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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_67/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_67.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 = 67 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 67 6700
main_MD> Size of nv and nvoiz: 67 6700
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 = 67
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> 0.16916152877855600 5.7824500943059312E-002 -8.8499796432804562E-002 initial drift of cluster / NP1 for coalescence
init> 0.30887377378738817 0.33132648707318030 0.26298125407509748 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8412059960961004E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.25332 0.88343 -0.28645
force_rgl> df(natom) 0.16857 -0.89279 0.80846
preparo> THERMALIZATION PROCESS AT 1277.5854528972266
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -144.22073925220295 10.660251298734400 -154.88099055093736 6.9283721615090714E-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 39
FREEZING PROCESS: loop number 1 T-loop= 1255.0000000000000
main_MD> interactions number 1 at Temperature= 1255.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38391 1.15369 2.47431
force_rgl> df(natom) -2.06715 1.06184 0.50674
5.0000 -154.47380 -142.01194 12.46186 3.35215 -142.35229 1387.55895
10.0000 -155.66829 -143.11691 12.55138 3.34574 -142.45815 1372.94184
15.0000 -155.42173 -146.03210 9.38963 3.11190 -146.31558 1195.10093
20.0000 -156.64321 -145.53033 11.11287 3.15298 -145.63792 1220.04569
25.0000 -154.10800 -144.07756 10.03044 3.15808 -145.55382 1219.43216
30.0000 -153.00453 -139.60667 13.39786 3.34796 -142.42140 1382.52973
35.0000 -156.34267 -145.13673 11.20593 3.33142 -142.69424 1375.42864
40.0000 -156.45465 -145.02992 11.42473 3.20854 -144.72135 1299.11585
45.0000 -153.46163 -142.79534 10.66628 3.23233 -144.32885 1305.14142
50.0000 -157.72672 -146.33243 11.39428 3.21676 -144.58584 1273.77681
55.0000 -157.41601 -146.99661 10.41940 3.16287 -145.47471 1246.92481
60.0000 -155.54368 -146.12935 9.41433 3.14563 -145.75909 1257.10703
65.0000 -158.38480 -148.55933 9.82547 3.07135 -146.98452 1174.00455
70.0000 -157.25201 -145.40851 11.84350 3.03745 -147.54363 1158.62989
75.0000 -155.79178 -143.99947 11.79231 3.17603 -145.25770 1261.66901
80.0000 -154.95109 -145.27300 9.67809 3.21389 -144.63314 1303.56589
85.0000 -152.34927 -142.06575 10.28353 3.20018 -144.85935 1279.73991
90.0000 -155.38881 -145.13941 10.24941 3.33246 -142.67716 1360.92603
95.0000 -156.35272 -144.86764 11.48508 3.20227 -144.82473 1293.08379
100.0000 -155.71193 -144.30296 11.40897 3.23360 -144.30800 1316.88359
105.0000 -156.04385 -144.46064 11.58321 3.29219 -143.34145 1337.82354
110.0000 -156.86198 -144.75360 12.10837 3.25360 -143.97813 1305.02819
115.0000 -155.38722 -144.70584 10.68137 3.18580 -145.09657 1285.42442
120.0000 -153.36287 -141.67284 11.69003 3.28662 -143.43337 1374.98662
125.0000 -156.10900 -144.98054 11.12846 3.26063 -143.86201 1318.15873
130.0000 -157.39223 -147.11826 10.27397 3.15279 -145.64101 1233.24818
135.0000 -156.83236 -144.49535 12.33701 3.18553 -145.10101 1255.96125
140.0000 -156.01039 -144.97384 11.03655 3.14635 -145.74720 1263.00159
145.0000 -155.11547 -144.54886 10.56661 3.22698 -144.41720 1281.43885
150.0000 -156.93724 -144.08785 12.84940 3.27746 -143.58442 1290.32097
155.0000 -154.85569 -144.62407 10.23161 3.20641 -144.75648 1271.78209
160.0000 -155.24352 -144.49393 10.74959 3.21068 -144.68611 1278.04127
165.0000 -155.00605 -144.99545 10.01060 3.17534 -145.26909 1257.43317
170.0000 -157.12964 -145.04785 12.08179 3.16340 -145.46601 1242.87097
175.0000 -155.37261 -145.73802 9.63460 3.16032 -145.51673 1265.30821
180.0000 -155.80858 -143.94686 11.86172 3.27517 -143.62221 1306.82096
185.0000 -155.27905 -143.35459 11.92446 3.22651 -144.42492 1296.08491
190.0000 -156.29193 -144.37292 11.91901 3.21276 -144.65179 1278.18540
195.0000 -157.01692 -144.97932 12.03760 3.22237 -144.49319 1299.81487
200.0000 -155.92089 -145.58697 10.33391 3.10363 -146.45199 1202.49255
205.0000 -157.72394 -148.03160 9.69233 3.04967 -147.34205 1204.60338
210.0000 -154.32559 -145.25439 9.07120 3.10507 -146.42818 1219.53365
215.0000 -156.24851 -145.80301 10.44550 3.18673 -145.08122 1259.21909
220.0000 -157.20424 -145.95189 11.25234 3.13277 -145.97121 1243.87069
225.0000 -157.45875 -146.69570 10.76304 3.19733 -144.90622 1250.62236
230.0000 -159.76226 -149.39544 10.36681 2.93500 -149.23368 1106.05996
235.0000 -157.82906 -146.85387 10.97519 2.99861 -148.18436 1162.78181
240.0000 -157.95503 -146.03284 11.92219 3.07403 -146.94029 1209.62497
245.0000 -154.61531 -144.06774 10.54757 3.20445 -144.78891 1287.93256
250.0000 -154.84681 -143.09461 11.75220 3.27676 -143.59598 1307.73491
FREEZING PROCESS: loop number 2 T-loop= 1230.0000000000000
main_MD> interactions number 2 at Temperature= 1230.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84758 4.97281 -1.61586
force_rgl> df(natom) 0.09993 0.81728 -0.46675
255.0000 -154.82360 -143.28345 11.54016 3.33177 -142.68856 1366.57215
260.0000 -158.65510 -147.42267 11.23243 3.23646 -144.26072 1257.92163
265.0000 -157.22041 -146.67674 10.54367 3.05737 -147.21504 1187.69863
270.0000 -157.31632 -144.35265 12.96367 3.18211 -145.15742 1264.22096
275.0000 -157.23345 -145.95630 11.27715 3.18616 -145.09053 1269.37062
280.0000 -155.62564 -145.43450 10.19114 3.19718 -144.90872 1282.62765
285.0000 -155.20509 -145.62960 9.57549 3.16726 -145.40239 1247.93843
290.0000 -155.18176 -145.02151 10.16025 3.15299 -145.63781 1258.19874
295.0000 -155.89768 -143.80376 12.09392 3.25042 -144.03048 1315.23948
300.0000 -157.09076 -144.96271 12.12805 3.23852 -144.22687 1281.75350
305.0000 -157.75803 -147.47616 10.28187 3.14067 -145.84100 1279.44571
310.0000 -158.28644 -148.11104 10.17539 3.01011 -147.99479 1200.00278
315.0000 -156.85682 -146.12131 10.73550 3.00368 -148.10082 1157.29726
320.0000 -153.61386 -142.86426 10.74960 3.27493 -143.62615 1305.03775
325.0000 -157.08750 -146.54714 10.54036 3.19899 -144.87888 1262.83742
330.0000 -158.89217 -149.46305 9.42912 3.06947 -147.01554 1194.44075
335.0000 -156.63870 -146.47524 10.16345 2.99261 -148.28340 1137.16456
340.0000 -155.15909 -144.23964 10.91945 3.15089 -145.67239 1246.22677
345.0000 -155.11296 -143.72272 11.39024 3.24137 -144.17988 1246.17455
350.0000 -153.55834 -144.36852 9.18982 3.29794 -143.24656 1349.48015
355.0000 -154.21409 -142.83399 11.38010 3.22923 -144.38005 1298.75722
360.0000 -154.00889 -142.59857 11.41032 3.24409 -144.13495 1304.20047
365.0000 -157.72518 -145.74525 11.97993 3.27077 -143.69484 1325.89339
370.0000 -155.02958 -144.21572 10.81386 3.20686 -144.74916 1262.99663
375.0000 -157.86227 -147.07334 10.78893 3.16593 -145.42431 1283.99616
380.0000 -158.10070 -146.60388 11.49682 3.09980 -146.51521 1219.39539
385.0000 -155.71038 -145.79049 9.91989 3.07912 -146.85625 1246.77845
390.0000 -155.73361 -145.11942 10.61420 3.15142 -145.66367 1223.08956
395.0000 -152.67259 -141.32750 11.34508 3.32289 -142.83507 1377.08270
400.0000 -153.80658 -143.46072 10.34586 3.29340 -143.32148 1343.63492
405.0000 -156.68353 -145.12100 11.56253 3.14718 -145.73352 1258.63855
410.0000 -157.43412 -145.57557 11.85855 3.23225 -144.33019 1326.19311
