.37013 -86.67235 3.69778 2.27037 -86.43826 760.42426
3710.0000 -89.55418 -85.02651 4.52767 2.31629 -85.91931 794.47535
3715.0000 -89.94582 -85.80556 4.14026 2.42398 -84.70205 913.42589
3720.0000 -90.46984 -85.88324 4.58660 2.28015 -86.32775 750.08624
3725.0000 -88.81475 -84.84827 3.96648 2.34534 -85.59087 864.10802
3730.0000 -88.76842 -84.32554 4.44288 2.49975 -83.84568 988.16244
3735.0000 -89.52993 -85.31196 4.21797 2.39377 -85.04356 920.84875
3740.0000 -90.74701 -87.03076 3.71625 2.30272 -86.07267 823.34529
3745.0000 -90.47044 -86.69522 3.77522 2.23735 -86.81154 751.43717
3750.0000 -89.56462 -85.51241 4.05221 2.28552 -86.26703 791.61855
FREEZING PROCESS: loop number 16 T-loop= 822.00000000000000
main_MD> interactions number 16 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23774 1.48099 0.47824
force_rgl> df(natom) -1.97250 2.51029 -0.62526
3755.0000 -90.17863 -87.15950 3.01913 2.31548 -85.92840 835.55261
3760.0000 -90.25995 -86.36754 3.89242 2.22474 -86.95401 744.16950
3765.0000 -90.88746 -86.65764 4.22982 2.27897 -86.34111 801.66922
3770.0000 -90.83441 -87.53815 3.29626 2.19234 -87.32023 747.53985
3775.0000 -90.72363 -87.04044 3.68319 2.22387 -86.96390 776.62029
3780.0000 -89.28781 -85.18591 4.10190 2.25748 -86.58399 802.26420
3785.0000 -89.00305 -85.12575 3.87730 2.37694 -85.23375 882.09859
3790.0000 -89.92421 -86.56847 3.35574 2.29790 -86.12710 787.46142
3795.0000 -90.29391 -86.83377 3.46014 2.26993 -86.44327 748.99597
3800.0000 -90.74750 -87.32958 3.41791 2.20570 -87.16921 739.57389
3805.0000 -91.49202 -88.31293 3.17909 2.17146 -87.55620 703.26473
3810.0000 -90.90153 -87.13514 3.76639 2.20546 -87.17193 749.90838
3815.0000 -90.44394 -86.36039 4.08355 2.19087 -87.33690 748.88396
3820.0000 -89.77681 -85.97125 3.80556 2.27960 -86.33398 816.78353
3825.0000 -88.88893 -84.85962 4.02931 2.32126 -85.86307 812.32945
3830.0000 -89.87659 -85.38134 4.49525 2.36071 -85.41717 814.32505
3835.0000 -90.68210 -85.58927 5.09283 2.31354 -85.95036 821.59031
3840.0000 -90.30595 -85.97975 4.32620 2.34072 -85.64318 873.92801
3845.0000 -90.49437 -86.59267 3.90170 2.28348 -86.29007 804.42516
3850.0000 -90.44300 -86.95269 3.49031 2.21460 -87.06869 751.08061
3855.0000 -90.54567 -87.39586 3.14981 2.21492 -87.06508 754.23351
3860.0000 -89.81685 -85.82418 3.99266 2.25512 -86.61064 769.78943
3865.0000 -90.91394 -87.19753 3.71641 2.30132 -86.08842 859.14613
3870.0000 -90.32609 -86.26896 4.05713 2.25192 -86.64680 825.39558
3875.0000 -90.52995 -87.15151 3.37844 2.29155 -86.19892 834.02731
3880.0000 -90.26597 -85.18077 5.08521 2.24441 -86.73166 773.05453
3885.0000 -89.88290 -84.72216 5.16074 2.39233 -85.05976 893.46156
3890.0000 -89.07700 -85.75025 3.32676 2.43647 -84.56088 902.88200
3895.0000 -91.02871 -85.80010 5.22861 2.36991 -85.31320 839.07701
3900.0000 -90.12287 -85.96662 4.15625 2.31278 -85.95889 809.53525
3905.0000 -90.16473 -86.70919 3.45554 2.31865 -85.89256 828.91878
3910.0000 -90.84673 -87.39283 3.45390 2.21559 -87.05749 748.83220
3915.0000 -89.60352 -85.02781 4.57571 2.29013 -86.21495 825.95184
3920.0000 -88.13048 -83.40409 4.72639 2.45423 -84.36013 951.07424
3925.0000 -88.88303 -84.59969 4.28334 2.46337 -84.25682 919.41477
3930.0000 -90.17133 -86.14916 4.02218 2.39380 -85.04315 895.36811
3935.0000 -90.17900 -86.76307 3.41593 2.27292 -86.40945 783.15050
3940.0000 -90.17709 -86.08761 4.08948 2.24022 -86.77901 760.03180
3945.0000 -89.69451 -85.46881 4.22570 2.32948 -85.77020 813.19260
3950.0000 -89.31818 -85.28097 4.03721 2.34445 -85.60099 831.10088
3955.0000 -89.79514 -85.72378 4.07136 2.35671 -85.46244 836.55757
3960.0000 -90.35728 -86.75433 3.60295 2.28025 -86.32663 796.54242
3965.0000 -90.91374 -87.18069 3.73306 2.24547 -86.71978 798.30793
3970.0000 -90.27791 -86.13338 4.14453 2.22105 -86.99575 765.17832
3975.0000 -89.73400 -85.78515 3.94884 2.30715 -86.02252 836.89523
3980.0000 -90.49232 -86.59248 3.89984 2.32507 -85.81997 857.74593
3985.0000 -89.71948 -84.91441 4.80507 2.29550 -86.15420 786.77916
3990.0000 -89.54440 -85.21669 4.32770 2.38074 -85.19079 861.63011
3995.0000 -89.35425 -85.20898 4.14527 2.37346 -85.27311 838.21795
4000.0000 -89.48313 -86.19491 3.28822 2.31258 -85.96120 843.53282
FREEZING PROCESS: loop number 17 T-loop= 797.00000000000000
main_MD> interactions number 17 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84971 -1.66330 2.50198
force_rgl> df(natom) -0.30574 -2.35068 6.49928
4005.0000 -90.75866 -86.62635 4.13230 2.30912 -86.00033 795.59440
4010.0000 -91.32068 -86.87648 4.44420 2.31191 -85.96876 837.09105
4015.0000 -90.83501 -85.92545 4.90956 2.27958 -86.33415 827.05115
4020.0000 -90.82993 -87.21302 3.61691 2.30708 -86.02336 856.62821
4025.0000 -90.26265 -86.03197 4.23068 2.27181 -86.42196 826.74272
4030.0000 -89.91364 -86.33012 3.58352 2.29477 -86.16249 788.66466
4035.0000 -90.50945 -85.91687 4.59258 2.26935 -86.44976 803.85035
4040.0000 -91.23377 -88.11348 3.12029 2.20849 -87.13774 772.49169
4045.0000 -91.18550 -87.43808 3.74742 2.14845 -87.81632 670.45348
4050.0000 -90.65848 -87.02431 3.63417 2.21571 -87.05606 722.49511
4055.0000 -90.73707 -87.29381 3.44326 2.21563 -87.05699 781.55378
4060.0000 -90.48915 -87.22113 3.26802 2.18381 -87.41661 731.04575
4065.0000 -90.66871 -85.79525 4.87346 2.26806 -86.46442 788.50517
4070.0000 -89.97807 -86.10309 3.87498 2.32033 -85.87360 852.07927
4075.0000 -89.92336 -85.73288 4.19048 2.31100 -85.97908 776.93847
4080.0000 -90.04049 -85.95018 4.09030 2.27519 -86.38380 783.36519
4085.0000 -91.97758 -87.32421 4.65338 2.22570 -86.94316 767.81506
4090.0000 -89.33807 -85.93170 3.40637 2.24282 -86.74973 810.12299
4095.0000 -89.62481 -85.43163 4.19319 2.31438 -85.94080 811.57355
4100.0000 -90.67612 -85.87458 4.80153 2.33307 -85.72964 879.26404
4105.0000 -92.15432 -87.42235 4.73198 2.27925 -86.33791 795.29437
4110.0000 -90.48401 -86.82138 3.66262 2.20741 -87.14995 734.45399
4115.0000 -89.32882 -85.19921 4.12962 2.29450 -86.16560 807.07185
4120.0000 -89.93713 -86.02399 3.91314 2.31798 -85.90011 856.18327
4125.0000 -90.69604 -87.04124 3.65480 2.29577 -86.15116 770.88372
4130.0000 -90.04455 -86.01078 4.03378 2.26990 -86.44355 737.35995
4135.0000 -89.57153 -85.81096 3.76057 2.36104 -85.41344 854.94079
4140.0000 -90.77672 -86.92519 3.85153 2.28728 -86.24715 807.91599
4145.0000 -89.98462 -85.63507 4.34955 2.27994 -86.33013 826.82571
4150.0000 -89.33441 -85.38038 3.95403 2.39638 -85.01402 885.63953
4155.0000 -90.14966 -86.20924 3.94042 2.35411 -85.49182 850.68407
4160.0000 -90.94630 -86.89214 4.05416 2.23858 -86.79759 792.95305
4165.0000 -90.24212 -86.28262 3.95950 2.20237 -87.20684 765.78440
4170.0000 -90.05018 -86.67678 3.37340 2.23205 -86.87138 762.39332
4175.0000 -90.82667 -87.31858 3.50809 2.16771 -87.59862 709.83313
4180.0000 -90.28969 -87.01737 3.27231 2.23309 -86.85969 760.23932
4185.0000 -89.86585 -85.99819 3.86765 2.24446 -86.73113 740.73459
4190.0000 -90.23333 -86.81693 3.41640 2.25366 -86.62717 770.26677
4195.0000 -91.18892 -87.53899 3.64993 2.20567 -87.16958 747.18483
4200.0000 -91.44872 -87.17217 4.27656 2.15612 -87.72967 733.49585
4205.0000 -90.99394 -87.13599 3.85795 2.25375 -86.62609 775.44870
4210.0000 -90.76135 -87.10502 3.65633 2.20594 -87.16655 733.66115
4215.0000 -90.68157 -86.87388 3.80769 2.19518 -87.28818 737.56809
4220.0000 -90.60337 -87.02344 3.57992 2.25910 -86.56571 822.12795
4225.0000 -90.42344 -86.61022 3.81322 2.23804 -86.80371 800.16170
4230.0000 -90.41520 -86.69263 3.72257 2.25915 -86.56505 783.45238
4235.0000 -89.80555 -86.02357 3.78198 2.27214 -86.41829 794.18882
4240.0000 -90.32190 -86.05228 4.26962 2.32890 -85.77675 817.52472
4245.0000 -89.63627 -85.68030 3.95597 2.29416 -86.16940 842.47156
4250.0000 -90.77267 -86.89999 3.87268 2.34025 -85.64844 850.96046
FREEZING PROCESS: loop number 18 T-loop= 772.00000000000000
main_MD> interactions number 18 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93335 -0.66458 -1.61018
force_rgl> df(natom) -3.09737 -0.51287 0.23629
4255.0000 -90.75034 -87.41029 3.34005 2.24486 -86.72658 785.92255
4260.0000 -91.57813 -87.32887 4.24926 2.25402 -86.62309 794.22346
4265.0000 -92.38053 -88.10875 4.27178 2.17935 -87.46712 748.22341
4270.0000 -91.93724 -88.56873 3.36851 2.07397 -88.65820 638.00424
4275.0000 -91.60450 -87.87947 3.72502 2.12463 -88.08555 684.47336
4280.0000 -90.52791 -87.12051 3.40740 2.11291 -88.21806 658.98167
4285.0000 -90.20620 -86.96754 3.23866 2.22723 -86.92591 782.96164
4290.0000 -90.76821 -86.95744 3.81077 2.26345 -86.51644 770.91509
4295.0000 -90.17819 -86.36242 3.81576 2.23293 -86.86152 723.29821
4300.0000 -89.96892 -86.11623 3.85269 2.32369 -85.83565 884.49097
4305.0000 -90.46295 -86.23938 4.22357 2.30144 -86.08710 823.52108
4310.0000 -91.89446 -87.76312 4.13134 2.20963 -87.12478 775.43388
4315.0000 -90.77889 -86.93308 3.84581 2.18109 -87.44740 732.04552
4320.0000 -90.05431 -85.83068 4.22362 2.31333 -85.95268 828.30702
4325.0000 -89.52798 -86.28466 3.24332 2.27565 -86.37859 781.70105
4330.0000 -89.73873 -86.77486 2.96387 2.24855 -86.68486 696.71678
4335.0000 -90.70760 -87.50138 3.20622 2.18694 -87.38125 761.30176
4340.0000 -91.58818 -88.26160 3.32658 2.17050 -87.56711 713.28957
4345.0000 -89.64528 -86.08730 3.55798 2.23979 -86.78395 752.59935
4350.0000 -89.93948 -85.78557 4.15390 2.32216 -85.85289 809.18088
4355.0000 -91.22524 -86.97136 4.25388 2.29435 -86.16723 832.82072
4360.0000 -90.93976 -86.55691 4.38284 2.24679 -86.70476 771.77736