415.0000 -156.15049 -146.38634 9.76415 3.15042 -145.68015 1256.36844
420.0000 -157.77531 -147.37692 10.39838 3.05368 -147.27596 1189.74600
425.0000 -155.52723 -144.71209 10.81514 3.09851 -146.53649 1209.10879
430.0000 -156.16902 -144.90522 11.26379 3.21030 -144.69226 1274.29602
435.0000 -155.27794 -143.86804 11.40991 3.26583 -143.77635 1309.18697
440.0000 -153.45340 -142.23150 11.22190 3.29475 -143.29929 1348.15566
445.0000 -153.44565 -143.58375 9.86190 3.32143 -142.85915 1309.21064
450.0000 -156.52147 -145.77970 10.74177 3.24620 -144.10016 1318.75256
455.0000 -156.95644 -142.56887 14.38757 3.22634 -144.42774 1302.46447
460.0000 -156.96298 -147.19309 9.76988 3.17413 -145.28903 1246.37700
465.0000 -154.11633 -143.27106 10.84527 3.14399 -145.78623 1223.94855
470.0000 -155.03315 -142.75023 12.28293 3.25147 -144.01313 1287.69038
475.0000 -155.52819 -144.97275 10.55544 3.25984 -143.87507 1348.38150
480.0000 -157.41886 -147.47026 9.94860 3.15267 -145.64296 1267.90252
485.0000 -157.62319 -147.44841 10.17478 3.08827 -146.70542 1185.76184
490.0000 -157.81358 -146.43788 11.37571 3.08051 -146.83335 1185.22064
495.0000 -155.09052 -146.18934 8.90118 3.15948 -145.53062 1225.82498
500.0000 -157.33636 -145.51486 11.82150 3.10674 -146.40074 1182.70173
FREEZING PROCESS: loop number 3 T-loop= 1205.0000000000000
main_MD> interactions number 3 at Temperature= 1205.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47319 0.89729 3.18882
force_rgl> df(natom) 1.17032 -2.14236 1.13574
505.0000 -154.63534 -142.94326 11.69208 3.26862 -143.73035 1301.50623
510.0000 -156.94364 -144.81325 12.13038 3.24548 -144.11204 1245.16747
515.0000 -158.20617 -147.00635 11.19981 3.21442 -144.62439 1274.69802
520.0000 -158.92851 -148.05153 10.87698 3.05408 -147.26932 1173.66203
525.0000 -158.47268 -148.17836 10.29432 2.98894 -148.34391 1142.71783
530.0000 -156.97230 -145.33550 11.63680 3.13911 -145.86672 1248.98308
535.0000 -157.44736 -144.39059 13.05677 3.19752 -144.90309 1274.81927
540.0000 -154.62307 -144.85993 9.76313 3.17051 -145.34874 1297.45125
545.0000 -155.80355 -145.17016 10.63338 3.21200 -144.66433 1275.25672
550.0000 -155.79227 -146.42476 9.36751 3.16340 -145.46603 1269.84289
555.0000 -155.43627 -144.38940 11.04687 3.13713 -145.89941 1212.23221
560.0000 -155.37825 -143.64984 11.72841 3.22379 -144.46988 1263.04555
565.0000 -155.27676 -145.15919 10.11757 3.17590 -145.25987 1231.72947
570.0000 -154.95060 -145.14290 9.80770 3.14910 -145.70183 1243.53376
575.0000 -157.20293 -147.35474 9.84819 3.08701 -146.72612 1192.08167
580.0000 -159.38231 -148.25319 11.12912 2.97767 -148.52992 1133.79138
585.0000 -157.09238 -146.95173 10.14065 2.99871 -148.18268 1128.90719
590.0000 -156.63030 -145.81348 10.81682 3.17338 -145.30141 1281.55888
595.0000 -156.25520 -146.14892 10.10628 3.11980 -146.18530 1180.52828
600.0000 -158.36163 -147.27131 11.09032 3.11989 -146.18369 1260.14201
605.0000 -157.55959 -147.60791 9.95168 3.03237 -147.62758 1130.98218
610.0000 -159.68610 -148.51421 11.17190 2.96181 -148.79146 1106.05924
615.0000 -158.56919 -149.30744 9.26175 2.95108 -148.96841 1088.39839
620.0000 -155.17270 -145.53851 9.63418 3.06604 -147.07210 1163.65580
625.0000 -157.87632 -147.59147 10.28485 3.02700 -147.71609 1176.41284
630.0000 -156.05325 -146.20004 9.85321 3.07603 -146.90732 1202.12352
635.0000 -154.37303 -144.31272 10.06031 3.14774 -145.72437 1229.84422
640.0000 -154.80036 -145.25757 9.54279 3.20115 -144.84330 1264.37388
645.0000 -156.82731 -144.25735 12.56996 3.19172 -144.99888 1258.74138
650.0000 -156.41866 -145.49972 10.91894 3.18256 -145.14987 1297.24404
655.0000 -156.14799 -145.53777 10.61022 3.20484 -144.78242 1295.17136
660.0000 -156.27973 -146.55403 9.72570 3.09130 -146.65540 1221.84071
665.0000 -157.06786 -144.18412 12.88374 3.13969 -145.85710 1209.65456
670.0000 -156.47399 -144.85831 11.61568 3.19645 -144.92085 1262.26708
675.0000 -155.99827 -145.49322 10.50504 3.14401 -145.78581 1217.41744
680.0000 -156.38208 -146.68961 9.69246 3.09942 -146.52146 1197.11902
685.0000 -155.55210 -145.06840 10.48370 3.08467 -146.76468 1196.99988
690.0000 -158.20989 -147.05303 11.15686 3.11448 -146.27299 1217.22458
695.0000 -154.77092 -144.82200 9.94892 3.10663 -146.40252 1192.86682
700.0000 -159.22758 -147.32707 11.90050 3.14669 -145.74168 1246.63653
705.0000 -156.96821 -145.21781 11.75040 3.15548 -145.59658 1290.80093
710.0000 -155.50448 -143.93092 11.57357 3.21277 -144.65159 1274.73058
715.0000 -156.30010 -146.27719 10.02291 3.21953 -144.54003 1317.75701
720.0000 -157.06834 -144.50082 12.56752 3.17582 -145.26118 1262.80433
725.0000 -157.29493 -144.97295 12.32198 3.17488 -145.27665 1295.69477
730.0000 -155.62957 -146.01408 9.61548 3.15424 -145.61709 1227.53330
735.0000 -158.12955 -147.20088 10.92868 3.16483 -145.44248 1240.95226
740.0000 -156.65059 -145.88823 10.76236 3.14731 -145.73142 1241.09996
745.0000 -158.06272 -147.86872 10.19401 3.06924 -147.01935 1182.95799
750.0000 -155.83823 -144.84483 10.99340 3.07014 -147.00444 1202.83558
FREEZING PROCESS: loop number 4 T-loop= 1180.0000000000000
main_MD> interactions number 4 at Temperature= 1180.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.15254 0.95289 2.93447
force_rgl> df(natom) 1.89604 -0.78284 -1.50335
755.0000 -156.48551 -146.25232 10.23319 3.16140 -145.49900 1229.16740
760.0000 -158.54471 -146.21498 12.32972 3.11361 -146.28739 1192.53916
765.0000 -156.15004 -146.65314 9.49690 3.10362 -146.45219 1227.40304
770.0000 -157.27287 -148.12620 9.14668 3.10050 -146.50361 1229.40639
775.0000 -156.46565 -146.23221 10.23345 3.05980 -147.17496 1203.22086
780.0000 -158.15226 -145.80129 12.35097 3.13871 -145.87335 1233.13640
785.0000 -159.56895 -148.72920 10.83975 3.09539 -146.58795 1238.18770
790.0000 -158.33573 -148.69592 9.63981 2.98885 -148.34549 1160.84696
795.0000 -158.97992 -149.27016 9.70976 2.97822 -148.52083 1106.34477
800.0000 -157.38380 -148.67899 8.70481 2.94577 -149.05606 1106.93884
805.0000 -159.87058 -150.40466 9.46592 2.92031 -149.47608 1071.52941
810.0000 -158.90092 -149.22448 9.67644 2.84070 -150.78930 1022.55423
815.0000 -156.64769 -146.92348 9.72421 2.97433 -148.58492 1119.25739
820.0000 -158.46747 -148.96578 9.50170 3.02554 -147.74012 1135.48688
825.0000 -158.47531 -148.85203 9.62327 2.95651 -148.87898 1118.92868
830.0000 -158.02066 -148.37443 9.64623 2.95650 -148.87899 1121.38952
835.0000 -159.07541 -147.58400 11.49141 3.03969 -147.50680 1157.16068
840.0000 -158.21864 -148.53880 9.67984 3.08957 -146.68399 1211.45000
845.0000 -158.76418 -148.37734 10.38684 3.05353 -147.27843 1138.62700
850.0000 -157.78201 -148.53216 9.24985 2.90366 -149.75068 1079.65147
855.0000 -157.14250 -146.17193 10.97057 3.00788 -148.03150 1134.02613
860.0000 -157.03831 -146.54311 10.49520 3.08659 -146.73306 1199.70523
865.0000 -157.44469 -147.19202 10.25267 3.11575 -146.25197 1200.83508
870.0000 -157.73552 -147.48821 10.24730 3.09263 -146.63342 1211.67361
875.0000 -155.34815 -144.86276 10.48539 3.11349 -146.28932 1248.00262
880.0000 -158.01444 -147.62722 10.38722 3.08965 -146.68252 1228.13402
885.0000 -157.52607 -146.20824 11.31782 3.04154 -147.47620 1168.61127
890.0000 -158.74677 -149.59271 9.15406 3.02643 -147.72552 1157.93675