4365.0000 -90.10135 -86.96721 3.13415 2.22554 -86.94504 758.64729
4370.0000 -90.24905 -86.69253 3.55652 2.24499 -86.72520 756.75722
4375.0000 -89.58642 -86.24169 3.34473 2.24890 -86.68092 762.33379
4380.0000 -90.57952 -86.82847 3.75104 2.28459 -86.27760 770.96917
4385.0000 -90.28443 -86.54317 3.74126 2.20506 -87.17651 731.65590
4390.0000 -90.02604 -86.69668 3.32936 2.24869 -86.68337 754.65742
4395.0000 -90.71913 -87.00699 3.71214 2.23641 -86.82218 750.29457
4400.0000 -90.66492 -86.73839 3.92654 2.22713 -86.92701 748.57996
4405.0000 -90.90920 -87.60158 3.30762 2.21041 -87.11605 726.66227
4410.0000 -91.37721 -87.67057 3.70663 2.16853 -87.58934 712.16369
4415.0000 -90.41644 -86.55546 3.86098 2.19027 -87.34360 718.25692
4420.0000 -90.78200 -86.28043 4.50157 2.27531 -86.38244 785.27676
4425.0000 -89.65898 -85.34198 4.31700 2.30748 -86.01884 816.61353
4430.0000 -90.25407 -86.29511 3.95896 2.33748 -85.67970 785.83911
4435.0000 -90.29701 -86.21734 4.07967 2.34789 -85.56213 846.91450
4440.0000 -90.82463 -87.22197 3.60266 2.24412 -86.73502 792.17824
4445.0000 -91.34384 -88.03543 3.30841 2.13187 -88.00377 680.61560
4450.0000 -91.09836 -88.41934 2.67902 2.09978 -88.36645 610.04549
4455.0000 -90.87520 -87.15267 3.72253 2.19672 -87.27069 738.78933
4460.0000 -90.28285 -85.85069 4.43216 2.22055 -87.00143 783.40844
4465.0000 -89.61405 -86.33869 3.27536 2.31455 -85.93894 873.12294
4470.0000 -90.56637 -86.78917 3.77720 2.24783 -86.69303 738.13823
4475.0000 -90.51752 -87.47257 3.04495 2.20826 -87.14033 764.69345
4480.0000 -90.64095 -86.89060 3.75034 2.16039 -87.68136 696.99867
4485.0000 -89.78051 -86.75701 3.02350 2.22049 -87.00210 756.34324
4490.0000 -90.39291 -86.12622 4.26669 2.24931 -86.67637 801.69884
4495.0000 -90.17317 -86.99471 3.17846 2.23612 -86.82543 766.12398
4500.0000 -90.48327 -86.77016 3.71310 2.27424 -86.39449 826.16189
FREEZING PROCESS: loop number 19 T-loop= 747.00000000000000
main_MD> interactions number 19 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.71377 -2.09690 1.81337
force_rgl> df(natom) -0.58299 -2.29654 1.08567
4505.0000 -90.53770 -87.28982 3.24788 2.19323 -87.31024 717.02111
4510.0000 -89.67907 -86.52028 3.15879 2.28030 -86.32607 724.46019
4515.0000 -90.47596 -87.41329 3.06267 2.26709 -86.47535 794.18292
4520.0000 -90.69234 -86.80925 3.88310 2.23451 -86.84357 783.90943
4525.0000 -90.25119 -86.19167 4.05952 2.25714 -86.58780 768.83308
4530.0000 -91.38080 -87.33476 4.04604 2.24673 -86.70549 783.31312
4535.0000 -90.38887 -86.75426 3.63461 2.27360 -86.40175 795.10067
4540.0000 -89.52672 -85.82754 3.69919 2.26800 -86.46503 781.76495
4545.0000 -90.77164 -87.12145 3.65019 2.26066 -86.54798 753.91384
4550.0000 -90.07986 -86.90625 3.17361 2.19698 -87.26782 734.80931
4555.0000 -90.94022 -86.70504 4.23518 2.23117 -86.88131 755.45989
4560.0000 -90.29700 -86.61978 3.67722 2.22785 -86.91889 753.73204
4565.0000 -91.07985 -87.58916 3.49069 2.22318 -86.97162 755.84097
4570.0000 -90.92577 -87.35613 3.56964 2.18629 -87.38862 718.50961
4575.0000 -90.65188 -86.49097 4.16091 2.21853 -87.02425 766.46838
4580.0000 -90.75069 -87.07722 3.67348 2.22439 -86.95801 722.81345
4585.0000 -89.83367 -87.06045 2.77323 2.20854 -87.13716 703.86369
4590.0000 -90.93601 -87.10813 3.82788 2.23546 -86.83285 764.88142
4595.0000 -90.57396 -86.25990 4.31406 2.24477 -86.72762 799.40759
4600.0000 -90.41289 -86.75972 3.65317 2.26360 -86.51485 810.01218
4605.0000 -90.64923 -87.33826 3.31097 2.18402 -87.41430 714.17377
4610.0000 -90.22982 -86.68982 3.54000 2.20734 -87.15070 684.64689
4615.0000 -89.45701 -85.95548 3.50153 2.26679 -86.47869 765.30864
4620.0000 -89.78861 -85.40842 4.38019 2.28622 -86.25913 796.50767
4625.0000 -90.36336 -86.38858 3.97479 2.31756 -85.90486 819.49331
4630.0000 -90.96274 -87.59215 3.37059 2.19078 -87.33792 701.48852
4635.0000 -90.23189 -86.66271 3.56917 2.22785 -86.91886 717.09236
4640.0000 -89.90085 -86.26664 3.63421 2.26850 -86.45940 782.20500
4645.0000 -90.20181 -86.45382 3.74800 2.25980 -86.55780 763.30049
4650.0000 -90.99536 -87.97466 3.02070 2.19066 -87.33923 726.63395
4655.0000 -90.72160 -86.53537 4.18624 2.17386 -87.52917 707.82807
4660.0000 -90.89130 -86.70010 4.19120 2.25535 -86.60806 793.45437
4665.0000 -90.65222 -85.88664 4.76558 2.29363 -86.17539 817.25072
4670.0000 -90.11440 -86.56522 3.54918 2.24986 -86.67012 732.21050
4675.0000 -90.61559 -86.83690 3.77869 2.26871 -86.45703 781.23358
4680.0000 -91.27420 -87.12655 4.14765 2.21022 -87.11816 724.88193
4685.0000 -91.44990 -87.29757 4.15232 2.21749 -87.03600 739.90926
4690.0000 -91.03576 -87.71987 3.31589 2.16022 -87.68326 711.06895
4695.0000 -90.44478 -86.61891 3.82587 2.16911 -87.58285 719.66815
4700.0000 -90.09513 -86.58033 3.51480 2.31324 -85.95374 806.82913
4705.0000 -91.38986 -88.03921 3.35065 2.21565 -87.05676 762.09880
4710.0000 -90.83136 -87.63554 3.19582 2.18109 -87.44737 712.98186
4715.0000 -90.25898 -87.17911 3.07987 2.19505 -87.28965 703.93298
4720.0000 -90.13386 -86.16586 3.96800 2.25742 -86.58465 785.48499
4725.0000 -90.91646 -86.83556 4.08090 2.22393 -86.96317 743.69573
4730.0000 -91.44436 -88.14074 3.30361 2.11913 -88.14775 682.07877
4735.0000 -91.52458 -88.40185 3.12273 2.09259 -88.44776 626.48995
4740.0000 -90.66141 -85.80777 4.85363 2.19705 -87.26696 730.25809
4745.0000 -90.12848 -86.52089 3.60759 2.29676 -86.14003 832.57745
4750.0000 -89.61970 -85.69314 3.92656 2.27516 -86.38415 795.30949
FREEZING PROCESS: loop number 20 T-loop= 722.00000000000000
main_MD> interactions number 20 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 8.72555 1.18023 4.13821
force_rgl> df(natom) 5.40793 -3.47934 -2.43721
4755.0000 -90.77004 -85.85012 4.91992 2.29126 -86.20216 770.16981
4760.0000 -89.38301 -85.36688 4.01613 2.31128 -85.97589 821.17256
4765.0000 -90.04696 -86.88321 3.16375 2.32299 -85.84357 788.08642
4770.0000 -90.88973 -86.68984 4.19989 2.25309 -86.63356 798.80699
4775.0000 -90.40583 -86.48595 3.91988 2.24438 -86.73199 775.93116
4780.0000 -90.73870 -87.32783 3.41086 2.20447 -87.18309 731.78890
4785.0000 -91.73132 -88.83458 2.89673 2.12470 -88.08477 643.77861
4790.0000 -92.30412 -88.77461 3.52951 2.06998 -88.70326 603.94628
4795.0000 -91.25772 -88.02700 3.23072 2.10629 -88.29282 656.80797
4800.0000 -91.39485 -87.92343 3.47142 2.12047 -88.13258 680.32033
4805.0000 -91.97968 -89.64015 2.33954 2.06987 -88.70449 623.82167
4810.0000 -91.43583 -88.25929 3.17654 2.06777 -88.72829 621.34633
4815.0000 -90.59710 -87.00041 3.59669 2.14382 -87.86870 691.76742
4820.0000 -90.68063 -87.15633 3.52430 2.21331 -87.08319 762.50565
4825.0000 -91.57028 -87.46965 4.10062 2.14782 -87.82348 710.74432
4830.0000 -92.08815 -88.88944 3.19872 2.07400 -88.65786 631.21507
4835.0000 -92.14326 -88.20049 3.94277 2.07134 -88.68787 605.96866
4840.0000 -91.95815 -88.36281 3.59534 2.13680 -87.94799 692.22016
4845.0000 -89.97776 -86.66923 3.30853 2.17197 -87.55053 698.68466
4850.0000 -90.48589 -87.04776 3.43813 2.22366 -86.96626 749.27575
4855.0000 -91.01942 -87.45372 3.56570 2.19683 -87.26951 737.80384
4860.0000 -91.55969 -88.27199 3.28770 2.13516 -87.96657 672.06334
4865.0000 -90.14095 -86.76849 3.37246 2.15431 -87.75010 700.69149
4870.0000 -91.80864 -87.51219 4.29645 2.13508 -87.96743 674.26229
4875.0000 -90.61955 -87.82991 2.78964 2.16843 -87.59050 716.85909
4880.0000 -90.72399 -87.77648 2.94752 2.20475 -87.18000 725.58510
4885.0000 -91.38649 -87.45369 3.93280 2.17231 -87.54662 700.56694
4890.0000 -90.35265 -86.59316 3.75949 2.19320 -87.31051 694.43382
4895.0000 -90.18243 -87.22694 2.95549 2.21066 -87.11323 738.83590
4900.0000 -92.00563 -88.89051 3.11512 2.05459 -88.87725 636.82946
4905.0000 -91.84256 -88.42444 3.41812 2.02937 -89.16225 569.90507
4910.0000 -91.24554 -87.94712 3.29841 2.14387 -87.86814 726.50973
4915.0000 -90.21336 -86.38970 3.82365 2.20376 -87.19112 713.16804
4920.0000 -90.91450 -87.33274 3.58176 2.26175 -86.53572 792.37326
4925.0000 -91.53628 -88.15398 3.38230 2.22006 -87.00694 779.58872
4930.0000 -91.33326 -88.40936 2.92390 2.07722 -88.62145 640.45935
4935.0000 -92.26481 -88.41153 3.85328 2.14316 -87.87611 682.09139
4940.0000 -90.16905 -86.43163 3.73742 2.20937 -87.12773 750.87612
4945.0000 -91.76701 -87.72674 4.04027 2.21005 -87.12008 743.43066
4950.0000 -91.67495 -88.07953 3.59542 2.14089 -87.90178 732.31567
4955.0000 -90.73343 -87.58619 3.14724 2.15039 -87.79439 703.36219
4960.0000 -91.27899 -88.16310 3.11588 2.12232 -88.11166 649.53507
4965.0000 -91.14774 -87.57678 3.57096 2.15778 -87.71082 682.01472
4970.0000 -90.40463 -87.44065 2.96398 2.20638 -87.16152 680.87039
4975.0000 -90.82079 -85.37901 5.44179 2.27930 -86.33730 806.43337
4980.0000 -90.27349 -86.60519 3.66830 2.29889 -86.11588 881.70415
4985.0000 -91.44083 -87.94752 3.49330 2.18858 -87.36274 697.10198
4990.0000 -91.98256 -87.21908 4.76349 2.17083 -87.56336 709.77906
4995.0000 -91.05980 -87.69553 3.36427 2.20174 -87.21397 722.19391
5000.0000 -91.25533 -88.14443 3.11090 2.15017 -87.79687 710.32698
FREEZING PROCESS: loop number 21 T-loop= 697.00000000000000
main_MD> interactions number 21 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89170 1.09338 -1.44766
force_rgl> df(natom) -1.02461 0.39434 -2.45398
5005.0000 -90.82035 -87.86103 2.95933 2.17135 -87.55745 703.62876
5010.0000 -90.74808 -87.39182 3.35626 2.16276 -87.65463 699.32581
5015.0000 -91.15892 -87.59060 3.56832 2.20261 -87.20420 731.53661