895.0000 -159.01373 -149.20856 9.80517 2.88144 -150.11730 1029.28694
900.0000 -158.73841 -149.41435 9.32406 2.95755 -148.86180 1126.40043
905.0000 -156.41638 -145.95746 10.45892 2.99631 -148.22241 1114.31016
910.0000 -159.10686 -148.55410 10.55276 3.09962 -146.51810 1233.35823
915.0000 -155.94886 -144.90567 11.04319 3.13382 -145.95394 1234.82680
920.0000 -157.03956 -145.66303 11.37653 3.16057 -145.51270 1238.01224
925.0000 -157.15139 -146.03457 11.11682 3.12322 -146.12889 1219.10486
930.0000 -156.94826 -146.87040 10.07786 3.12889 -146.03529 1250.94220
935.0000 -157.19796 -146.60457 10.59339 3.05803 -147.20415 1172.02741
940.0000 -157.80322 -146.33517 11.46805 3.13472 -145.93914 1203.48945
945.0000 -159.63390 -149.98559 9.64830 2.95657 -148.87784 1098.89587
950.0000 -157.89796 -146.81997 11.07799 2.95756 -148.86162 1123.06642
955.0000 -157.27692 -147.30145 9.97547 3.11460 -146.27107 1214.36671
960.0000 -156.42391 -145.90142 10.52249 3.07077 -146.99398 1161.74966
965.0000 -155.01495 -143.76259 11.25236 3.19783 -144.89811 1278.44708
970.0000 -158.17268 -146.23093 11.94175 3.16187 -145.49122 1235.66394
975.0000 -154.15233 -142.97278 11.17955 3.16597 -145.42362 1234.12346
980.0000 -153.88862 -142.36342 11.52520 3.31327 -142.99378 1329.66982
985.0000 -157.22207 -147.54463 9.67744 3.23904 -144.21822 1280.97942
990.0000 -157.65993 -149.41685 8.24308 3.00400 -148.09545 1130.97521
995.0000 -158.24912 -145.72639 12.52273 3.04882 -147.35608 1179.67876
1000.0000 -157.71714 -145.96664 11.75050 3.08825 -146.70577 1193.06178
FREEZING PROCESS: loop number 5 T-loop= 1155.0000000000000
main_MD> interactions number 5 at Temperature= 1155.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.91747 -1.60890 1.14988
force_rgl> df(natom) -7.36207 1.02054 -5.09906
1005.0000 -154.38895 -143.46210 10.92685 3.19693 -144.91294 1258.89647
1010.0000 -155.12029 -141.97625 13.14404 3.29675 -143.26624 1353.42240
1015.0000 -156.31520 -145.82822 10.48698 3.23282 -144.32078 1294.37008
1020.0000 -157.87082 -149.27591 8.59491 2.99790 -148.19618 1104.67644
1025.0000 -155.79374 -146.26478 9.52897 3.01113 -147.97789 1075.06410
1030.0000 -158.19842 -150.05814 8.14028 2.98014 -148.48911 1138.82400
1035.0000 -157.77401 -147.10522 10.66879 3.02320 -147.77869 1161.23007
1040.0000 -155.97265 -145.43407 10.53858 3.13221 -145.98050 1183.85807
1045.0000 -156.34125 -147.14660 9.19465 3.11307 -146.29619 1236.88954
1050.0000 -155.72647 -146.62649 9.09999 3.03823 -147.53076 1149.59950
1055.0000 -157.51200 -146.87684 10.63515 3.03080 -147.65345 1113.95632
1060.0000 -156.04237 -145.32333 10.71905 3.06055 -147.16261 1190.82193
1065.0000 -156.28961 -144.87411 11.41550 3.16351 -145.46412 1267.34041
1070.0000 -157.43154 -147.84230 9.58924 3.16141 -145.49888 1227.03073
1075.0000 -159.69982 -149.39991 10.29991 2.93979 -149.15474 1095.59098
1080.0000 -159.15670 -150.48290 8.67379 2.86255 -150.42891 1044.30240
1085.0000 -158.97040 -148.60092 10.36947 2.94285 -149.10427 1119.03328
1090.0000 -156.39794 -147.42761 8.97033 2.93317 -149.26398 1093.61814
1095.0000 -157.69658 -145.92095 11.77563 3.00346 -148.10445 1163.09362
1100.0000 -156.79161 -147.07412 9.71749 3.12708 -146.06515 1203.94328
1105.0000 -157.99016 -147.61503 10.37513 3.03856 -147.52537 1135.67867
1110.0000 -159.91083 -148.66930 11.24153 2.95229 -148.94843 1121.14600
1115.0000 -158.95263 -147.73962 11.21300 3.02562 -147.73881 1165.22228
1120.0000 -160.89009 -149.69991 11.19019 2.94425 -149.08111 1070.58282
1125.0000 -157.21022 -148.55125 8.65897 2.97462 -148.58017 1079.90574
1130.0000 -157.44308 -148.10746 9.33562 2.99830 -148.18949 1113.67746
1135.0000 -159.85686 -150.52673 9.33014 2.90279 -149.76514 1055.89837
1140.0000 -158.25993 -148.63083 9.62910 2.91365 -149.58586 1064.86817
1145.0000 -156.50476 -146.26142 10.24334 3.01894 -147.84900 1133.64044
1150.0000 -156.72068 -147.49865 9.22203 3.04866 -147.35870 1183.53655
1155.0000 -158.35545 -148.69658 9.65887 3.05032 -147.33138 1182.76121
1160.0000 -156.49347 -147.11267 9.38080 3.01904 -147.84739 1164.31553
1165.0000 -158.11457 -148.63968 9.47489 3.05245 -147.29624 1156.53044
1170.0000 -157.46206 -149.09268 8.36937 2.96576 -148.72635 1093.39922
1175.0000 -158.82228 -149.82433 8.99795 2.88191 -150.10945 1037.12350
1180.0000 -157.31946 -148.48697 8.83249 2.89521 -149.89018 1042.57006
1185.0000 -159.21880 -147.45340 11.76540 3.03263 -147.62328 1144.29114
1190.0000 -157.53516 -146.70615 10.82901 3.03199 -147.63370 1141.99720
1195.0000 -156.77498 -147.70561 9.06938 3.05971 -147.17649 1191.46331
1200.0000 -154.10834 -144.99281 9.11553 3.10266 -146.46792 1218.31607
1205.0000 -155.08580 -145.56718 9.51863 3.16311 -145.47084 1221.76652
1210.0000 -155.95771 -146.75659 9.20112 3.09603 -146.57731 1189.85772
1215.0000 -156.30108 -144.44324 11.85784 3.13148 -145.99252 1200.77417
1220.0000 -157.59244 -148.13451 9.45793 3.14906 -145.70249 1258.52435
1225.0000 -157.67381 -148.50578 9.16803 2.95034 -148.98069 1092.98661
1230.0000 -156.17743 -145.85654 10.32089 2.97475 -148.57797 1115.69729
1235.0000 -155.62398 -145.30675 10.31723 3.08563 -146.74896 1175.83603
1240.0000 -157.53221 -146.08697 11.44524 3.16363 -145.46223 1231.29446
1245.0000 -157.11817 -146.88003 10.23815 3.10627 -146.40836 1199.55546
1250.0000 -155.90449 -146.56403 9.34046 3.11864 -146.20444 1203.91769
FREEZING PROCESS: loop number 6 T-loop= 1130.0000000000000
main_MD> interactions number 6 at Temperature= 1130.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55903 0.64630 0.75219
force_rgl> df(natom) 3.22293 0.47250 -1.02398
1255.0000 -156.11233 -145.74813 10.36420 3.20092 -144.84712 1243.33162
1260.0000 -158.64790 -148.03929 10.60861 3.05067 -147.32554 1154.46141
1265.0000 -158.96944 -149.64438 9.32506 2.97199 -148.62360 1084.23603
1270.0000 -159.89014 -150.73756 9.15258 2.84145 -150.77687 1053.98201
1275.0000 -157.20398 -147.91006 9.29393 2.91532 -149.55845 1123.08542
1280.0000 -158.31908 -147.41059 10.90849 3.02422 -147.76200 1178.08818
1285.0000 -156.42925 -147.93546 8.49379 2.97402 -148.59008 1061.48833
1290.0000 -159.32034 -149.03082 10.28953 2.99936 -148.17209 1132.86728
1295.0000 -159.62738 -149.02859 10.59879 3.00061 -148.15137 1128.43980
1300.0000 -160.02358 -150.49220 9.53138 2.94748 -149.02794 1097.94673
1305.0000 -158.21487 -148.85940 9.35547 3.00806 -148.02849 1173.17958
1310.0000 -156.67601 -147.40088 9.27513 2.98297 -148.44248 1122.89558
1315.0000 -157.84207 -147.96205 9.88002 3.01468 -147.91925 1166.58902
1320.0000 -157.48917 -148.12580 9.36337 3.03204 -147.63300 1165.29623
1325.0000 -156.67165 -146.06891 10.60274 3.05202 -147.30331 1143.06127
1330.0000 -158.69968 -149.34921 9.35047 3.02415 -147.76308 1152.26373
1335.0000 -159.71580 -149.03945 10.67635 2.95395 -148.92107 1108.31311
1340.0000 -158.13321 -147.57378 10.55942 3.00036 -148.15560 1156.57138
1345.0000 -160.10727 -150.09034 10.01693 2.94835 -149.01344 1102.98642
1350.0000 -158.64545 -147.78595 10.85950 2.94905 -149.00200 1107.99657
1355.0000 -158.71100 -148.80325 9.90775 3.01251 -147.95516 1151.82640
1360.0000 -157.58795 -149.15419 8.43376 2.98893 -148.34413 1152.71012
1365.0000 -158.41600 -149.92076 8.49525 2.94861 -149.00923 1055.82668
1370.0000 -158.70531 -150.26418 8.44113 2.91831 -149.50907 1094.40258
1375.0000 -157.91632 -149.50114 8.41518 2.92012 -149.47924 1087.35802
1380.0000 -159.68200 -151.01796 8.66405 2.85037 -150.62980 1044.90129
1385.0000 -160.01816 -151.53528 8.48288 2.82195 -151.09870 1031.68329
1390.0000 -160.11780 -150.07091 10.04689 2.86081 -150.45766 1044.45691
1395.0000 -158.22220 -148.68758 9.53462 2.92488 -149.40075 1083.78408
1400.0000 -157.42629 -148.68205 8.74424 2.93031 -149.31108 1056.69992
1405.0000 -159.75784 -150.25835 9.49949 2.98220 -148.45505 1122.12846
1410.0000 -159.54710 -150.04134 9.50576 2.89550 -149.88532 1111.91603
1415.0000 -159.80739 -152.19659 7.61080 2.81145 -151.27180 977.36092
1420.0000 -158.52177 -149.78141 8.74036 2.89220 -149.93980 1030.05574
1425.0000 -157.83325 -148.05589 9.77736 2.99164 -148.29947 1098.31099
1430.0000 -159.76949 -148.78412 10.98537 3.01030 -147.99165 1162.73913
1435.0000 -159.62058 -150.06486 9.55572 2.93982 -149.15418 1097.63650
1440.0000 -159.45197 -151.53747 7.91449 2.81968 -151.13610 1017.04978
1445.0000 -158.52143 -148.50898 10.01245 2.89121 -149.95606 1069.27905
1450.0000 -158.70972 -147.79480 10.91492 2.96304 -148.77123 1103.23678
1455.0000 -159.10295 -148.54335 10.55960 2.98871 -148.34772 1165.05138
1460.0000 -155.56735 -146.93171 8.63565 3.06912 -147.02120 1180.89631
1465.0000 -158.21601 -149.19432 9.02169 3.02773 -147.70408 1165.12405
1470.0000 -159.74442 -148.48243 11.26199 3.01675 -147.88509 1188.85364
1475.0000 -154.48930 -144.45138 10.03791 3.09551 -146.58593 1227.04581
1480.0000 -156.77929 -146.69778 10.08151 3.18199 -145.15941 1262.67709
1485.0000 -160.58001 -150.51436 10.06565 2.90789 -149.68101 1090.85330
1490.0000 -159.43636 -149.65736 9.77900 2.84024 -150.79689 1029.23376
1495.0000 -158.78827 -149.45348 9.33480 2.97464 -148.57987 1106.62801
1500.0000 -159.76843 -151.14102 8.62741 2.85100 -150.61946 1033.53881
FREEZING PROCESS: loop number 7 T-loop= 1105.0000000000000
main_MD> interactions number 7 at Temperature= 1105.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.50412 1.38650 2.44190
force_rgl> df(natom) -0.89963 -2.11463 0.94491
1505.0000 -159.49675 -151.14954 8.34721 2.88574 -150.04636 1047.59389
1510.0000 -159.49713 -151.63082 7.86632 2.81412 -151.22781 1016.83035
1515.0000 -158.48100 -149.49661 8.98440 2.90282 -149.76459 1057.97604
1520.0000 -158.18764 -146.56367 11.62397 2.98201 -148.45823 1137.22382
1525.0000 -158.50699 -147.41678 11.09021 3.10527 -146.42489 1196.09472
1530.0000 -157.27929 -146.98514 10.29415 2.99689 -148.21283 1138.99233
1535.0000 -156.66021 -146.30266 10.35755 3.13491 -145.93598 1202.50885
1540.0000 -157.05092 -148.05714 8.99377 3.01923 -147.84434 1108.08289
1545.0000 -157.85577 -147.30836 10.54741 3.01220 -147.96030 1131.40911
1550.0000 -157.71977 -147.68892 10.03085 3.07764 -146.88069 1186.60596
1555.0000 -159.31090 -150.55985 8.75105 2.93286 -149.26907 1088.18760
1560.0000 -159.65150 -150.44038 9.21112 2.82259 -151.08804 1036.51353
1565.0000 -159.48811 -149.68311 9.80500 2.88381 -150.07812 1076.52514
1570.0000 -159.80121 -150.13060 9.67061 2.95726 -148.86650 1089.33361
1575.0000 -154.99886 -147.19144 7.80742 2.97956 -148.49873 1128.03083
1580.0000 -157.99829 -147.44329 10.55500 3.01653 -147.88877 1093.63759
1585.0000 -158.33658 -148.47564 9.86094 2.97986 -148.49369 1108.93633
1590.0000 -158.56732 -149.15933 9.40799 2.90839 -149.67272 1066.56613
1595.0000 -156.80122 -147.28621 9.51502 2.99013 -148.32437 1138.20468
1600.0000 -158.74514 -148.50055 10.24459 3.03436 -147.59462 1189.05779
1605.0000 -156.16038 -145.85003 10.31035 3.00218 -148.12550 1132.37528
1610.0000 -158.32085 -148.67005 9.65079 3.05669 -147.22624 1156.32848
1615.0000 -158.60905 -150.70706 7.90199 2.93073 -149.30414 1043.83415
1620.0000 -157.02763 -148.45345 8.57418 2.92533 -149.39332 1081.23090
1625.0000 -155.63037 -144.77793 10.85244 3.10438 -146.43964 1157.40445
1630.0000 -155.48313 -146.15260 9.33054 3.17289 -145.30952 1258.38060
1635.0000 -158.41149 -147.54480 10.86668 3.05185 -147.30621 1150.82070
1640.0000 -157.88071 -148.07705 9.80366 2.98400 -148.42542 1136.38699
1645.0000 -157.79182 -148.33780 9.45401 3.04832 -147.36432 1171.29032
1650.0000 -158.88058 -149.63351 9.24707 2.93485 -149.23629 1107.38786
1655.0000 -158.91107 -150.20709 8.70398 2.92662 -149.37196 1110.96931
1660.0000 -159.74745 -150.69929 9.04816 2.86876 -150.32643 1066.88583
1665.0000 -157.13701 -146.95721 10.17981 3.00580 -148.06588 1148.76637
1670.0000 -160.24985 -149.06546 11.18439 3.06222 -147.13502 1186.32713
1675.0000 -159.54348 -151.61559 7.92788 2.85719 -150.51728 1032.61826
1680.0000 -161.18232 -151.62818 9.55414 2.83172 -150.93751 1019.16265
1685.0000 -160.40036 -151.37337 9.02699 2.82868 -150.98762 1023.25336
1690.0000 -159.60292 -150.95181 8.65111 2.83274 -150.92062 1028.82726
1695.0000 -158.88190 -150.73954 8.14236 2.82685 -151.01784 1012.12190
1700.0000 -159.17872 -149.06064 10.11808 2.83484 -150.88594 1040.06648
1705.0000 -159.52653 -149.34837 10.17816 2.92346 -149.42403 1087.43052
1710.0000 -155.94022 -145.39345 10.54677 3.04534 -147.41355 1137.13368
1715.0000 -157.52220 -148.02180 9.50040 3.05841 -147.19794 1210.10470
1720.0000 -157.38588 -148.25042 9.13546 3.00584 -148.06506 1139.23749
1725.0000 -157.89268 -148.16568 9.72700 3.00436 -148.08950 1122.36477
1730.0000 -154.69423 -143.87210 10.82212 3.08865 -146.69905 1216.36889
1735.0000 -159.36473 -149.29050 10.07423 3.03042 -147.65963 1186.23998
1740.0000 -160.78214 -150.11340 10.66874 2.90482 -149.73158 1087.13080
1745.0000 -158.58829 -149.06634 9.52195 2.85358 -150.57680 1046.79264
1750.0000 -159.29883 -148.87831 10.42051 2.91498 -149.56404 1073.74080
FREEZING PROCESS: loop number 8 T-loop= 1080.0000000000000
main_MD> interactions number 8 at Temperature= 1080.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33768 0.05051 -0.01653
force_rgl> df(natom) 2.27059 -0.20831 -1.12749
1755.0000 -162.21872 -153.10935 9.10937 2.84807 -150.66780 1008.13994
1760.0000 -159.78891 -149.86087 9.92804 2.75190 -152.25411 970.09265
1765.0000 -160.06493 -150.61922 9.44571 2.77547 -151.86531 978.42313
1770.0000 -159.20289 -150.52300 8.67989 2.85852 -150.49529 1032.67971
1775.0000 -158.84010 -148.15400 10.68610 2.93537 -149.22755 1054.29958
1780.0000 -158.71751 -149.91443 8.80308 2.94058 -149.14162 1103.63097
1785.0000 -159.14643 -150.03711 9.10932 2.86638 -150.36563 1029.99534
1790.0000 -159.57872 -148.77600 10.80271 2.95779 -148.85779 1107.01290
1795.0000 -158.35060 -148.40306 9.94753 2.94418 -149.08232 1129.81669
1800.0000 -158.66842 -149.78602 8.88240 2.91202 -149.61281 1048.17763
1805.0000 -158.59744 -148.00706 10.59038 3.03061 -147.65656 1140.12738
1810.0000 -160.31166 -150.39121 9.92044 2.94350 -149.09348 1061.98476
1815.0000 -157.76255 -148.44763 9.31492 2.89488 -149.89558 1012.02313
1820.0000 -155.65682 -146.55153 9.10529 3.02495 -147.74992 1136.29400
1825.0000 -157.54524 -147.74939 9.79585 3.03988 -147.50359 1130.04440
1830.0000 -156.09420 -146.04045 10.05375 3.03111 -147.64836 1159.93988
1835.0000 -158.17987 -149.15588 9.02398 2.98566 -148.39806 1122.94323
1840.0000 -160.02980 -149.99326 10.03654 2.91543 -149.55654 1082.40135
1845.0000 -160.78823 -152.50299 8.28524 2.88893 -149.99374 1046.66882
1850.0000 -160.38090 -151.42482 8.95608 2.81039 -151.28940 1001.48089