5020.0000 -91.20747 -88.00776 3.19971 2.14625 -87.84125 648.94034
5025.0000 -91.54482 -88.00589 3.53893 2.15512 -87.74097 699.95062
5030.0000 -91.81559 -88.26241 3.55318 2.15743 -87.71484 717.97544
5035.0000 -90.38953 -87.08000 3.30953 2.16099 -87.67457 710.08004
5040.0000 -90.04239 -87.06364 2.97875 2.20738 -87.15022 740.36447
5045.0000 -91.59302 -88.91808 2.67493 2.18886 -87.35954 683.87402
5050.0000 -91.15666 -88.02061 3.13604 2.06481 -88.76174 585.88939
5055.0000 -91.64694 -88.69763 2.94931 2.16729 -87.60344 712.96784
5060.0000 -91.37333 -88.15484 3.21849 2.10227 -88.33833 649.40459
5065.0000 -91.19304 -86.93114 4.26190 2.15951 -87.69130 706.40609
5070.0000 -90.48904 -86.74058 3.74846 2.22401 -86.96231 768.70702
5075.0000 -91.10970 -86.18605 4.92365 2.26937 -86.44955 821.82896
5080.0000 -91.03028 -87.51206 3.51822 2.19177 -87.32670 738.09299
5085.0000 -90.53777 -87.06726 3.47052 2.21283 -87.08866 740.17131
5090.0000 -91.20251 -88.21169 2.99081 2.14622 -87.84152 706.34021
5095.0000 -90.22213 -87.06301 3.15912 2.14949 -87.80457 693.35730
5100.0000 -91.44661 -87.47517 3.97143 2.21491 -87.06515 766.18951
5105.0000 -91.00168 -87.34489 3.65679 2.16987 -87.57426 684.03222
5110.0000 -91.61964 -87.95095 3.66869 2.20365 -87.19245 733.73436
5115.0000 -91.53456 -88.00467 3.52989 2.13626 -87.95417 696.52844
5120.0000 -91.14929 -87.62858 3.52070 2.09997 -88.36429 668.48739
5125.0000 -90.35225 -87.07713 3.27512 2.20787 -87.14473 740.57192
5130.0000 -91.17727 -88.33496 2.84230 2.17573 -87.50798 689.17071
5135.0000 -91.13401 -87.60997 3.52404 2.11645 -88.17805 680.38806
5140.0000 -91.11306 -88.16472 2.94834 2.10564 -88.30023 669.53608
5145.0000 -91.68372 -88.14841 3.53530 2.08011 -88.58878 620.43731
5150.0000 -91.24690 -88.42652 2.82038 2.15329 -87.76166 688.88487
5155.0000 -91.42522 -88.38096 3.04426 2.13011 -88.02362 666.68102
5160.0000 -89.68781 -87.09433 2.59348 2.14304 -87.87743 655.57038
5165.0000 -91.18334 -87.85687 3.32647 2.17517 -87.51431 702.25584
5170.0000 -91.94872 -89.25300 2.69572 2.10243 -88.33648 628.61758
5175.0000 -90.85193 -87.96396 2.88797 2.08868 -88.49195 623.29526
5180.0000 -90.63387 -86.62206 4.01181 2.18385 -87.41624 687.59126
5185.0000 -90.20728 -85.82111 4.38617 2.23956 -86.78648 762.23118
5190.0000 -91.69387 -88.29284 3.40103 2.21427 -87.07242 747.20060
5195.0000 -90.78733 -87.00131 3.78602 2.13710 -87.94457 629.37595
5200.0000 -91.05677 -87.04332 4.01345 2.19361 -87.30591 730.54945
5205.0000 -90.47847 -86.94446 3.53401 2.22818 -86.91512 769.38354
5210.0000 -90.70570 -86.98855 3.71715 2.20016 -87.23183 710.86474
5215.0000 -90.89956 -87.26006 3.63950 2.21760 -87.03479 736.51223
5220.0000 -91.73400 -88.12005 3.61395 2.14977 -87.80145 695.87179
5225.0000 -90.43639 -86.99972 3.43666 2.18244 -87.43220 742.44725
5230.0000 -90.87505 -86.98054 3.89451 2.23514 -86.83650 763.01861
5235.0000 -90.69113 -87.46842 3.22272 2.20652 -87.15994 701.08121
5240.0000 -90.88639 -87.46501 3.42137 2.16588 -87.61931 711.10226
5245.0000 -90.14436 -87.61745 2.52691 2.20485 -87.17880 742.77823
5250.0000 -91.84678 -88.16196 3.68483 2.16536 -87.62517 701.87585
FREEZING PROCESS: loop number 22 T-loop= 672.00000000000000
main_MD> interactions number 22 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.92761 0.72316 -0.99822
force_rgl> df(natom) 0.33500 1.29020 -1.01843
5255.0000 -90.79814 -87.84542 2.95272 2.13800 -87.93439 686.97795
5260.0000 -91.77659 -87.86368 3.91291 2.14975 -87.80167 692.42067
5265.0000 -92.28129 -88.43836 3.84293 2.11581 -88.18528 685.97966
5270.0000 -92.10946 -89.00593 3.10353 2.07607 -88.63439 633.07001
5275.0000 -91.46289 -88.32570 3.13719 2.09679 -88.40021 646.81132
5280.0000 -90.67039 -87.32225 3.34814 2.16411 -87.63932 703.98946
5285.0000 -89.96242 -87.02650 2.93592 2.20011 -87.23240 700.86144
5290.0000 -90.41074 -87.72729 2.68345 2.21314 -87.08518 761.12822
5295.0000 -91.17586 -88.44191 2.73394 2.10131 -88.34919 648.47373
5300.0000 -91.63078 -87.91476 3.71601 2.10687 -88.28630 687.71745
5305.0000 -91.31744 -87.80763 3.50981 2.13315 -87.98922 669.51767
5310.0000 -91.24011 -88.23235 3.00776 2.11745 -88.16676 654.52297
5315.0000 -90.84418 -87.29350 3.55067 2.16098 -87.67465 690.41345
5320.0000 -92.29673 -88.89748 3.39926 2.13990 -87.91292 698.51580
5325.0000 -92.47714 -89.70420 2.77294 1.99198 -89.58486 554.62101
5330.0000 -92.28246 -88.56669 3.71577 1.99921 -89.50323 572.95991
5335.0000 -91.82334 -88.86042 2.96292 2.10183 -88.34326 663.16158
5340.0000 -91.27577 -88.46666 2.80911 2.05154 -88.91170 611.50073
5345.0000 -91.59744 -88.69220 2.90523 2.11354 -88.21095 684.11403
5350.0000 -91.89844 -88.90080 2.99763 2.06249 -88.78791 609.61930
5355.0000 -90.72345 -87.54550 3.17794 2.13748 -87.94032 672.58206
5360.0000 -90.26475 -86.33653 3.92822 2.24043 -86.77668 790.95060
5365.0000 -91.78198 -88.35545 3.42652 2.18059 -87.45305 712.27302
5370.0000 -91.47585 -88.19849 3.27736 2.10138 -88.34834 622.00462
5375.0000 -91.40487 -88.27990 3.12496 2.11397 -88.20601 626.36097
5380.0000 -91.79163 -88.97223 2.81940 2.04562 -88.97857 609.71718
5385.0000 -91.53539 -88.84780 2.68759 2.08303 -88.55580 662.26375
5390.0000 -92.16396 -89.42509 2.73887 2.05063 -88.92202 606.03854
5395.0000 -92.52067 -89.37457 3.14610 2.03400 -89.10991 591.88376
5400.0000 -92.27961 -89.30346 2.97616 2.02064 -89.26092 596.07003
5405.0000 -90.97034 -87.52608 3.44426 2.14539 -87.85097 689.60403
5410.0000 -90.71135 -86.91295 3.79840 2.19545 -87.28515 712.52620
5415.0000 -92.56921 -88.66926 3.89996 2.09699 -88.39802 642.96528
5420.0000 -91.81238 -88.50931 3.30307 2.07687 -88.62540 636.49729
5425.0000 -92.20876 -89.01791 3.19085 2.08860 -88.49286 606.68373
5430.0000 -91.39069 -87.29958 4.09111 2.12857 -88.04107 678.45278
5435.0000 -91.20341 -87.55675 3.64666 2.16088 -87.67587 695.42878
5440.0000 -90.87525 -88.23144 2.64380 2.15026 -87.79589 702.28261
5445.0000 -91.28696 -88.29320 2.99376 2.09656 -88.40285 648.89159
5450.0000 -91.25704 -88.16674 3.09030 2.12236 -88.11126 637.54822
5455.0000 -91.41771 -88.29744 3.12027 2.13020 -88.02263 687.58362
5460.0000 -91.52665 -88.23446 3.29220 2.09694 -88.39859 679.35503
5465.0000 -90.72926 -87.99700 2.73227 2.12185 -88.11694 689.44568
5470.0000 -92.62204 -89.52028 3.10175 2.03878 -89.05588 629.82300
5475.0000 -92.11026 -89.12256 2.98771 2.01942 -89.27473 600.49241
5480.0000 -91.48486 -88.81751 2.66735 2.01228 -89.35549 563.92342
5485.0000 -91.91933 -89.01547 2.90386 2.07659 -88.62857 614.32815
5490.0000 -91.00312 -87.40375 3.59936 2.10556 -88.30115 648.25806
5495.0000 -91.55284 -88.67984 2.87300 2.16321 -87.64950 704.85925
5500.0000 -91.32909 -88.33640 2.99269 2.13665 -87.94975 652.44847
FREEZING PROCESS: loop number 23 T-loop= 647.00000000000000
main_MD> interactions number 23 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46670 1.06825 -0.28145
force_rgl> df(natom) 3.46745 0.08885 2.46142
5505.0000 -91.40614 -88.52290 2.88324 2.05858 -88.83217 633.14036
5510.0000 -91.64800 -87.97470 3.67330 2.10611 -88.29491 644.07153
5515.0000 -91.35947 -88.16660 3.19286 2.07593 -88.63605 605.27864
5520.0000 -92.14553 -88.84899 3.29654 2.09526 -88.41755 625.00795
5525.0000 -91.56650 -88.41504 3.15145 2.05183 -88.90845 605.83590
5530.0000 -91.36496 -88.41199 2.95297 2.10499 -88.30752 662.27915
5535.0000 -90.92771 -87.97389 2.95382 2.12628 -88.06690 677.77641
5540.0000 -91.44215 -88.28130 3.16085 2.12701 -88.05865 656.84935
5545.0000 -90.86520 -87.39528 3.46992 2.12689 -88.05998 680.95729
5550.0000 -91.43424 -88.40172 3.03252 2.11676 -88.17450 641.72031
5555.0000 -91.18311 -88.29656 2.88654 2.14074 -87.90351 659.47759
5560.0000 -91.47318 -88.48447 2.98871 2.07528 -88.64331 652.47416
5565.0000 -91.67967 -88.09302 3.58664 2.13309 -87.98992 680.21233
5570.0000 -91.04740 -87.80192 3.24548 2.12666 -88.06261 657.63381
5575.0000 -91.86383 -88.86046 3.00337 2.07345 -88.66410 634.51768
5580.0000 -91.50934 -87.68300 3.82634 2.07544 -88.64152 604.13746
5585.0000 -91.91294 -88.54401 3.36893 2.16623 -87.61541 699.06577
5590.0000 -92.02002 -88.84065 3.17937 2.08447 -88.53949 646.41347
5595.0000 -91.20333 -88.22118 2.98215 2.09794 -88.38729 651.08519
5600.0000 -92.41790 -89.35728 3.06062 2.06038 -88.81182 622.51813
5605.0000 -92.21051 -88.97188 3.23863 2.02343 -89.22947 633.85172
5610.0000 -91.67983 -89.41732 2.26251 2.01245 -89.35349 589.55177
5615.0000 -91.67246 -88.54927 3.12319 2.06439 -88.76649 619.04094
5620.0000 -90.35989 -86.88005 3.47984 2.17897 -87.47132 735.67060
5625.0000 -90.93786 -88.05528 2.88258 2.22195 -86.98553 736.14199
5630.0000 -91.65326 -88.42934 3.22392 2.13888 -87.92451 667.50126
5635.0000 -92.00903 -88.67979 3.32924 2.10466 -88.31130 676.66031
5640.0000 -91.61709 -88.72678 2.89030 2.09369 -88.43527 640.81416
5645.0000 -92.40316 -89.96696 2.43620 2.03016 -89.15332 615.72611
5650.0000 -92.70175 -89.02568 3.67607 1.98613 -89.65102 581.48012
5655.0000 -91.69521 -88.56984 3.12536 2.04357 -89.00180 606.52787
5660.0000 -91.11787 -88.16804 2.94983 2.09628 -88.40597 611.61073
5665.0000 -91.46753 -87.89106 3.57647 2.13600 -87.95703 658.65974
5670.0000 -91.21068 -87.79698 3.41371 2.13036 -88.02079 658.89688
5675.0000 -92.01752 -88.65401 3.36351 2.13458 -87.97316 638.10306
5680.0000 -91.33385 -88.12047 3.21339 2.08937 -88.48411 634.96852
5685.0000 -91.95801 -87.74616 4.21186 2.13848 -87.92897 703.53613
5690.0000 -91.31163 -88.11793 3.19370 2.11712 -88.17039 697.12488