1855.0000 -157.71748 -149.36529 8.35219 2.87940 -150.15086 1060.94266
1860.0000 -160.45879 -151.74183 8.71696 2.91626 -149.54287 1098.12545
1865.0000 -159.89661 -149.97916 9.91745 2.89272 -149.93113 1066.60679
1870.0000 -159.00385 -150.52606 8.47779 2.83590 -150.86850 1021.98514
1875.0000 -157.98146 -149.54318 8.43828 2.87449 -150.23199 1043.14933
1880.0000 -159.21769 -150.49275 8.72494 2.85434 -150.56436 1018.16085
1885.0000 -159.22900 -149.61611 9.61290 2.88476 -150.06243 1044.85836
1890.0000 -159.61327 -150.51939 9.09389 2.89533 -149.88812 1045.01651
1895.0000 -159.86176 -150.04845 9.81330 2.85614 -150.53455 1030.16187
1900.0000 -157.82849 -148.52404 9.30445 2.93884 -149.17040 1093.11336
1905.0000 -157.94060 -148.55146 9.38914 2.94405 -149.08436 1110.14801
1910.0000 -158.36652 -148.33372 10.03280 2.99503 -148.24353 1088.01816
1915.0000 -158.99822 -148.79909 10.19913 2.98833 -148.35393 1117.42380
1920.0000 -157.76610 -148.23928 9.52682 2.97239 -148.61698 1134.61412
1925.0000 -159.78612 -150.57374 9.21238 2.91148 -149.62170 1074.03890
1930.0000 -160.59236 -152.28540 8.30696 2.84400 -150.73491 1051.98297
1935.0000 -160.80733 -150.96136 9.84597 2.82286 -151.08358 998.13782
1940.0000 -160.42376 -151.43307 8.99069 2.79623 -151.52286 988.46936
1945.0000 -159.45973 -150.23580 9.22393 2.87287 -150.25863 1050.79665
1950.0000 -159.41547 -150.44620 8.96927 2.90403 -149.74460 1054.79435
1955.0000 -158.10642 -148.17586 9.93056 2.88585 -150.04450 1031.17494
1960.0000 -157.94074 -149.07339 8.86735 2.97614 -148.55504 1084.91179
1965.0000 -160.50364 -150.96270 9.54094 2.90053 -149.80235 1076.37279
1970.0000 -160.20112 -151.40137 8.79975 2.82781 -151.00199 1001.97599
1975.0000 -160.09203 -149.30522 10.78682 2.86652 -150.36343 1042.53384
1980.0000 -159.76066 -151.49199 8.26868 2.85227 -150.59844 1054.53776
1985.0000 -159.58299 -151.97329 7.60971 2.81222 -151.25916 1003.99075
1990.0000 -158.71633 -150.69770 8.01863 2.86014 -150.46857 1072.98920
1995.0000 -158.33437 -147.17390 11.16048 2.96687 -148.70801 1114.42144
2000.0000 -159.56535 -149.46523 10.10012 3.01275 -147.95118 1172.42303
FREEZING PROCESS: loop number 9 T-loop= 1055.0000000000000
main_MD> interactions number 9 at Temperature= 1055.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20722 3.03321 -1.63747
force_rgl> df(natom) -4.75113 0.95844 2.82194
2005.0000 -158.47044 -150.30488 8.16556 2.85314 -150.58403 1056.06936
2010.0000 -158.34843 -149.49404 8.85439 2.91190 -149.61477 1063.46531
2015.0000 -161.15480 -151.25184 9.90296 2.88125 -150.12042 1068.46010
2020.0000 -159.91524 -150.33890 9.57634 2.88857 -149.99967 1065.31388
2025.0000 -159.01543 -148.89682 10.11861 2.87091 -150.29105 1057.71075
2030.0000 -156.98064 -146.99718 9.98346 3.04943 -147.34602 1184.72403
2035.0000 -158.43230 -147.55230 10.88000 3.02502 -147.74876 1138.47613
2040.0000 -158.41768 -149.38693 9.03075 2.99872 -148.18265 1115.30870
2045.0000 -159.49734 -149.62202 9.87532 2.89085 -149.96207 1077.78846
2050.0000 -158.96607 -149.52896 9.43711 2.91026 -149.64191 1062.25211
2055.0000 -160.27931 -151.60885 8.67046 2.90569 -149.71720 1104.65584
2060.0000 -160.14594 -149.58848 10.55746 2.83759 -150.84057 1041.25588
2065.0000 -158.69066 -150.50779 8.18287 2.89914 -149.82528 1089.07349
2070.0000 -160.34075 -151.93136 8.40938 2.79768 -151.49902 985.55673
2075.0000 -160.64765 -152.89485 7.75280 2.73344 -152.55866 978.71512
2080.0000 -160.61202 -151.47340 9.13862 2.75347 -152.22835 959.68791
2085.0000 -160.10413 -152.51556 7.58857 2.79400 -151.55973 991.83528
2090.0000 -160.90942 -151.40482 9.50460 2.75383 -152.22234 1002.79048
2095.0000 -160.18851 -152.91787 7.27064 2.72915 -152.62954 923.11901
2100.0000 -160.53880 -152.75685 7.78195 2.80124 -151.44021 996.90907
2105.0000 -162.72117 -154.45350 8.26767 2.66171 -153.74193 914.29751
2110.0000 -160.53262 -151.88306 8.64956 2.65425 -153.86506 897.88638
2115.0000 -160.08958 -150.19004 9.89954 2.82572 -151.03645 1049.78987
2120.0000 -159.41790 -149.18716 10.23073 2.92534 -149.39305 1051.83492
2125.0000 -159.79004 -152.03632 7.75372 2.78096 -151.77474 954.45682
2130.0000 -159.61808 -151.73763 7.88044 2.74740 -152.32838 956.60262
2135.0000 -159.04743 -149.46535 9.58208 2.81048 -151.28791 1010.89306
2140.0000 -158.98150 -150.33916 8.64234 2.95895 -148.83866 1110.98291
2145.0000 -161.31363 -151.56536 9.74826 2.84099 -150.78447 1061.67396
2150.0000 -160.06848 -150.44943 9.61904 2.82486 -151.05069 1037.58542
2155.0000 -158.33690 -149.59563 8.74128 2.83100 -150.94933 1040.61317
2160.0000 -159.20264 -149.91697 9.28567 2.88732 -150.02025 1069.51115
2165.0000 -157.80654 -149.43110 8.37544 2.85313 -150.58420 1025.48848
2170.0000 -158.27903 -148.57036 9.70868 2.98175 -148.46255 1144.45779
2175.0000 -160.92621 -151.24556 9.68065 2.87212 -150.27103 1062.96309
2180.0000 -159.30628 -150.97289 8.33338 2.82860 -150.98898 1002.48055
2185.0000 -159.67894 -151.56613 8.11281 2.78473 -151.71261 1007.30164
2190.0000 -161.11990 -152.19599 8.92391 2.75332 -152.23067 955.31713
2195.0000 -159.35675 -152.39743 6.95932 2.74901 -152.30188 941.87713
2200.0000 -161.83586 -151.58429 10.25157 2.76127 -152.09968 969.75649
2205.0000 -159.20958 -148.91126 10.29832 2.83283 -150.91912 1016.50409
2210.0000 -157.58981 -147.52362 10.06619 3.01764 -147.87052 1133.62881
2215.0000 -158.37762 -147.26253 11.11510 3.07889 -146.86015 1176.97419
2220.0000 -158.15408 -148.53040 9.62368 3.02232 -147.79336 1159.38674
2225.0000 -156.66228 -147.38502 9.27726 2.99306 -148.27591 1124.63364
2230.0000 -158.69677 -147.87889 10.81788 3.02633 -147.72709 1144.56426
2235.0000 -158.22589 -148.92363 9.30226 2.97610 -148.55569 1119.15330
2240.0000 -160.11068 -151.80742 8.30326 2.79804 -151.49312 982.63323
2245.0000 -160.66813 -152.81193 7.85620 2.75022 -152.28195 973.75830
2250.0000 -159.85050 -151.39532 8.45517 2.70485 -153.03028 923.50605
FREEZING PROCESS: loop number 10 T-loop= 1030.0000000000000
main_MD> interactions number 10 at Temperature= 1030.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02141 2.16773 -0.45946
force_rgl> df(natom) -1.98496 -0.91305 -7.33473
2255.0000 -158.98332 -150.29807 8.68525 2.78517 -151.70542 954.47432
2260.0000 -160.98239 -152.56992 8.41247 2.81013 -151.29360 1010.32827
2265.0000 -160.06646 -150.44296 9.62350 2.75660 -152.17659 981.23141
2270.0000 -159.01694 -149.65903 9.35791 2.89911 -149.82571 1047.99850
2275.0000 -156.79463 -149.69485 7.09978 2.95681 -148.87396 1097.00737
2280.0000 -158.72648 -150.26166 8.46482 2.89080 -149.96282 1030.98193
2285.0000 -159.08291 -149.98772 9.09518 2.86583 -150.37481 1049.88509
2290.0000 -159.66274 -150.71713 8.94561 2.83694 -150.85135 1010.78872
2295.0000 -160.19251 -151.42827 8.76424 2.77377 -151.89342 976.71278
2300.0000 -158.42860 -148.27561 10.15299 2.92175 -149.45223 1094.61934
2305.0000 -161.95247 -153.24565 8.70682 2.85830 -150.49901 1036.64639
2310.0000 -160.11355 -151.06109 9.05247 2.83584 -150.86945 1055.27391
2315.0000 -161.66761 -152.16801 9.49960 2.77383 -151.89241 1001.46656
2320.0000 -162.83978 -153.17141 9.66836 2.71333 -152.89044 930.18899
2325.0000 -158.99578 -150.34358 8.65219 2.77851 -151.81528 981.82475
2330.0000 -158.53733 -149.89150 8.64584 2.89783 -149.84697 1044.88289
2335.0000 -159.16902 -150.75123 8.41779 2.84478 -150.72202 1007.89009