5695.0000 -92.10910 -88.96718 3.14193 2.09732 -88.39427 657.31338
5700.0000 -91.59098 -88.56070 3.03028 2.05916 -88.82557 597.33165
5705.0000 -91.51940 -88.56342 2.95598 2.08316 -88.55427 610.64194
5710.0000 -91.25010 -87.96664 3.28346 2.12197 -88.11563 657.08791
5715.0000 -90.96812 -87.67603 3.29209 2.17723 -87.49103 724.09202
5720.0000 -90.73475 -87.92338 2.81137 2.13072 -88.01670 666.63210
5725.0000 -92.01139 -88.41555 3.59583 2.10555 -88.30122 656.14036
5730.0000 -91.67339 -89.06239 2.61100 2.07790 -88.61374 606.28929
5735.0000 -91.10411 -88.16582 2.93828 2.05820 -88.83639 612.42196
5740.0000 -90.81154 -87.72941 3.08213 2.11846 -88.15529 641.23939
5745.0000 -90.86900 -87.54941 3.31960 2.15702 -87.71952 673.54750
5750.0000 -91.05862 -87.86664 3.19197 2.17296 -87.53930 697.99682
FREEZING PROCESS: loop number 24 T-loop= 622.00000000000000
main_MD> interactions number 24 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37914 -1.24639 -1.53463
force_rgl> df(natom) -1.11513 1.43491 -1.25636
5755.0000 -91.47859 -87.81563 3.66296 2.14699 -87.83281 696.77241
5760.0000 -91.10530 -88.18208 2.92322 2.12340 -88.09948 656.98339
5765.0000 -91.29492 -88.50694 2.78798 2.14089 -87.90180 672.27026
5770.0000 -92.20629 -89.74492 2.46137 2.03045 -89.15011 558.81417
5775.0000 -91.85467 -89.58915 2.26553 1.96751 -89.86149 489.05507
5780.0000 -91.17789 -88.91767 2.26021 2.03938 -89.04912 565.90836
5785.0000 -91.85066 -88.13841 3.71226 2.08224 -88.56465 621.57586
5790.0000 -92.37110 -89.36037 3.01073 2.04526 -88.98271 581.25517
5795.0000 -91.26744 -88.29518 2.97226 2.04512 -88.98431 584.13887
5800.0000 -92.11101 -88.69555 3.41547 2.08315 -88.55437 626.09692
5805.0000 -91.62664 -89.00725 2.61939 2.08715 -88.50921 630.80919
5810.0000 -91.68001 -88.39344 3.28657 2.03573 -89.09041 562.43890
5815.0000 -91.46943 -88.38897 3.08047 2.08464 -88.53759 643.61133
5820.0000 -92.38212 -88.45380 3.92833 2.09954 -88.36913 657.82017
5825.0000 -91.67300 -88.87473 2.79828 2.07825 -88.60981 608.04306
5830.0000 -92.00392 -89.13700 2.86692 2.03558 -89.09210 561.04113
5835.0000 -91.53039 -88.83085 2.69955 2.00909 -89.39145 571.58601
5840.0000 -92.63358 -89.43185 3.20173 2.05287 -88.89671 608.26414
5845.0000 -91.99803 -88.88626 3.11177 2.02943 -89.16159 585.99442
5850.0000 -91.90657 -88.78540 3.12117 2.04892 -88.94133 612.57503
5855.0000 -92.79112 -88.77062 4.02050 2.07629 -88.63198 654.77282
5860.0000 -91.82229 -88.77775 3.04454 2.06543 -88.75467 623.74044
5865.0000 -91.66498 -88.85626 2.80872 2.03627 -89.08431 603.77250
5870.0000 -91.86035 -89.59139 2.26896 2.02306 -89.23365 560.85326
5875.0000 -92.20227 -88.84078 3.36149 2.05293 -88.89593 599.68027
5880.0000 -92.35111 -88.62470 3.72640 2.07979 -88.59242 636.72387
5885.0000 -91.86935 -89.29735 2.57199 2.05238 -88.90215 602.70008
5890.0000 -91.51789 -88.69464 2.82325 2.00202 -89.47144 573.77260
5895.0000 -92.41618 -89.09292 3.32327 2.05412 -88.88256 630.23352
5900.0000 -91.76230 -88.72782 3.03448 2.06270 -88.78558 653.68670
5905.0000 -92.53893 -89.37250 3.16644 2.07080 -88.69395 636.33610
5910.0000 -91.98362 -88.94979 3.03383 2.07780 -88.61493 621.72371
5915.0000 -92.16921 -89.45227 2.71694 2.02107 -89.25610 585.47111
5920.0000 -91.78436 -88.91525 2.86911 2.00060 -89.48741 562.08882
5925.0000 -92.22672 -88.79729 3.42942 2.08526 -88.53050 664.59954
5930.0000 -91.71153 -89.05435 2.65718 2.07377 -88.66039 632.52480
5935.0000 -92.10762 -88.98624 3.12138 2.02702 -89.18883 595.40242
5940.0000 -90.49863 -87.45710 3.04153 2.08647 -88.51693 594.86744
5945.0000 -91.57010 -88.50365 3.06645 2.14665 -87.83666 692.22402
5950.0000 -90.45243 -86.75650 3.69593 2.18564 -87.39603 718.93325
5955.0000 -90.43533 -87.48895 2.94638 2.19959 -87.23835 699.06167
5960.0000 -90.80346 -87.78187 3.02159 2.18487 -87.40462 698.96384
5965.0000 -91.32836 -87.85701 3.47135 2.14339 -87.87349 644.63178
5970.0000 -92.03908 -89.21486 2.82422 2.06769 -88.72912 626.80239
5975.0000 -92.50976 -88.96665 3.54311 2.02647 -89.19506 607.32246
5980.0000 -92.82969 -90.00199 2.82770 1.97692 -89.75512 566.65555
5985.0000 -92.95601 -89.68583 3.27018 1.94297 -90.13886 522.25664
5990.0000 -92.02466 -89.01129 3.01337 2.00942 -89.38772 549.55771
5995.0000 -92.19706 -89.00448 3.19258 2.05883 -88.82929 611.18162
6000.0000 -91.99415 -89.54923 2.44493 2.05929 -88.82409 601.13253
FREEZING PROCESS: loop number 25 T-loop= 597.00000000000000
main_MD> interactions number 25 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25665 -0.78864 -1.32960
force_rgl> df(natom) -4.57597 1.80599 4.85836
6005.0000 -91.72406 -89.22187 2.50219 1.99691 -89.52922 552.04689
6010.0000 -91.71560 -88.79333 2.92227 2.03329 -89.11798 558.85545
6015.0000 -92.17704 -88.95435 3.22269 2.04759 -88.95633 589.08395
6020.0000 -91.76645 -89.30582 2.46063 1.99918 -89.50351 551.87434
6025.0000 -93.01804 -89.67117 3.34687 1.97214 -89.80911 557.77544
6030.0000 -92.36468 -89.11295 3.25173 1.99041 -89.60269 584.32337
6035.0000 -92.41436 -89.69796 2.71640 2.01584 -89.31523 638.38264
6040.0000 -92.24772 -89.38254 2.86518 2.00960 -89.38574 612.42645
6045.0000 -92.58230 -90.04668 2.53562 1.96150 -89.92945 535.44590
6050.0000 -92.83659 -89.52153 3.31506 1.97063 -89.82624 525.58613
6055.0000 -92.23147 -89.60353 2.62794 1.99852 -89.51101 556.41260
6060.0000 -92.36040 -88.60947 3.75094 1.99013 -89.60575 529.40059
6065.0000 -91.77689 -88.36740 3.40949 2.10412 -88.31734 620.03429
6070.0000 -92.05895 -88.49492 3.56403 2.08237 -88.56328 654.79756
6075.0000 -92.65469 -90.35875 2.29594 2.01222 -89.35617 582.43261
6080.0000 -92.26159 -89.74251 2.51908 1.96038 -89.94208 521.43174
6085.0000 -92.63076 -89.64790 2.98286 1.99449 -89.55653 579.74155
6090.0000 -92.02009 -89.75801 2.26208 1.95649 -89.98608 536.77618
6095.0000 -92.04003 -89.57556 2.46446 1.99430 -89.55869 552.31517
6100.0000 -91.12579 -88.31621 2.80958 2.03191 -89.13359 596.68262
6105.0000 -92.22322 -89.38538 2.83783 2.03741 -89.07145 628.61764
6110.0000 -91.26536 -88.62184 2.64351 2.04903 -88.94001 617.74952
6115.0000 -92.04539 -88.93708 3.10831 2.06680 -88.73925 648.78490
6120.0000 -91.65320 -88.63854 3.01466 2.04854 -88.94560 586.76565
6125.0000 -91.37713 -87.94937 3.42776 2.07802 -88.61239 637.46302
6130.0000 -92.32180 -89.08249 3.23931 2.09233 -88.45062 634.95925
6135.0000 -92.29676 -89.43669 2.86008 1.99923 -89.50298 565.77378
6140.0000 -92.62402 -89.73080 2.89322 1.99396 -89.56257 554.64960
6145.0000 -91.93921 -89.92957 2.00964 1.96497 -89.89019 566.33457
6150.0000 -92.39859 -89.56717 2.83142 1.97730 -89.75087 511.76899
6155.0000 -92.55348 -89.39390 3.15957 1.98658 -89.64593 542.04525
6160.0000 -92.10070 -89.25862 2.84209 2.02717 -89.18716 591.63209
6165.0000 -91.89465 -89.17245 2.72220 2.04275 -89.01102 587.07878
6170.0000 -92.18564 -88.88474 3.30090 2.01541 -89.32005 586.10146
6175.0000 -92.44096 -89.56149 2.87947 1.99355 -89.56719 558.65695
6180.0000 -91.92391 -89.02428 2.89962 2.00335 -89.45642 582.65197
6185.0000 -91.42356 -89.07608 2.34748 2.04321 -89.00589 587.76447
6190.0000 -91.97686 -89.44551 2.53134 2.01108 -89.36901 601.39243
6195.0000 -91.88169 -88.92544 2.95625 2.00670 -89.41848 596.77024
6200.0000 -92.15363 -89.11148 3.04215 2.01741 -89.29742 580.90946
6205.0000 -91.74750 -88.69917 3.04833 2.04634 -88.97051 622.35944
6210.0000 -91.89196 -89.03591 2.85605 2.09003 -88.47668 636.35564
6215.0000 -91.58591 -88.83598 2.74993 2.04988 -88.93047 595.45533
6220.0000 -92.51965 -89.71951 2.80014 2.01476 -89.32742 572.46450
6225.0000 -92.29903 -89.50839 2.79064 2.02517 -89.20979 597.22121
6230.0000 -92.12921 -89.37797 2.75124 2.01821 -89.28837 584.78402
6235.0000 -91.67903 -89.14664 2.53239 1.99928 -89.50241 565.16837
6240.0000 -92.42282 -89.40546 3.01736 2.01773 -89.29387 578.32778
6245.0000 -91.55431 -89.01031 2.54400 2.04090 -89.03201 585.13881
6250.0000 -91.93684 -89.57713 2.35971 2.03216 -89.13075 599.81912
FREEZING PROCESS: loop number 26 T-loop= 572.00000000000000
main_MD> interactions number 26 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55091 -1.02872 -1.92727
force_rgl> df(natom) -1.60942 1.77982 -1.45262
6255.0000 -92.58350 -89.70836 2.87514 1.97416 -89.78632 543.63686
6260.0000 -92.21116 -88.86133 3.34983 2.01238 -89.35436 591.55466
6265.0000 -92.18328 -89.02165 3.16163 2.04054 -89.03607 579.96887
6270.0000 -92.34629 -89.50751 2.83878 2.01666 -89.30591 586.46941
6275.0000 -92.98388 -90.17944 2.80444 1.97518 -89.77477 563.73874
6280.0000 -93.09434 -89.73321 3.36114 1.97399 -89.78819 558.66722
6285.0000 -92.15029 -89.18415 2.96614 1.97906 -89.73091 570.75122
6290.0000 -92.55918 -89.69550 2.86368 2.01600 -89.31342 598.16158
6295.0000 -92.34076 -89.84895 2.49180 2.00498 -89.43791 580.31119
6300.0000 -92.17115 -89.55977 2.61138 2.00450 -89.44339 558.06013
6305.0000 -92.38538 -89.97312 2.41226 1.98872 -89.62175 534.17204
6310.0000 -92.41233 -89.76904 2.64329 1.94021 -90.17001 479.26035
6315.0000 -91.47554 -88.80294 2.67260 2.04068 -89.03446 577.62677
6320.0000 -91.66031 -88.60916 3.05115 2.06979 -88.70543 615.67317
6325.0000 -92.20223 -89.02320 3.17903 2.06221 -88.79114 639.32299
6330.0000 -92.39841 -89.95625 2.44216 1.98680 -89.64349 532.54083
6335.0000 -92.68595 -89.86408 2.82187 2.00730 -89.41172 562.51687
6340.0000 -91.20738 -88.10383 3.10355 2.05491 -88.87364 629.62828
6345.0000 -92.62569 -89.57931 3.04638 2.05749 -88.84439 627.96639
6350.0000 -92.10975 -89.70081 2.40893 1.96265 -89.91641 535.44660
6355.0000 -92.76285 -89.72761 3.03525 1.96437 -89.89696 521.52268
6360.0000 -92.69932 -89.72171 2.97761 2.01454 -89.32987 587.11165
6365.0000 -92.32103 -88.92117 3.39986 2.00584 -89.42827 601.32422
6370.0000 -92.25760 -88.79421 3.46339 2.04691 -88.96399 619.76683
6375.0000 -92.52506 -89.97109 2.55397 2.01173 -89.36170 591.66138
6380.0000 -92.64177 -89.81902 2.82276 1.96561 -89.88295 545.15139
6385.0000 -92.96385 -90.61601 2.34785 1.93862 -90.18799 533.27278
6390.0000 -92.69464 -89.94259 2.75205 1.94734 -90.08946 548.78768
6395.0000 -92.26730 -89.24510 3.02220 1.98519 -89.66166 584.50759
6400.0000 -91.94445 -89.59212 2.35234 2.04584 -88.97610 623.96303
6405.0000 -92.78256 -89.99172 2.79084 1.96744 -89.86223 521.81846
6410.0000 -91.85329 -89.53920 2.31409 1.95651 -89.98578 531.35754
6415.0000 -92.57834 -89.90966 2.66868 1.99349 -89.56780 573.74025
6420.0000 -93.25349 -90.57537 2.67812 1.91675 -90.43526 507.67700
6425.0000 -92.98108 -90.46187 2.51921 1.88631 -90.77931 467.06227
6430.0000 -92.87309 -90.34685 2.52624 1.91490 -90.45612 499.65094
6435.0000 -92.95309 -89.68781 3.26528 1.97656 -89.75914 562.06590
6440.0000 -93.09818 -90.57048 2.52770 1.96779 -89.85836 565.04005
6445.0000 -93.17744 -90.53833 2.63911 1.91013 -90.51004 515.23293
6450.0000 -91.84656 -89.42234 2.42422 1.97512 -89.77544 549.03849
6455.0000 -91.82703 -88.98527 2.84176 2.00803 -89.40352 565.74575
6460.0000 -92.20810 -89.69209 2.51600 2.03524 -89.09597 593.05371
6465.0000 -92.63629 -90.13629 2.50001 1.96061 -89.93948 530.25801
6470.0000 -92.89756 -90.52305 2.37451 1.95101 -90.04793 516.38658
6475.0000 -93.02161 -90.27729 2.74431 1.93501 -90.22881 510.73715
6480.0000 -92.52851 -89.91356 2.61495 1.94695 -90.09389 539.15011
6485.0000 -92.16696 -90.02722 2.13973 1.98128 -89.70584 571.19967
6490.0000 -93.19570 -90.71922 2.47648 1.94774 -90.08493 522.88581
6495.0000 -92.29139 -89.40259 2.88880 1.98297 -89.68669 561.22411
6500.0000 -92.80198 -90.26717 2.53481 1.99710 -89.52702 535.22503
FREEZING PROCESS: loop number 27 T-loop= 547.00000000000000
main_MD> interactions number 27 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21464 1.46188 1.52497
force_rgl> df(natom) 1.28161 -0.70401 -0.34855
6505.0000 -92.86364 -89.88816 2.97548 1.95563 -89.99575 506.67060
6510.0000 -92.87026 -90.53453 2.33574 1.96854 -89.84986 560.85053
6515.0000 -92.52252 -89.91237 2.61016 1.91124 -90.49751 479.06574
6520.0000 -92.18508 -89.13030 3.05477 1.97516 -89.77502 520.92540
6525.0000 -92.75800 -89.95697 2.80103 2.02720 -89.18681 585.44866
6530.0000 -92.50153 -90.07768 2.42385 1.96412 -89.89981 520.61030
6535.0000 -93.10913 -90.36110 2.74803 1.91631 -90.44021 473.45232
6540.0000 -92.36095 -89.42821 2.93273 1.94684 -90.09513 520.97167
6545.0000 -91.60254 -89.05635 2.54619 2.01232 -89.35502 585.46430
6550.0000 -92.78016 -89.92751 2.85265 1.99036 -89.60318 562.64289
6555.0000 -92.24007 -90.10052 2.13955 1.95118 -90.04606 513.27527
6560.0000 -92.04762 -89.38660 2.66102 2.02799 -89.17789 578.69512
6565.0000 -92.31610 -89.51654 2.79956 1.97530 -89.77343 509.78588
6570.0000 -92.47328 -88.97095 3.50233 2.00717 -89.41323 551.14169
6575.0000 -91.87537 -89.09930 2.77607 2.03059 -89.14846 566.26089
6580.0000 -92.43945 -89.61710 2.82235 1.98313 -89.68492 511.89500
6585.0000 -92.82786 -89.41534 3.41252 1.99198 -89.58494 533.18704
6590.0000 -92.80832 -89.75471 3.05361 2.02227 -89.24247 590.95801
6595.0000 -92.64697 -89.87520 2.77177 1.98802 -89.62970 556.47425
6600.0000 -91.78887 -89.34676 2.44211 1.96894 -89.84531 520.86491
6605.0000 -92.61818 -89.94577 2.67241 1.95455 -90.00792 496.17389
6610.0000 -92.32382 -89.29781 3.02601 1.94797 -90.08239 485.12041
6615.0000 -92.63304 -89.94116 2.69187 1.99029 -89.60395 574.90691
6620.0000 -92.58570 -90.36818 2.21752 1.95790 -89.97007 539.08532
6625.0000 -92.67779 -90.40366 2.27413 1.88934 -90.74506 468.02436
6630.0000 -92.93403 -90.69182 2.24221 1.91921 -90.40736 504.79969
6635.0000 -92.97957 -90.80897 2.17060 1.88832 -90.75655 477.92893
6640.0000 -93.13792 -90.33885 2.79907 1.89229 -90.71169 482.78364
6645.0000 -94.06922 -91.59483 2.47439 1.86616 -91.00703 460.05593
6650.0000 -93.15519 -90.96069 2.19450 1.83760 -91.32982 426.89618
6655.0000 -92.25252 -89.70052 2.55201 1.89577 -90.67238 474.88699
6660.0000 -92.34358 -90.19804 2.14554 1.97034 -89.82947 525.94460
6665.0000 -92.61020 -90.19796 2.41224 1.95801 -89.96890 511.49469
6670.0000 -92.81162 -89.55634 3.25528 1.97187 -89.81222 528.96303
6675.0000 -92.29476 -89.97377 2.32100 1.98091 -89.71005 544.36767
6680.0000 -93.05280 -90.38705 2.66575 1.90442 -90.57462 475.71356
6685.0000 -92.16557 -89.47514 2.69043 1.96821 -89.85361 535.64358
6690.0000 -92.40030 -89.73276 2.66754 1.98039 -89.71590 533.52715
6695.0000 -92.59860 -89.76389 2.83471 2.02605 -89.19984 560.04160
6700.0000 -92.64657 -89.73266 2.91391 1.98197 -89.69803 539.11785
6705.0000 -91.98686 -90.03243 1.95444 1.96921 -89.84226 523.79062
6710.0000 -92.62330 -89.58963 3.03368 1.97239 -89.80637 522.13884
6715.0000 -92.52223 -89.58424 2.93799 1.95538 -89.99860 498.34278
6720.0000 -92.04938 -89.30945 2.73993 2.02220 -89.24334 573.83880
6725.0000 -91.94433 -89.76925 2.17508 1.97581 -89.76763 544.14674
6730.0000 -92.69469 -89.99180 2.70289 1.98248 -89.69232 549.26499
6735.0000 -93.21457 -90.40372 2.81085 1.92527 -90.33889 506.42474
6740.0000 -92.64426 -89.94937 2.69488 1.91172 -90.49200 479.41506
6745.0000 -91.75799 -89.50539 2.25260 1.99236 -89.58065 541.69180
6750.0000 -92.45367 -89.96889 2.48478 2.00134 -89.47908 536.77940
FREEZING PROCESS: loop number 28 T-loop= 522.00000000000000
main_MD> interactions number 28 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.87024 3.71621 0.38365
force_rgl> df(natom) 3.62684 1.11285 2.03569
6755.0000 -93.04196 -90.92417 2.11779 1.91701 -90.43231 476.90189
6760.0000 -92.92755 -90.64572 2.28183 1.89350 -90.69803 486.46157
6765.0000 -92.98328 -90.29142 2.69185 1.90491 -90.56906 515.32973
6770.0000 -93.12585 -90.92478 2.20107 1.88386 -90.80691 490.77352
6775.0000 -93.30562 -91.22271 2.08291 1.86307 -91.04200 450.53468
6780.0000 -92.68683 -90.50236 2.18447 1.86572 -91.01197 456.30473
6785.0000 -92.92020 -89.93184 2.98836 1.91474 -90.45789 510.70467
6790.0000 -92.69768 -89.77581 2.92187 1.96453 -89.89517 548.95880
6795.0000 -92.33041 -89.60213 2.72829 1.98426 -89.67210 542.10968
6800.0000 -92.52135 -90.03865 2.48270 1.96891 -89.84561 565.52790
6805.0000 -93.14729 -91.40058 1.74671 1.87983 -90.85251 495.88057
6810.0000 -93.97135 -90.91677 3.05458 1.84499 -91.24628 464.90411
6815.0000 -93.33390 -91.02700 2.30690 1.86966 -90.96751 464.22663
6820.0000 -93.50390 -91.08911 2.41479 1.87314 -90.92815 486.94109
6825.0000 -93.06491 -90.43523 2.62968 1.89291 -90.70470 496.19743
6830.0000 -92.83248 -90.48836 2.34413 1.89511 -90.67986 484.98874
6835.0000 -93.07699 -90.44032 2.63667 1.92392 -90.35421 496.77578
6840.0000 -92.26448 -90.02236 2.24212 1.94864 -90.07476 519.87915
6845.0000 -92.85212 -89.76305 3.08907 1.98383 -89.67697 558.41492
6850.0000 -92.24735 -89.42363 2.82371 1.99302 -89.57317 541.24252
6855.0000 -92.62689 -89.56086 3.06602 2.00566 -89.43026 581.05146
6860.0000 -93.57006 -90.81252 2.75754 1.95720 -89.97802 522.30032
6865.0000 -92.01502 -89.20687 2.80816 1.98864 -89.62267 565.37692
6870.0000 -92.80402 -89.93481 2.86921 1.97556 -89.77045 518.69342
6875.0000 -92.62098 -89.49209 3.12889 2.03771 -89.06796 580.25752
6880.0000 -92.09816 -89.60619 2.49196 2.00257 -89.46525 591.84126
6885.0000 -92.16742 -89.67366 2.49375 2.00217 -89.46969 549.80565
6890.0000 -92.84087 -90.74334 2.09753 1.95641 -89.98689 535.77868
6895.0000 -92.66216 -90.11836 2.54380 1.93433 -90.23651 504.23447
6900.0000 -92.35482 -89.64468 2.71014 1.98537 -89.65961 549.16716
6905.0000 -91.62192 -89.33446 2.28746 1.98511 -89.66259 532.80949
6910.0000 -92.54076 -89.82451 2.71625 2.01440 -89.33150 579.24439
6915.0000 -91.66746 -88.90133 2.76614 2.01267 -89.35101 577.22523
6920.0000 -92.04625 -89.64516 2.40109 2.03596 -89.08778 571.27110
6925.0000 -92.44144 -89.59968 2.84176 1.98604 -89.65204 566.72859
6930.0000 -92.30343 -90.08333 2.22010 1.97423 -89.78549 553.91310
6935.0000 -92.06557 -89.45766 2.60792 1.99890 -89.50668 574.52123
6940.0000 -92.14111 -89.57458 2.56653 2.00414 -89.44740 560.85194
6945.0000 -92.55033 -89.89958 2.65074 1.96055 -89.94016 525.68186
6950.0000 -93.20317 -90.42169 2.78148 1.94448 -90.12176 505.48918
6955.0000 -92.74442 -90.49816 2.24626 1.89132 -90.72264 463.61027
6960.0000 -92.84844 -90.38570 2.46274 1.92666 -90.32316 487.51174
6965.0000 -92.78559 -89.95818 2.82741 1.90926 -90.51984 479.72850
6970.0000 -93.34594 -90.85666 2.48928 1.88780 -90.76244 461.57476
6975.0000 -93.02414 -90.58454 2.43960 1.90794 -90.53477 507.18350
6980.0000 -92.79978 -90.31289 2.48689 1.91147 -90.49483 500.85768
6985.0000 -93.37618 -90.59796 2.77822 1.92891 -90.29778 519.43703
6990.0000 -91.95978 -90.08773 1.87205 1.87138 -90.94800 458.39784
6995.0000 -92.47732 -89.27721 3.20011 1.99746 -89.52291 562.77172
7000.0000 -92.47376 -89.77429 2.69947 2.01465 -89.32860 586.10007
FREEZING PROCESS: loop number 29 T-loop= 497.00000000000000
main_MD> interactions number 29 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46722 0.96849 -0.28339
force_rgl> df(natom) 4.06889 1.99702 -1.36919
7005.0000 -92.64441 -89.63825 3.00616 1.99319 -89.57126 578.71604