2340.0000 -161.07307 -152.68782 8.38525 2.76438 -152.04832 986.03532
2345.0000 -160.23001 -152.52812 7.70189 2.75538 -152.19680 978.56980
2350.0000 -160.77619 -151.57876 9.19744 2.79540 -151.53655 992.71996
2355.0000 -159.31878 -151.39419 7.92459 2.74490 -152.36965 980.69930
2360.0000 -158.24971 -148.74653 9.50318 2.80936 -151.30632 989.91662
2365.0000 -159.62802 -150.06486 9.56316 2.92998 -149.31656 1088.46741
2370.0000 -159.22964 -151.50202 7.72762 2.78645 -151.68427 975.42560
2375.0000 -158.91509 -149.32005 9.59504 2.86296 -150.42209 1036.38973
2380.0000 -159.66203 -150.56753 9.09449 2.95781 -148.85742 1099.67887
2385.0000 -156.84821 -148.72403 8.12418 2.91142 -149.62279 1043.45560
2390.0000 -158.89063 -149.94375 8.94688 2.93592 -149.21859 1084.71245
2395.0000 -157.61858 -148.16012 9.45847 2.93141 -149.29298 1080.98338
2400.0000 -158.24069 -150.56354 7.67715 2.95029 -148.98149 1103.35913
2405.0000 -160.97365 -152.71488 8.25877 2.81862 -151.15353 996.96765
2410.0000 -161.28656 -152.76913 8.51744 2.67674 -153.49408 960.86336
2415.0000 -160.76631 -151.74104 9.02527 2.70171 -153.08207 927.72537
2420.0000 -162.04407 -153.38181 8.66226 2.71512 -152.86089 932.14672
2425.0000 -159.70432 -151.73094 7.97338 2.74294 -152.40201 967.69407
2430.0000 -160.67926 -152.54412 8.13515 2.85143 -150.61227 1049.53391
2435.0000 -159.48817 -151.06704 8.42113 2.77746 -151.83249 977.09521
2440.0000 -159.06574 -149.80924 9.25650 2.84492 -150.71971 1031.37963
2445.0000 -158.50475 -149.89494 8.60982 2.88051 -150.13259 1023.68062
2450.0000 -159.28452 -149.76324 9.52128 2.95317 -148.93396 1052.89025
2455.0000 -160.61583 -151.16536 9.45046 2.86794 -150.34001 1054.45828
2460.0000 -161.22012 -151.89916 9.32095 2.77784 -151.82628 1001.86100
2465.0000 -160.98758 -152.42729 8.56029 2.73863 -152.47301 954.80129
2470.0000 -161.34275 -153.98997 7.35278 2.64594 -154.00214 892.57155
2475.0000 -159.56654 -150.95890 8.60763 2.74729 -152.33024 976.38992
2480.0000 -159.03254 -150.31892 8.71363 2.85565 -150.54271 1009.65780
2485.0000 -161.20092 -152.97084 8.23009 2.80182 -151.43075 1006.03542
2490.0000 -162.15096 -154.00269 8.14828 2.72503 -152.69741 954.51016
2495.0000 -159.52764 -151.43119 8.09645 2.75267 -152.24153 983.02621
2500.0000 -159.02068 -149.90723 9.11345 2.85407 -150.56881 1052.53779
FREEZING PROCESS: loop number 11 T-loop= 1005.0000000000000
main_MD> interactions number 11 at Temperature= 1005.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.70500 8.01098 -0.33514
force_rgl> df(natom) -0.40059 6.11652 -3.63222
2505.0000 -158.63483 -150.33840 8.29644 2.93812 -149.18219 1119.48722
2510.0000 -159.84402 -151.36815 8.47587 2.78407 -151.72348 994.83503
2515.0000 -159.48365 -149.69211 9.79155 2.88804 -150.00841 1052.95224
2520.0000 -158.52902 -149.34230 9.18673 2.91539 -149.55715 1051.44903
2525.0000 -158.19068 -149.54744 8.64324 2.90859 -149.66945 1045.33138
2530.0000 -160.58314 -151.54540 9.03773 2.87168 -150.27825 1027.98350
2535.0000 -161.31153 -152.12492 9.18661 2.75822 -152.14989 967.89543
2540.0000 -160.37078 -150.38821 9.98257 2.84245 -150.76040 1024.37581
2545.0000 -161.87781 -153.46301 8.41480 2.72383 -152.71720 940.31932
2550.0000 -161.23338 -152.04782 9.18557 2.74894 -152.30302 961.09391
2555.0000 -157.89362 -150.03889 7.85473 2.83814 -150.83161 1017.95230
2560.0000 -158.43615 -149.79309 8.64306 2.91370 -149.58513 1058.71818
2565.0000 -160.19459 -150.42536 9.76922 2.89945 -149.82016 1095.62345
2570.0000 -159.08603 -150.43649 8.64954 2.85101 -150.61919 1042.08102
2575.0000 -159.62791 -150.47649 9.15142 2.82368 -151.07010 1041.50712
2580.0000 -157.98904 -149.88801 8.10103 2.87061 -150.29593 1036.35589
2585.0000 -158.32369 -150.09245 8.23124 2.85608 -150.53565 1047.49641
2590.0000 -158.31754 -149.70927 8.60826 2.87018 -150.30296 1071.50303
2595.0000 -159.71033 -151.11514 8.59519 2.93427 -149.24570 1064.58697
2600.0000 -160.19208 -151.85056 8.34152 2.76137 -152.09796 974.16119
2605.0000 -161.04963 -153.39497 7.65466 2.72064 -152.76983 906.62305
2610.0000 -157.26893 -148.39955 8.86938 2.78710 -151.67352 970.31164
2615.0000 -159.72979 -151.49129 8.23850 2.91418 -149.57719 1044.18382
2620.0000 -161.10740 -151.65066 9.45674 2.81777 -151.16750 1006.82370
2625.0000 -158.64215 -150.75266 7.88949 2.90673 -149.70012 1092.11647
2630.0000 -160.49713 -152.87904 7.61808 2.76120 -152.10072 950.09703
2635.0000 -158.36351 -149.82577 8.53774 2.82576 -151.03573 990.13019
2640.0000 -157.84313 -147.33143 10.51170 2.88572 -150.04670 1040.27591
2645.0000 -157.44238 -148.79074 8.65164 3.01478 -147.91771 1173.24691
2650.0000 -157.26531 -148.20186 9.06345 2.95182 -148.95634 1082.34664
2655.0000 -160.74681 -151.23282 9.51399 2.96071 -148.80968 1110.95576
2660.0000 -160.09834 -150.60238 9.49596 2.85677 -150.52418 1028.95798
2665.0000 -159.99346 -151.83505 8.15841 2.81726 -151.17605 1019.35175
2670.0000 -159.05668 -150.21553 8.84115 2.87321 -150.25295 1024.47829
2675.0000 -159.71981 -150.74257 8.97724 2.83790 -150.83545 1038.49835
2680.0000 -162.08141 -152.42067 9.66074 2.79495 -151.54405 1006.88271
2685.0000 -159.94088 -151.65420 8.28668 2.76016 -152.11798 946.93997
2690.0000 -161.74222 -152.74926 8.99297 2.74273 -152.40546 966.20049
2695.0000 -160.40096 -152.09933 8.30163 2.76797 -151.98904 985.63846
2700.0000 -158.70436 -151.43677 7.26759 2.78970 -151.63068 974.02456
2705.0000 -158.08422 -149.70419 8.38004 2.82768 -151.00413 995.09062
2710.0000 -160.79439 -151.95348 8.84091 2.76628 -152.01700 982.17233
2715.0000 -158.36062 -150.74787 7.61275 2.79887 -151.47942 1004.15081
2720.0000 -163.30851 -153.20893 10.09959 2.74695 -152.33587 980.80438
2725.0000 -163.10638 -155.57667 7.52970 2.66075 -153.75780 907.96419
2730.0000 -162.56176 -153.61047 8.95129 2.58778 -154.96156 881.72958
2735.0000 -160.48946 -151.02286 9.46660 2.75591 -152.18806 996.50151
2740.0000 -161.54349 -151.63145 9.91204 2.83266 -150.92200 1026.07461
2745.0000 -159.49001 -150.35271 9.13730 2.86324 -150.41752 1032.26616
2750.0000 -159.62776 -149.31330 10.31446 2.92478 -149.40227 1106.55461
FREEZING PROCESS: loop number 12 T-loop= 980.00000000000000
main_MD> interactions number 12 at Temperature= 980.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.74688 2.08456 3.13231
force_rgl> df(natom) 0.17301 1.50452 1.98067
2755.0000 -160.08477 -152.06773 8.01704 2.81495 -151.21415 1030.05480
2760.0000 -161.13647 -152.45916 8.67731 2.75984 -152.12317 941.91728
2765.0000 -160.51498 -151.78219 8.73278 2.72199 -152.74765 941.17357
2770.0000 -160.02489 -150.66720 9.35769 2.84401 -150.73475 1015.85040
2775.0000 -159.92534 -151.43537 8.48997 2.82391 -151.06630 997.64747
2780.0000 -160.01215 -151.49829 8.51386 2.82826 -150.99452 1013.37047
2785.0000 -160.12561 -150.86672 9.25889 2.81354 -151.23729 1019.83437
2790.0000 -158.83038 -150.36182 8.46856 2.89850 -149.83582 1021.09179
2795.0000 -159.57765 -151.78078 7.79688 2.78379 -151.72819 979.04722
2800.0000 -159.84231 -149.87784 9.96447 2.83439 -150.89336 1019.68350
2805.0000 -161.26987 -152.02916 9.24071 2.86596 -150.37260 1085.72969
2810.0000 -161.61214 -152.30993 9.30221 2.74308 -152.39976 939.14390
2815.0000 -160.34533 -152.59813 7.74720 2.74845 -152.31110 955.08217
2820.0000 -160.16485 -148.61541 11.54944 2.88116 -150.12181 1045.96998