7010.0000 -92.78582 -90.19175 2.59407 1.97627 -89.76244 565.15016
7015.0000 -92.81007 -90.59868 2.21140 1.90599 -90.55686 487.72143
7020.0000 -93.33632 -91.21350 2.12283 1.87217 -90.93907 467.13058
7025.0000 -93.21766 -90.39983 2.81783 1.86780 -90.98850 462.77698
7030.0000 -92.89370 -90.14804 2.74566 1.92067 -90.39091 520.12462
7035.0000 -92.54701 -89.66931 2.87770 1.93835 -90.19111 546.61400
7040.0000 -92.91220 -90.46425 2.44795 1.97907 -89.73086 552.14944
7045.0000 -92.39317 -89.56810 2.82507 1.93614 -90.21605 505.38610
7050.0000 -92.81230 -90.13970 2.67260 1.96112 -89.93364 524.18900
7055.0000 -92.79683 -90.49554 2.30129 1.90920 -90.52058 475.41305
7060.0000 -93.15341 -90.28264 2.87077 1.92778 -90.31056 515.48293
7065.0000 -92.35425 -90.22118 2.13307 1.91875 -90.41263 509.76828
7070.0000 -93.10814 -90.37185 2.73629 1.93578 -90.22016 523.51264
7075.0000 -92.93168 -90.85117 2.08051 1.91176 -90.49161 497.79667
7080.0000 -93.21815 -91.72622 1.49193 1.85471 -91.13645 438.93192
7085.0000 -93.68406 -91.54715 2.13691 1.82912 -91.42565 421.61973
7090.0000 -93.04010 -90.33682 2.70328 1.87795 -90.87381 455.66223
7095.0000 -93.09014 -90.89089 2.19925 1.90565 -90.56068 474.46108
7100.0000 -92.28994 -89.91482 2.37512 1.87771 -90.87644 442.74285
7105.0000 -92.40458 -88.69801 3.70657 2.05691 -88.85104 621.80367
7110.0000 -92.64793 -89.63613 3.01180 2.03007 -89.15440 582.55473
7115.0000 -92.71066 -90.69305 2.01760 1.94337 -90.13438 503.61660
7120.0000 -92.29533 -89.20084 3.09449 1.96806 -89.85531 537.93974
7125.0000 -92.56665 -90.22242 2.34423 1.97996 -89.72070 532.62346
7130.0000 -92.57842 -90.03759 2.54083 1.95718 -89.97827 520.38030
7135.0000 -92.72816 -89.96747 2.76069 1.94755 -90.08711 489.64460
7140.0000 -93.61265 -91.10273 2.50993 1.91254 -90.48276 471.31250
7145.0000 -92.71343 -90.80313 1.91029 1.85937 -91.08376 405.04655
7150.0000 -93.10921 -90.63817 2.47104 1.91047 -90.50613 469.89480
7155.0000 -92.43399 -90.27472 2.15927 1.90004 -90.62413 455.70195
7160.0000 -93.03305 -90.17810 2.85495 1.94257 -90.14336 498.14997
7165.0000 -92.92537 -90.29857 2.62680 1.93012 -90.28404 494.27821
7170.0000 -92.69394 -90.14631 2.54763 1.93942 -90.17898 499.11295
7175.0000 -93.28525 -90.88001 2.40524 1.91680 -90.43469 476.55477
7180.0000 -92.78286 -90.91918 1.86368 1.87451 -90.91260 444.76246
7185.0000 -93.21686 -90.90287 2.31399 1.86851 -90.98048 439.45957
7190.0000 -92.95197 -90.14791 2.80406 1.88967 -90.74126 469.47933
7195.0000 -93.39328 -90.66238 2.73091 1.90192 -90.60281 493.74348
7200.0000 -93.07054 -90.22615 2.84439 1.91551 -90.44925 481.17263
7205.0000 -93.17058 -90.89996 2.27063 1.89782 -90.64913 485.62171
7210.0000 -93.29715 -91.25142 2.04573 1.84328 -91.26563 454.80118
7215.0000 -92.71592 -90.11974 2.59618 1.89728 -90.65525 487.83465
7220.0000 -93.07096 -90.80027 2.27068 1.92926 -90.29376 503.07389
7225.0000 -92.78844 -90.78298 2.00546 1.88149 -90.83371 472.16889
7230.0000 -92.83954 -90.40218 2.43736 1.90988 -90.51287 504.47623
7235.0000 -93.10440 -90.55931 2.54510 1.93044 -90.28047 508.75830
7240.0000 -92.90346 -90.89200 2.01146 1.85822 -91.09678 432.95479
7245.0000 -92.76721 -90.58476 2.18245 1.88253 -90.82195 443.76389
7250.0000 -92.99509 -90.82798 2.16711 1.89592 -90.67060 475.33268
FREEZING PROCESS: loop number 30 T-loop= 472.00000000000000
main_MD> interactions number 30 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53409 1.34036 -4.10274
force_rgl> df(natom) 1.22329 -2.52394 0.10380
7255.0000 -92.74607 -90.13751 2.60856 1.90704 -90.54496 473.51775
7260.0000 -93.05893 -90.71348 2.34545 1.91510 -90.45391 489.86909
7265.0000 -92.80961 -90.56878 2.24084 1.88447 -90.80002 439.94824
7270.0000 -92.63060 -90.07593 2.55467 1.93479 -90.23133 503.37709
7275.0000 -92.66270 -89.97122 2.69148 1.96699 -89.86737 533.25682
7280.0000 -93.23569 -91.13361 2.10208 1.92460 -90.34645 506.54158
7285.0000 -92.55417 -90.78950 1.76467 1.85262 -91.16002 424.10795
7290.0000 -92.86877 -89.94110 2.92766 1.90930 -90.51943 480.84914
7295.0000 -92.09834 -89.60453 2.49380 1.99490 -89.55190 546.96337
7300.0000 -92.44815 -89.81241 2.63574 1.99100 -89.59597 533.94260
7305.0000 -91.92371 -89.25160 2.67211 1.99594 -89.54016 548.65059
7310.0000 -92.50199 -90.12391 2.37808 1.97809 -89.74194 520.68396
7315.0000 -92.83669 -90.80319 2.03350 1.92106 -90.38644 467.25385
7320.0000 -92.47345 -90.53092 1.94254 1.90380 -90.58155 463.46206
7325.0000 -93.17720 -91.11161 2.06559 1.88331 -90.81319 459.11010
7330.0000 -93.18821 -91.11666 2.07155 1.86195 -91.05465 449.39886
7335.0000 -93.21875 -91.14508 2.07367 1.86325 -91.03989 452.19919
7340.0000 -93.30210 -90.85843 2.44367 1.88209 -90.82694 481.53086
7345.0000 -92.63764 -90.36392 2.27372 1.91614 -90.44208 506.98009
7350.0000 -91.62786 -89.47698 2.15088 1.94754 -90.08717 529.67582
7355.0000 -92.91919 -90.58523 2.33395 1.95838 -89.96467 518.56984
7360.0000 -93.34534 -90.97028 2.37506 1.88977 -90.74011 466.28276
7365.0000 -92.98881 -90.85321 2.13560 1.90431 -90.57584 472.02192
7370.0000 -93.17053 -90.24059 2.92994 1.89092 -90.72712 446.16675
7375.0000 -92.93204 -90.24744 2.68461 1.95384 -90.01597 524.77799
7380.0000 -93.21610 -91.07822 2.13788 1.89951 -90.63003 484.78094
7385.0000 -93.16144 -91.08323 2.07821 1.85139 -91.17392 443.18548
7390.0000 -93.11320 -90.88847 2.22473 1.85443 -91.13958 424.72788
7395.0000 -93.29732 -91.00121 2.29610 1.88280 -90.81892 476.26096
7400.0000 -93.08002 -90.39877 2.68125 1.88886 -90.75042 480.99045
7405.0000 -93.53369 -91.17488 2.35881 1.90619 -90.55457 495.61821
7410.0000 -93.12162 -90.73035 2.39127 1.87931 -90.85833 463.94843
7415.0000 -93.48554 -91.02865 2.45689 1.87450 -90.91270 461.96168
7420.0000 -92.33603 -90.15331 2.18272 1.90231 -90.59841 447.10797
7425.0000 -93.26860 -90.90403 2.36457 1.90814 -90.53254 481.20106
7430.0000 -93.19778 -90.96840 2.22938 1.86883 -90.97680 448.49975
7435.0000 -93.18402 -91.05671 2.12731 1.86467 -91.02381 453.38345
7440.0000 -93.08261 -90.85826 2.22435 1.92177 -90.37845 506.74288
7445.0000 -92.87610 -90.53729 2.33881 1.88217 -90.82606 481.02962
7450.0000 -93.66248 -91.35472 2.30776 1.89241 -90.71035 499.94362
7455.0000 -93.59167 -91.50351 2.08816 1.83460 -91.36372 432.58753
7460.0000 -93.45163 -90.69121 2.76042 1.85606 -91.12119 461.61224
7465.0000 -93.81741 -91.00863 2.80878 1.88880 -90.75109 505.15957
7470.0000 -93.11573 -89.91188 3.20385 1.92372 -90.35637 534.99980
7475.0000 -92.25758 -89.45391 2.80368 1.99605 -89.53890 569.15853
7480.0000 -93.55704 -90.67965 2.87739 1.94619 -90.10244 508.06369
7485.0000 -92.61806 -90.56692 2.05114 1.90090 -90.61436 478.79349
7490.0000 -92.96164 -90.81739 2.14425 1.89210 -90.71382 484.55797
7495.0000 -92.64326 -90.44023 2.20304 1.92754 -90.31324 514.25389
7500.0000 -92.33737 -90.09578 2.24159 1.94437 -90.12301 505.67271
FREEZING PROCESS: loop number 31 T-loop= 447.00000000000000
main_MD> interactions number 31 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53546 0.05445 0.07122
force_rgl> df(natom) -0.23800 0.43513 -0.34754
7505.0000 -93.66964 -91.21066 2.45899 1.89138 -90.72201 482.52387
7510.0000 -92.68936 -90.39638 2.29298 1.88096 -90.83977 465.15084
7515.0000 -93.35685 -91.17611 2.18074 1.89365 -90.69636 466.33985
7520.0000 -93.48454 -91.57801 1.90653 1.81035 -91.63781 378.19788
7525.0000 -93.49441 -91.29559 2.19882 1.81813 -91.54986 392.45662
7530.0000 -93.50900 -90.68121 2.82779 1.88593 -90.78355 460.89651
7535.0000 -93.31225 -91.19106 2.12118 1.86989 -90.96487 458.99429
7540.0000 -92.48263 -90.29781 2.18483 1.88786 -90.76180 458.59942
7545.0000 -92.94461 -90.86196 2.08265 1.90272 -90.59375 457.12885
7550.0000 -93.73105 -91.87389 1.85716 1.85254 -91.16098 418.11927
7555.0000 -93.69450 -92.05955 1.63495 1.78655 -91.90684 375.21112
7560.0000 -93.41157 -91.79381 1.61776 1.79582 -91.80208 376.55528
7565.0000 -93.24218 -91.24985 1.99233 1.81954 -91.53402 397.96792
7570.0000 -93.50431 -91.16251 2.34180 1.85591 -91.12283 437.77281
7575.0000 -92.91849 -90.40650 2.51199 1.87658 -90.88929 460.20801
7580.0000 -93.83390 -91.62676 2.20714 1.84731 -91.22013 435.81637
7585.0000 -92.81331 -90.70597 2.10734 1.87306 -90.92901 453.92262
7590.0000 -93.11237 -90.54284 2.56954 1.90300 -90.59057 503.91901
7595.0000 -92.74185 -91.13282 1.60903 1.87962 -90.85483 462.02250
7600.0000 -93.43210 -91.54796 1.88415 1.83995 -91.30329 406.46555
7605.0000 -93.58811 -91.25063 2.33748 1.85478 -91.13562 453.69009
7610.0000 -93.39969 -90.93825 2.46144 1.83272 -91.38495 441.84736
7615.0000 -93.23038 -91.09989 2.13050 1.84277 -91.27142 443.89948
7620.0000 -93.12088 -90.80073 2.32015 1.86278 -91.04518 465.20167
7625.0000 -93.17788 -91.49374 1.68414 1.85741 -91.10588 446.20685
7630.0000 -93.92263 -91.63938 2.28325 1.80596 -91.68750 399.41661
7635.0000 -94.15067 -91.87108 2.27960 1.82534 -91.46846 429.53916
7640.0000 -93.81412 -91.51682 2.29729 1.80378 -91.71215 412.98753
7645.0000 -93.38209 -91.53077 1.85132 1.85355 -91.14957 455.67307
7650.0000 -93.38951 -90.96834 2.42118 1.85672 -91.11375 460.19100
7655.0000 -92.71621 -91.03843 1.67779 1.87890 -90.86303 477.03673
7660.0000 -93.35028 -91.33004 2.02024 1.82667 -91.45343 403.77807
7665.0000 -93.19988 -90.64407 2.55580 1.87979 -90.85296 473.04569
7670.0000 -93.92489 -91.95082 1.97407 1.82970 -91.41907 430.27178
7675.0000 -93.39064 -91.06797 2.32267 1.83540 -91.35469 446.59206
7680.0000 -92.79082 -90.38358 2.40724 1.89905 -90.63525 497.76214
7685.0000 -93.39284 -91.28508 2.10776 1.85577 -91.12441 428.30708
7690.0000 -92.95731 -90.56608 2.39123 1.87843 -90.86832 465.30356
7695.0000 -93.59643 -91.36443 2.23201 1.84605 -91.23427 430.10172
7700.0000 -93.78634 -91.39474 2.39160 1.84141 -91.28676 424.56453
7705.0000 -93.47534 -90.63823 2.83710 1.88012 -90.84926 478.61658
7710.0000 -92.59448 -90.34056 2.25392 1.93190 -90.26392 534.84381
7715.0000 -93.47715 -91.33427 2.14288 1.89708 -90.65757 485.75787
7720.0000 -93.32999 -91.81310 1.51689 1.81395 -91.59716 401.67095
7725.0000 -93.33055 -91.13735 2.19320 1.82469 -91.47570 410.21715
7730.0000 -93.08636 -90.96719 2.11918 1.86072 -91.06848 447.44034
7735.0000 -93.13471 -90.89494 2.23977 1.86966 -90.96747 454.74684
7740.0000 -93.54448 -91.83036 1.71411 1.82643 -91.45604 411.48727
7745.0000 -93.33836 -90.81862 2.51974 1.82959 -91.42037 426.00547
7750.0000 -92.96582 -90.54249 2.42333 1.87044 -90.95860 463.23081
FREEZING PROCESS: loop number 32 T-loop= 422.00000000000000
main_MD> interactions number 32 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65758 0.86626 -0.35404
force_rgl> df(natom) -0.92312 -2.52408 -0.03401
7755.0000 -93.29100 -91.06621 2.22479 1.89175 -90.71779 474.25274
7760.0000 -93.36364 -91.38454 1.97910 1.82961 -91.42012 432.16005
7765.0000 -93.47285 -91.35328 2.11957 1.84302 -91.26851 453.32263
7770.0000 -93.38154 -91.43267 1.94888 1.82973 -91.41882 406.74235
7775.0000 -93.23590 -91.14027 2.09563 1.87053 -90.95757 455.32889
7780.0000 -93.82716 -91.27048 2.55667 1.85008 -91.18878 441.46852
7785.0000 -93.08193 -91.20502 1.87691 1.84492 -91.24713 433.49582
7790.0000 -93.42879 -91.86357 1.56522 1.83568 -91.35158 414.75058
7795.0000 -93.58636 -91.85420 1.73216 1.82019 -91.52666 404.44425
7800.0000 -93.56080 -91.35109 2.20971 1.81462 -91.58961 393.97105
7805.0000 -93.84749 -91.06270 2.78479 1.84384 -91.25927 431.84073
7810.0000 -93.59690 -91.52474 2.07216 1.85182 -91.16909 426.46511
7815.0000 -93.59759 -91.77135 1.82624 1.81172 -91.62240 405.50266
7820.0000 -93.30192 -91.76095 1.54097 1.80907 -91.65230 366.22514
7825.0000 -93.24148 -90.91509 2.32639 1.84129 -91.28807 413.54223
7830.0000 -93.55391 -91.80122 1.75269 1.83566 -91.35178 419.16819
7835.0000 -93.51283 -91.48703 2.02580 1.81058 -91.63527 383.61726
7840.0000 -92.73271 -90.85762 1.87509 1.87070 -90.95565 445.13096
7845.0000 -93.38803 -91.30114 2.08688 1.84567 -91.23867 426.86215
7850.0000 -92.97509 -90.98868 1.98641 1.85966 -91.08053 446.23703
7855.0000 -93.20715 -90.85713 2.35002 1.86008 -91.07574 432.23298
7860.0000 -93.14234 -91.27502 1.86732 1.88402 -90.80520 454.69623
7865.0000 -93.30628 -91.52185 1.78443 1.83886 -91.31557 424.64918
7870.0000 -93.65215 -92.04788 1.60428 1.82208 -91.50530 416.06577
7875.0000 -93.34290 -91.81250 1.53041 1.78887 -91.88066 354.38683
7880.0000 -93.29252 -91.29186 2.00066 1.81639 -91.56957 386.81822
7885.0000 -93.89897 -91.66963 2.22934 1.83289 -91.38308 424.31653
7890.0000 -93.79938 -91.54297 2.25641 1.83332 -91.37816 435.38383
7895.0000 -93.58666 -91.64605 1.94061 1.80542 -91.69351 389.58522
7900.0000 -93.58758 -91.65143 1.93614 1.83124 -91.40169 411.24260
7905.0000 -93.54518 -91.13897 2.40621 1.83497 -91.35956 435.50521
7910.0000 -93.93285 -91.53280 2.40005 1.85476 -91.13586 458.67979
7915.0000 -93.39205 -91.66160 1.73045 1.83726 -91.33365 446.10559
7920.0000 -93.11734 -90.90594 2.21139 1.82418 -91.48153 422.69462
7925.0000 -93.91631 -92.00878 1.90754 1.83174 -91.39608 418.09428
7930.0000 -93.45457 -91.51210 1.94248 1.78541 -91.91972 366.71849
7935.0000 -93.13744 -91.32975 1.80769 1.81531 -91.58177 389.23861
7940.0000 -93.47026 -91.22511 2.24515 1.84219 -91.27798 426.76974
7945.0000 -93.94718 -91.69717 2.25001 1.83536 -91.35519 415.87261
7950.0000 -93.08744 -91.61125 1.47619 1.80872 -91.65627 394.92230
7955.0000 -93.20774 -91.24443 1.96330 1.81790 -91.55250 418.86282
7960.0000 -93.90085 -91.51943 2.38143 1.81304 -91.60746 416.61579
7965.0000 -93.55152 -91.93594 1.61558 1.81993 -91.52950 426.96267
7970.0000 -93.26509 -91.34140 1.92369 1.81708 -91.56172 427.15113
7975.0000 -92.94607 -90.57443 2.37164 1.87510 -90.90598 466.23700
7980.0000 -92.82940 -91.04827 1.78112 1.85257 -91.16061 441.00579
7985.0000 -93.60602 -91.76418 1.84184 1.85747 -91.10524 425.97279
7990.0000 -92.94715 -91.19165 1.75550 1.79829 -91.77410 361.72043
7995.0000 -93.73651 -91.38652 2.34998 1.84232 -91.27652 408.92239
8000.0000 -93.18412 -91.08164 2.10248 1.83602 -91.34770 413.48817
FREEZING PROCESS: loop number 33 T-loop= 397.00000000000000
main_MD> interactions number 33 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10921 0.55245 1.96106
force_rgl> df(natom) 1.11507 0.15459 0.59549
8005.0000 -92.74286 -90.75142 1.99144 1.87085 -90.95399 419.88579
8010.0000 -93.52511 -91.28914 2.23597 1.83978 -91.30517 422.23109
8015.0000 -93.18158 -91.41465 1.76693 1.83022 -91.41326 432.71255
8020.0000 -94.04740 -92.24913 1.79826 1.79106 -91.85585 391.74556
8025.0000 -93.93545 -92.12597 1.80948 1.76137 -92.19140 357.64421
8030.0000 -93.75861 -91.60183 2.15678 1.77663 -92.01894 370.52024
8035.0000 -93.32809 -91.08774 2.24035 1.81182 -91.62124 406.03765
8040.0000 -93.73383 -91.52576 2.20807 1.84245 -91.27496 438.45890
8045.0000 -92.98969 -90.72329 2.26640 1.84751 -91.21782 435.09624
8050.0000 -93.56259 -91.13899 2.42360 1.85562 -91.12611 438.61168
8055.0000 -93.38564 -91.58763 1.79801 1.85218 -91.16507 426.54408
8060.0000 -93.67559 -91.97587 1.69973 1.79902 -91.76593 383.72597
8065.0000 -94.12187 -92.23522 1.88665 1.76151 -92.18986 364.90866
8070.0000 -94.00465 -92.56321 1.44144 1.74213 -92.40892 328.46140
8075.0000 -93.87438 -91.99150 1.88288 1.72064 -92.65182 301.15860
8080.0000 -93.56776 -91.30050 2.26726 1.81561 -91.57839 410.62614
8085.0000 -93.84671 -91.67880 2.16792 1.81740 -91.55819 425.30934
8090.0000 -93.86825 -91.51587 2.35238 1.79175 -91.84812 390.62264
8095.0000 -93.88747 -91.56266 2.32481 1.81621 -91.57157 424.48761
8100.0000 -93.44906 -91.45158 1.99748 1.81939 -91.53569 419.99365
8105.0000 -93.95946 -91.57591 2.38354 1.82496 -91.47273 418.54456
8110.0000 -93.51118 -90.89000 2.62118 1.83280 -91.38412 438.79514
8115.0000 -93.84159 -92.22034 1.62125 1.83382 -91.37252 429.52296
8120.0000 -94.09250 -91.91443 2.17807 1.79337 -91.82975 398.24756
8125.0000 -93.27987 -91.23676 2.04311 1.82391 -91.48454 432.88326
8130.0000 -93.55720 -91.83624 1.72096 1.82358 -91.48826 413.45233
8135.0000 -93.89318 -92.05468 1.83850 1.80075 -91.74637 378.15500
8140.0000 -93.80344 -91.60208 2.20136 1.79394 -91.82328 395.72601
8145.0000 -93.99987 -91.97703 2.02284 1.80651 -91.68120 400.35878
8150.0000 -94.00120 -92.37167 1.62953 1.75373 -92.27781 344.04686
8155.0000 -94.03372 -92.51986 1.51387 1.73960 -92.43754 336.76085
8160.0000 -93.83056 -91.62551 2.20504 1.77454 -92.04261 378.50531
8165.0000 -93.27211 -91.61380 1.65831 1.81188 -91.62058 407.92997
8170.0000 -93.83637 -91.79659 2.03978 1.81949 -91.53453 428.64869
8175.0000 -93.08423 -90.89840 2.18584 1.83990 -91.30384 425.46968
8180.0000 -93.41434 -91.60778 1.80657 1.83870 -91.31739 423.39721
8185.0000 -93.56431 -91.73516 1.82916 1.80688 -91.67711 413.90292
8190.0000 -94.12827 -91.81858 2.30969 1.78441 -91.93104 382.03829
8195.0000 -93.55141 -91.70802 1.84339 1.79390 -91.82378 366.94397
8200.0000 -93.51301 -91.41541 2.09760 1.82240 -91.50161 417.74307
8205.0000 -93.33558 -91.68553 1.65005 1.82922 -91.42450 423.37982
8210.0000 -94.08529 -92.33270 1.75259 1.78466 -91.92818 369.67281
8215.0000 -93.43779 -91.73632 1.70147 1.77706 -92.01412 370.68187
8220.0000 -93.64794 -92.18826 1.45968 1.78419 -91.93353 377.66821
8225.0000 -93.95604 -91.75685 2.19919 1.79593 -91.80079 379.82462
8230.0000 -93.14968 -91.42326 1.72642 1.82172 -91.50930 418.02360
8235.0000 -94.07954 -92.26321 1.81632 1.80501 -91.69820 397.32069
8240.0000 -93.40699 -91.07619 2.33080 1.79613 -91.79856 388.30359
8245.0000 -93.98288 -92.32065 1.66223 1.80321 -91.71853 383.42338
8250.0000 -93.40035 -91.46860 1.93175 1.79755 -91.78247 383.13802
FREEZING PROCESS: loop number 34 T-loop= 372.00000000000000
main_MD> interactions number 34 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39526 0.70424 -1.17296
force_rgl> df(natom) -1.79957 -1.56513 0.19894
8255.0000 -93.67768 -91.44307 2.23461 1.82746 -91.44440 399.91727
8260.0000 -93.41688 -91.63993 1.77696 1.82351 -91.48912 401.71406
8265.0000 -93.62297 -92.18451 1.43846 1.79638 -91.79571 370.00887
8270.0000 -93.24894 -91.73790 1.51104 1.79793 -91.77824 365.79762
8275.0000 -94.01033 -92.04417 1.96616 1.78241 -91.95360 365.04341
8280.0000 -93.74802 -91.88429 1.86373 1.78718 -91.89969 378.37320
8285.0000 -93.33565 -91.04428 2.29136 1.81694 -91.56334 407.61559
8290.0000 -93.89559 -91.55096 2.34463 1.86513 -91.01870 466.54227
8295.0000 -93.87078 -92.13867 1.73211 1.77959 -91.98554 382.56034
8300.0000 -93.75355 -91.69894 2.05461 1.78850 -91.88475 396.83148
8305.0000 -94.05610 -92.18626 1.86984 1.77341 -92.05538 376.07227
8310.0000 -94.09282 -91.77579 2.31703 1.76164 -92.18839 370.08175
8315.0000 -94.12780 -92.44835 1.67945 1.77748 -92.00930 379.92724
8320.0000 -94.11787 -91.76847 2.34940 1.76708 -92.12696 375.59212
8325.0000 -94.19817 -92.17750 2.02067 1.78351 -91.94123 391.56130
8330.0000 -94.01231 -92.40865 1.60366 1.75156 -92.30230 347.08062
8335.0000 -94.14632 -91.76553 2.38079 1.75034 -92.31613 355.24239