2825.0000 -156.49958 -148.95891 7.54068 3.01700 -147.88107 1193.20747
2830.0000 -158.81654 -149.89362 8.92292 2.93521 -149.23031 1087.73014
2835.0000 -162.21910 -152.93737 9.28173 2.77586 -151.85896 967.84327
2840.0000 -159.66017 -151.98614 7.67403 2.74411 -152.38274 957.04241
2845.0000 -159.80949 -150.69182 9.11766 2.85345 -150.57901 1017.39422
2850.0000 -159.74686 -151.95752 7.78934 2.75510 -152.20145 954.85713
2855.0000 -161.23912 -152.66081 8.57832 2.73888 -152.46902 970.22678
2860.0000 -161.54561 -152.69324 8.85237 2.76448 -152.04666 972.31317
2865.0000 -161.10750 -152.24465 8.86285 2.71664 -152.83577 945.94569
2870.0000 -160.31802 -152.50309 7.81493 2.73525 -152.52889 971.55407
2875.0000 -159.62105 -151.40431 8.21674 2.76263 -152.07712 971.42261
2880.0000 -160.42578 -152.57233 7.85346 2.76152 -152.09541 963.97916
2885.0000 -160.29547 -149.55989 10.73558 2.86725 -150.35140 996.85926
2890.0000 -158.83845 -151.04841 7.79003 2.89870 -149.83247 1050.97756
2895.0000 -159.89630 -151.92786 7.96843 2.80189 -151.42947 1017.01727
2900.0000 -158.95428 -150.37267 8.58161 2.87576 -150.21098 1055.76251
2905.0000 -160.41334 -150.26796 10.14537 2.89647 -149.86937 1073.88985
2910.0000 -157.31760 -149.10308 8.21452 2.88560 -150.04858 1069.29319
2915.0000 -159.68751 -151.42619 8.26133 2.87337 -150.25034 1028.61220
2920.0000 -159.76289 -151.40845 8.35444 2.80476 -151.38219 1007.95488
2925.0000 -162.51025 -152.64494 9.86531 2.70665 -153.00067 952.45637
2930.0000 -160.32088 -151.86173 8.45914 2.72567 -152.68694 979.10669
2935.0000 -160.70178 -153.14028 7.56150 2.79339 -151.56969 999.12587
2940.0000 -158.52538 -150.59105 7.93433 2.75324 -152.23214 963.68174
2945.0000 -159.73505 -149.91733 9.81772 2.89131 -149.95450 1063.59544
2950.0000 -160.80120 -152.79762 8.00358 2.79605 -151.52588 1020.27244
2955.0000 -160.04655 -151.85916 8.18739 2.76519 -152.03496 952.33146
2960.0000 -161.39975 -151.80251 9.59724 2.73146 -152.59139 942.69849
2965.0000 -162.26352 -154.39186 7.87165 2.73663 -152.50603 990.15674
2970.0000 -160.43121 -152.76684 7.66437 2.66058 -153.76056 891.62370
2975.0000 -160.31890 -151.00232 9.31658 2.71524 -152.85894 939.71832
2980.0000 -161.03914 -151.52372 9.51542 2.81694 -151.18130 1044.69306
2985.0000 -158.97856 -150.02913 8.94944 2.83094 -150.95040 1031.59663
2990.0000 -161.42101 -153.85301 7.56801 2.77750 -151.83196 981.76846
2995.0000 -160.50669 -152.15156 8.35513 2.73094 -152.59999 934.21359
3000.0000 -161.15141 -151.78735 9.36406 2.79243 -151.58560 1005.10674
FREEZING PROCESS: loop number 13 T-loop= 955.00000000000000
main_MD> interactions number 13 at Temperature= 955.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63483 0.05502 -2.69839
force_rgl> df(natom) -3.47588 4.69394 -4.51802
3005.0000 -162.81132 -155.09821 7.71310 2.68266 -153.39632 943.14265
3010.0000 -161.29803 -153.50739 7.79064 2.60628 -154.65628 880.21375
3015.0000 -160.94342 -153.07675 7.86667 2.69438 -153.20297 946.64223
3020.0000 -160.53740 -153.51212 7.02528 2.66219 -153.73397 896.12276
3025.0000 -159.60554 -150.97205 8.63349 2.67347 -153.54804 920.71767
3030.0000 -160.29297 -152.85709 7.43588 2.75977 -152.12441 957.54328
3035.0000 -159.68879 -152.38134 7.30745 2.73583 -152.51930 950.19387
3040.0000 -159.99502 -150.81546 9.17956 2.77857 -151.81422 946.07679
3045.0000 -160.76803 -150.68956 10.07847 2.82804 -150.99808 1026.89934
3050.0000 -160.45523 -152.39208 8.06315 2.74528 -152.36345 995.95339
3055.0000 -160.86099 -152.77604 8.08494 2.71596 -152.84705 934.35841
3060.0000 -159.38425 -151.18680 8.19745 2.72198 -152.74774 945.33655
3065.0000 -161.05455 -152.51203 8.54252 2.76494 -152.03900 980.32156
3070.0000 -161.26000 -152.64557 8.61443 2.70440 -153.03774 957.02065
3075.0000 -159.86427 -151.25947 8.60480 2.76808 -151.98726 982.52286
3080.0000 -159.62742 -151.54216 8.08526 2.75779 -152.15706 958.15356
3085.0000 -160.60705 -152.16599 8.44106 2.78335 -151.73535 958.41561
3090.0000 -160.75003 -152.77754 7.97249 2.69524 -153.18878 926.53941
3095.0000 -161.03089 -152.97451 8.05638 2.73505 -152.53208 948.31200
3100.0000 -160.34724 -152.52166 7.82558 2.74675 -152.33919 980.66985
3105.0000 -158.34823 -149.67107 8.67716 2.83207 -150.93170 1006.79588
3110.0000 -161.41788 -152.87179 8.54609 2.78395 -151.72544 965.03290
3115.0000 -158.24101 -149.73772 8.50329 2.82880 -150.98560 1044.73506
3120.0000 -160.64279 -151.66733 8.97547 2.83948 -150.80945 1026.70808
3125.0000 -162.19599 -154.13756 8.05843 2.68120 -153.42040 916.76804
3130.0000 -160.76679 -153.64890 7.11789 2.63490 -154.18423 888.22258
3135.0000 -160.03372 -149.21147 10.82225 2.82944 -150.97514 1020.30928
3140.0000 -159.17965 -149.73052 9.44913 2.87023 -150.30221 1041.32362
3145.0000 -160.99025 -153.80970 7.18056 2.82177 -151.10160 990.36637
3150.0000 -161.37551 -153.22082 8.15468 2.73261 -152.57245 954.61110
3155.0000 -161.92380 -153.56498 8.35883 2.73037 -152.60926 943.05821
3160.0000 -161.71697 -152.95463 8.76234 2.67086 -153.59102 929.68461
3165.0000 -162.08933 -154.09165 7.99768 2.67796 -153.47389 917.10043
3170.0000 -159.77917 -150.76405 9.01512 2.75155 -152.25994 966.64195
3175.0000 -160.42426 -151.27783 9.14643 2.78472 -151.71276 981.76165
3180.0000 -161.12469 -152.70582 8.41887 2.81435 -151.22402 1022.41719
3185.0000 -160.89825 -151.38843 9.50982 2.73667 -152.50538 950.53933
3190.0000 -160.57796 -151.65731 8.92065 2.87614 -150.20470 1031.32571
3195.0000 -163.41208 -154.82722 8.58485 2.65194 -153.90312 876.80887
3200.0000 -161.10456 -152.95034 8.15422 2.65195 -153.90305 915.23084
3205.0000 -161.59153 -153.35392 8.23761 2.71933 -152.79151 953.34976
3210.0000 -159.39107 -150.10736 9.28371 2.86155 -150.44532 1055.20385
3215.0000 -160.29767 -151.81835 8.47933 2.80591 -151.36318 1012.68305
3220.0000 -161.62288 -154.38346 7.23942 2.72386 -152.71681 945.62197
3225.0000 -159.67888 -152.24183 7.43705 2.69436 -153.20336 908.22185
3230.0000 -161.75520 -153.26917 8.48603 2.74204 -152.41688 974.96851
3235.0000 -161.13670 -153.26012 7.87658 2.73124 -152.59495 928.73649
3240.0000 -160.69662 -151.68206 9.01456 2.72184 -152.75007 937.81545
3245.0000 -161.51747 -151.89615 9.62132 2.77939 -151.80078 972.61111
3250.0000 -163.80934 -155.11584 8.69350 2.72161 -152.75385 958.93131
FREEZING PROCESS: loop number 14 T-loop= 930.00000000000000
main_MD> interactions number 14 at Temperature= 930.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30627 -1.64701 0.35577
force_rgl> df(natom) 4.83044 1.31289 2.99009
3255.0000 -161.48928 -154.40292 7.08636 2.58596 -154.99153 851.25266
3260.0000 -162.77273 -153.75237 9.02036 2.65162 -153.90844 896.84072
3265.0000 -162.54559 -152.90887 9.63671 2.61781 -154.46615 895.23176
3270.0000 -162.75839 -154.55626 8.20213 2.68232 -153.40202 918.21320
3275.0000 -162.22166 -154.89479 7.32687 2.61225 -154.55792 876.54300
3280.0000 -162.52505 -154.47407 8.05098 2.63281 -154.21877 899.00458
3285.0000 -161.65190 -154.96915 6.68276 2.59092 -154.90971 868.49415
3290.0000 -162.15418 -154.40855 7.74563 2.61466 -154.51810 880.25051
3295.0000 -159.74809 -152.76633 6.98176 2.66834 -153.63259 887.08832
3300.0000 -161.14856 -154.07667 7.07190 2.68130 -153.41879 893.30006
3305.0000 -162.39900 -153.29481 9.10419 2.62040 -154.42341 882.59605
3310.0000 -161.11242 -153.02098 8.09144 2.73604 -152.51586 925.90896
3315.0000 -160.64377 -151.27544 9.36833 2.73852 -152.47489 950.32959
3320.0000 -159.50526 -150.52634 8.97892 2.81435 -151.22405 995.91387
3325.0000 -160.24937 -151.71489 8.53449 2.84862 -150.65864 1048.32957
3330.0000 -159.88928 -151.24623 8.64305 2.81425 -151.22562 995.61853
3335.0000 -161.52560 -152.87934 8.64626 2.74770 -152.32348 964.58713
3340.0000 -161.79540 -153.26402 8.53138 2.64754 -153.97577 898.16551
3345.0000 -161.43100 -153.58350 7.84750 2.68860 -153.29843 909.16653
3350.0000 -161.23694 -153.75802 7.47891 2.68106 -153.42280 911.56605
3355.0000 -161.11044 -152.46998 8.64045 2.66313 -153.71856 897.77559
3360.0000 -161.25828 -153.71105 7.54723 2.71198 -152.91263 932.13393
3365.0000 -161.34184 -154.44266 6.89918 2.67625 -153.50210 932.46764
3370.0000 -160.30864 -152.76802 7.54062 2.66792 -153.63953 923.47843
3375.0000 -161.06485 -153.45463 7.61022 2.73905 -152.46622 946.34966
3380.0000 -161.56696 -154.49308 7.07387 2.60900 -154.61156 861.83893
3385.0000 -162.30289 -153.56464 8.73825 2.62964 -154.27098 900.61317
3390.0000 -160.12716 -152.95538 7.17178 2.66975 -153.60929 898.45594
3395.0000 -160.83372 -152.92774 7.90598 2.70129 -153.08905 954.90785
3400.0000 -163.14402 -155.22070 7.92332 2.58258 -155.04725 851.97145
3405.0000 -159.89770 -151.94892 7.94878 2.69657 -153.16692 897.52539
3410.0000 -161.79126 -152.44851 9.34275 2.74190 -152.41920 957.77303
3415.0000 -160.18443 -152.34478 7.83965 2.72626 -152.67722 953.61992
3420.0000 -162.32034 -154.00793 8.31241 2.74051 -152.44214 966.27998
3425.0000 -163.08247 -155.03347 8.04900 2.62121 -154.41015 872.26424
3430.0000 -162.18969 -154.24008 7.94962 2.62338 -154.37433 865.21170
3435.0000 -161.92152 -155.96721 5.95431 2.55792 -155.45419 833.77792
3440.0000 -161.67469 -154.25562 7.41907 2.58865 -154.94719 861.87574
3445.0000 -160.98436 -153.32985 7.65450 2.66653 -153.66243 910.59246
3450.0000 -159.24249 -151.63729 7.60520 2.71453 -152.87072 915.98519
3455.0000 -162.21968 -153.91791 8.30177 2.70036 -153.10441 932.41816
3460.0000 -160.44672 -152.89189 7.55483 2.64882 -153.95454 916.81213
3465.0000 -159.17206 -152.35892 6.81315 2.70452 -153.03571 943.19292
3470.0000 -160.44438 -150.94827 9.49611 2.83281 -150.91951 1041.28722
3475.0000 -161.52063 -152.92927 8.59135 2.78136 -151.76823 1001.02749
3480.0000 -162.33614 -154.13070 8.20543 2.69324 -153.22179 945.73787
3485.0000 -161.64076 -153.32908 8.31168 2.65708 -153.81836 885.05194
3490.0000 -161.33814 -153.67557 7.66258 2.67645 -153.49874 907.64053
3495.0000 -162.32202 -153.78505 8.53697 2.62464 -154.35344 880.07649
3500.0000 -162.88762 -153.98078 8.90685 2.67370 -153.54425 945.22192
FREEZING PROCESS: loop number 15 T-loop= 905.00000000000000
main_MD> interactions number 15 at Temperature= 905.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74696 -0.27840 1.79966
force_rgl> df(natom) 0.41007 2.31932 0.66561
3505.0000 -161.81984 -153.53252 8.28731 2.62307 -154.37938 875.97325
3510.0000 -160.57429 -153.46429 7.11000 2.67976 -153.44428 882.60942
3515.0000 -161.21240 -152.55874 8.65366 2.71398 -152.87970 888.59276
3520.0000 -162.07315 -153.41580 8.65735 2.70234 -153.07169 922.09107
3525.0000 -161.00112 -154.28120 6.71992 2.57793 -155.12396 826.02774
3530.0000 -161.04468 -153.00498 8.03970 2.62642 -154.32414 865.09568
3535.0000 -160.29847 -153.23700 7.06146 2.72822 -152.64486 951.72324
3540.0000 -162.95632 -154.63123 8.32509 2.67231 -153.56703 930.04162
3545.0000 -162.26075 -153.05546 9.20530 2.73478 -152.53653 997.04499
3550.0000 -161.71031 -153.76201 7.94830 2.66181 -153.74030 876.68632
3555.0000 -161.68563 -153.70323 7.98240 2.70625 -153.00731 944.42946
3560.0000 -160.81038 -152.59095 8.21943 2.72789 -152.65027 954.15312
3565.0000 -162.06805 -153.48932 8.57873 2.67804 -153.47263 921.14719
3570.0000 -162.02017 -154.01730 8.00288 2.65826 -153.79890 909.76191
3575.0000 -162.83270 -154.26299 8.56971 2.67065 -153.59446 924.25377
3580.0000 -162.40106 -154.69439 7.70666 2.55844 -155.44550 855.32696
3585.0000 -162.24793 -154.93720 7.31073 2.63336 -154.20966 891.10142
3590.0000 -162.57499 -155.29690 7.27809 2.56993 -155.25596 835.69530
3595.0000 -161.37574 -153.84021 7.53553 2.57270 -155.21026 848.50210
3600.0000 -162.34022 -154.84050 7.49972 2.62862 -154.28788 875.85010
3605.0000 -162.17020 -154.00769 8.16251 2.60137 -154.73742 855.42534
3610.0000 -161.19884 -152.60411 8.59473 2.70215 -153.07484 918.63114
3615.0000 -163.11744 -155.07685 8.04059 2.64460 -154.02425 890.64675
3620.0000 -163.40474 -155.73001 7.67473 2.54698 -155.63464 822.77384
3625.0000 -162.95452 -157.18021 5.77430 2.48303 -156.68953 786.98184
3630.0000 -163.00081 -154.97127 8.02953 2.50323 -156.35623 795.00945
3635.0000 -163.22803 -155.24155 7.98648 2.53828 -155.77816 867.88401
3640.0000 -163.75548 -156.45581 7.29967 2.53802 -155.78243 825.27916
3645.0000 -160.87720 -153.29694 7.58026 2.68357 -153.38140 903.58031
3650.0000 -161.90211 -153.84240 8.05971 2.72493 -152.69906 956.36495
3655.0000 -162.09765 -153.42802 8.66963 2.67184 -153.57479 921.45267
3660.0000 -162.55565 -154.48983 8.06581 2.63543 -154.17543 932.07600
3665.0000 -161.59993 -154.20897 7.39096 2.62512 -154.34560 869.05480
3670.0000 -161.86286 -155.19641 6.66645 2.60474 -154.68182 869.04404
3675.0000 -161.77536 -154.80519 6.97018 2.57788 -155.12491 848.81083
3680.0000 -160.61938 -153.71031 6.90908 2.62763 -154.30416 866.79739
3685.0000 -162.07851 -154.24619 7.83231 2.62023 -154.42617 866.75994
3690.0000 -162.94632 -155.08740 7.85892 2.55792 -155.45403 826.56940
3695.0000 -161.75886 -151.99094 9.76791 2.70092 -153.09509 922.39601
3700.0000 -160.07812 -152.10121 7.97691 2.78715 -151.67266 985.49971
3705.0000 -162.68436 -154.25516 8.42919 2.64376 -154.03815 894.53774
3710.0000 -161.42411 -154.46706 6.95705 2.62890 -154.28313 905.99455
3715.0000 -163.30334 -155.84442 7.45892 2.57014 -155.25246 861.67171
3720.0000 -163.04144 -155.19712 7.84432 2.51947 -156.08832 819.74824
3725.0000 -162.06493 -154.92701 7.13792 2.58656 -154.98170 858.13201
3730.0000 -160.49338 -152.89329 7.60009 2.67107 -153.58757 914.21303
3735.0000 -160.76037 -152.92956 7.83081 2.67780 -153.47661 910.03427
3740.0000 -160.76297 -153.04189 7.72108 2.70888 -152.96392 914.15826
3745.0000 -162.28531 -154.91136 7.37395 2.70660 -153.00139 929.91216
3750.0000 -160.54160 -154.05398 6.48762 2.61137 -154.57245 834.03369
FREEZING PROCESS: loop number 16 T-loop= 880.00000000000000
main_MD> interactions number 16 at Temperature= 880.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22887 1.48605 0.17621
force_rgl> df(natom) 0.50046 1.16712 -2.80480
3755.0000 -161.06572 -153.19358 7.87214 2.66017 -153.76737 893.85979
3760.0000 -161.84002 -155.26904 6.57097 2.62838 -154.29187 887.03848
3765.0000 -162.49158 -155.22291 7.26867 2.59009 -154.92351 855.01985
3770.0000 -161.62363 -154.23284 7.39079 2.62389 -154.36592 882.71402
3775.0000 -162.33195 -155.45798 6.87398 2.59670 -154.81443 843.42802
3780.0000 -164.44287 -157.30242 7.14046 2.49136 -156.55209 832.26510
3785.0000 -162.96530 -155.37289 7.59241 2.55036 -155.57886 839.18640
3790.0000 -162.57172 -156.49694 6.07478 2.55572 -155.49042 822.21025
3795.0000 -163.56118 -154.44857 9