8340.0000 -93.67854 -91.57580 2.10274 1.82613 -91.45951 425.98027
8345.0000 -93.81925 -92.22775 1.59150 1.80656 -91.68063 399.10753
8350.0000 -93.58471 -91.72581 1.85890 1.77977 -91.98352 374.45967
8355.0000 -93.88706 -92.24611 1.64095 1.78452 -91.92975 385.32591
8360.0000 -94.16225 -92.55473 1.60752 1.73410 -92.49967 332.23988
8365.0000 -93.57324 -91.62210 1.95114 1.77242 -92.06656 371.50246
8370.0000 -94.30929 -92.46916 1.84013 1.75505 -92.26284 355.76160
8375.0000 -94.17307 -92.64686 1.52620 1.72914 -92.55572 329.39172
8380.0000 -93.52485 -92.19499 1.32986 1.74662 -92.35816 339.68692
8385.0000 -94.57569 -92.53335 2.04234 1.74593 -92.36591 341.34282
8390.0000 -93.91974 -92.06012 1.85961 1.75695 -92.24138 359.30564
8395.0000 -93.95529 -92.03115 1.92414 1.76666 -92.13165 369.27140
8400.0000 -94.26308 -92.66691 1.59616 1.74461 -92.38084 347.05630
8405.0000 -93.74506 -92.14042 1.60465 1.74875 -92.33411 352.34166
8410.0000 -94.35507 -92.45152 1.90355 1.72788 -92.56999 328.07411
8415.0000 -93.79999 -91.73848 2.06151 1.76185 -92.18606 366.64630
8420.0000 -93.69202 -92.14978 1.54224 1.79658 -91.79352 380.80723
8425.0000 -93.56786 -91.91999 1.64787 1.78097 -91.96990 334.77273
8430.0000 -94.30549 -92.19340 2.11209 1.75458 -92.26824 314.39691
8435.0000 -94.01468 -92.16010 1.85458 1.76596 -92.13957 373.53457
8440.0000 -93.49742 -91.68299 1.81443 1.78382 -91.93773 391.36673
8445.0000 -93.62254 -91.72350 1.89904 1.80454 -91.70355 404.18220
8450.0000 -93.85568 -92.00831 1.84736 1.79906 -91.76542 393.46814
8455.0000 -94.24663 -92.02242 2.22421 1.78100 -91.96957 390.22936
8460.0000 -94.10891 -92.56499 1.54392 1.75259 -92.29069 357.77401
8465.0000 -94.04145 -92.32374 1.71771 1.72665 -92.58388 328.91032
8470.0000 -93.48428 -91.92640 1.55788 1.76958 -92.09866 362.38266
8475.0000 -93.97957 -91.82966 2.14992 1.77234 -92.06748 368.11581
8480.0000 -93.74411 -91.38091 2.36321 1.78398 -91.93587 372.76047
8485.0000 -93.79914 -92.12238 1.67676 1.81055 -91.63561 396.09397
8490.0000 -93.72597 -91.88057 1.84541 1.77202 -92.07106 347.24120
8495.0000 -93.49167 -92.00426 1.48741 1.77198 -92.07151 355.10611
8500.0000 -93.97920 -92.16534 1.81387 1.77084 -92.08436 342.19307
FREEZING PROCESS: loop number 35 T-loop= 347.00000000000000
main_MD> interactions number 35 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06143 1.81038 0.94089
force_rgl> df(natom) 2.10651 1.94338 1.54120
8505.0000 -93.65119 -91.99541 1.65578 1.78249 -91.95270 358.84862
8510.0000 -93.73182 -91.87079 1.86103 1.76791 -92.11752 368.27320
8515.0000 -93.47353 -91.68975 1.78378 1.77467 -92.04109 373.13486
8520.0000 -93.87932 -91.83809 2.04123 1.81712 -91.56135 406.16532
8525.0000 -93.60323 -91.90847 1.69476 1.78795 -91.89100 380.95846
8530.0000 -94.24181 -92.53880 1.70300 1.76730 -92.12437 357.39726
8535.0000 -94.08580 -92.49548 1.59032 1.73699 -92.46701 334.39160
8540.0000 -93.75435 -92.48066 1.27369 1.73625 -92.47538 339.85531
8545.0000 -94.24916 -92.76489 1.48426 1.72874 -92.56023 323.15331
8550.0000 -94.16907 -92.62746 1.54161 1.71522 -92.71307 316.02478
8555.0000 -94.04882 -92.03717 2.01164 1.75278 -92.28850 355.04342
8560.0000 -94.10155 -92.21576 1.88579 1.76912 -92.10386 370.33284
8565.0000 -93.98670 -92.70039 1.28631 1.75001 -92.31990 344.55694
8570.0000 -93.76726 -92.03322 1.73404 1.74942 -92.32650 348.49892
8575.0000 -93.74307 -92.13286 1.61021 1.76521 -92.14803 366.20518
8580.0000 -94.38062 -92.97546 1.40516 1.73801 -92.45553 338.37636
8585.0000 -93.99964 -92.40048 1.59916 1.72119 -92.64558 322.52828
8590.0000 -94.29666 -92.22239 2.07427 1.76223 -92.18174 366.07940
8595.0000 -94.34666 -92.37619 1.97047 1.75326 -92.28307 354.32662
8600.0000 -94.29788 -93.03445 1.26343 1.71387 -92.72835 310.00152
8605.0000 -94.12975 -92.75430 1.37545 1.70114 -92.87217 301.23016
8610.0000 -93.74023 -92.33606 1.40417 1.72450 -92.60816 317.98335
8615.0000 -93.78042 -92.20682 1.57360 1.76756 -92.12150 355.20870
8620.0000 -93.86260 -92.10829 1.75431 1.77368 -92.05237 358.71704
8625.0000 -93.65293 -91.86999 1.78294 1.77916 -91.99034 373.62699
8630.0000 -93.99853 -92.25395 1.74458 1.75513 -92.26193 325.51580
8635.0000 -94.01996 -92.01541 2.00455 1.76249 -92.17881 340.00897
8640.0000 -93.40025 -91.50878 1.89146 1.79123 -91.85392 364.77524
8645.0000 -93.93841 -91.71840 2.22000 1.83356 -91.37552 387.44992
8650.0000 -94.49995 -92.71829 1.78166 1.75775 -92.23234 348.60982
8655.0000 -94.23105 -92.85770 1.37335 1.70457 -92.83341 307.86234
8660.0000 -94.21525 -92.49052 1.72474 1.72295 -92.62573 331.98623
8665.0000 -94.10365 -92.04508 2.05857 1.77183 -92.07317 373.64945
8670.0000 -94.43177 -92.78512 1.64665 1.76099 -92.19569 367.17087
8675.0000 -93.76949 -92.03044 1.73905 1.77195 -92.07184 340.86357
8680.0000 -93.55661 -92.03310 1.52351 1.76946 -92.10002 351.96138
8685.0000 -93.90005 -92.60392 1.29613 1.74125 -92.41883 336.46146
8690.0000 -94.26163 -92.17125 2.09038 1.74738 -92.34958 351.33407
8695.0000 -93.88391 -92.28744 1.59647 1.73181 -92.52556 328.05847
8700.0000 -94.02629 -92.48144 1.54485 1.77096 -92.08308 377.01100
8705.0000 -93.38205 -91.67178 1.71028 1.78433 -91.93194 382.62666
8710.0000 -94.03051 -92.50608 1.52443 1.75835 -92.22562 331.21175
8715.0000 -94.07643 -92.20657 1.86985 1.74329 -92.39585 331.41501
8720.0000 -94.26797 -92.51240 1.75557 1.73986 -92.43461 340.52352
8725.0000 -94.14923 -92.29264 1.85659 1.73767 -92.45932 336.83194
8730.0000 -93.93200 -92.19804 1.73395 1.73984 -92.43479 343.15895
8735.0000 -94.38035 -92.93063 1.44973 1.72532 -92.59895 326.64219
8740.0000 -94.66443 -92.69100 1.97343 1.69915 -92.89469 304.15658
8745.0000 -94.59150 -93.14711 1.44439 1.69704 -92.91855 298.44893
8750.0000 -94.28061 -92.56016 1.72045 1.71050 -92.76644 318.60679
FREEZING PROCESS: loop number 36 T-loop= 322.00000000000000
main_MD> interactions number 36 at Temperature= 322.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63651 -0.29412 0.05339
force_rgl> df(natom) -1.88001 -1.29418 1.02068
8755.0000 -93.73816 -91.82975 1.90841 1.78071 -91.97287 389.08740
8760.0000 -93.86233 -92.34190 1.52044 1.77162 -92.07559 379.63255
8765.0000 -94.21106 -92.27500 1.93606 1.73312 -92.51076 335.97223
8770.0000 -93.83278 -92.35141 1.48136 1.75435 -92.27085 350.44535
8775.0000 -94.28592 -92.67338 1.61254 1.74527 -92.37343 343.96208
8780.0000 -94.43485 -92.86164 1.57321 1.71190 -92.75063 313.10472
8785.0000 -94.11354 -92.46026 1.65328 1.72725 -92.57713 330.73582
8790.0000 -93.90745 -92.13548 1.77197 1.73067 -92.53847 335.42745
8795.0000 -94.21819 -92.56703 1.65116 1.75778 -92.23198 351.97749
8800.0000 -94.14081 -92.51268 1.62814 1.71060 -92.76527 313.31469
8805.0000 -94.12717 -92.51488 1.61229 1.72039 -92.65469 325.40312
8810.0000 -94.08913 -92.13888 1.95025 1.74386 -92.38932 346.65462
8815.0000 -94.14508 -92.30248 1.84259 1.75847 -92.22420 356.53098
8820.0000 -94.19956 -92.42905 1.77051 1.73235 -92.51942 326.70409
8825.0000 -93.99503 -92.83127 1.16377 1.70996 -92.77250 312.02455
8830.0000 -94.34862 -93.15020 1.19842 1.70876 -92.78613 281.40217
8835.0000 -94.29768 -93.12402 1.17366 1.67666 -93.14886 255.36472
8840.0000 -94.24079 -92.73289 1.50791 1.70199 -92.86262 300.53868
8845.0000 -94.21749 -92.89321 1.32428 1.70068 -92.87737 304.26378
8850.0000 -94.55442 -93.16024 1.39418 1.69696 -92.91952 294.43715
8855.0000 -94.25617 -92.43138 1.82479 1.70406 -92.83919 301.70807
8860.0000 -94.09410 -92.63657 1.45753 1.72175 -92.63932 323.33889
8865.0000 -94.37348 -92.54611 1.82737 1.71039 -92.76768 309.29986
8870.0000 -94.20762 -92.46340 1.74421 1.72045 -92.65395 326.80365
8875.0000 -94.35207 -92.85340 1.49867 1.70361 -92.84435 302.01069
8880.0000 -94.33279 -92.25686 2.07594 1.71466 -92.71937 309.08503
8885.0000 -93.95577 -92.91406 1.04171 1.72800 -92.56860 322.88484
8890.0000 -93.97484 -92.33137 1.64346 1.76727 -92.12474 366.28855
8895.0000 -94.47476 -92.85333 1.62143 1.72733 -92.57622 333.09930
8900.0000 -94.07156 -92.69354 1.37802 1.70121 -92.87147 298.54096
8905.0000 -94.17423 -92.56189 1.61234 1.73646 -92.47297 333.66586
8910.0000 -94.40056 -92.95698 1.44357 1.73429 -92.49758 333.29350
8915.0000 -94.38537 -92.78414 1.60123 1.70003 -92.88474 298.17852
8920.0000 -93.94657 -92.09268 1.85389 1.73967 -92.43666 338.36985
8925.0000 -93.85447 -92.50496 1.34950 1.76695 -92.12841 365.74851
8930.0000 -94.53936 -93.26368 1.27569 1.69637 -92.92616 291.38596
8935.0000 -94.10693 -92.80251 1.30442 1.70322 -92.84868 297.04295
8940.0000 -94.16635 -92.55535 1.61101 1.71416 -92.72503 314.34356
8945.0000 -94.64470 -93.14063 1.50406 1.68465 -93.05859 284.95974
8950.0000 -94.07250 -92.72768 1.34483 1.69403 -92.95254 293.39248
8955.0000 -94.76655 -93.07079 1.69576 1.70934 -92.77953 307.65936
8960.0000 -94.64586 -93.07076 1.57510 1.67347 -93.18499 270.60793
8965.0000 -94.30785 -92.66268 1.64517 1.70987 -92.77359 321.13437
8970.0000 -94.42698 -92.99104 1.43594 1.70363 -92.84403 311.87663
8975.0000 -94.44478 -92.92904 1.51575 1.68646 -93.03812 280.26552
8980.0000 -94.09320 -92.46410 1.62910 1.72626 -92.58835 315.60650
8985.0000 -94.82175 -93.19979 1.62196 1.71705 -92.69234 312.56400
8990.0000 -94.35024 -93.08404 1.26620 1.68556 -93.04829 284.42156
8995.0000 -94.66649 -93.21119 1.45530 1.67994 -93.11181 275.66066
9000.0000 -94.51275 -92.92807 1.58468 1.69203 -92.97515 289.67968
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 23.2579125 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink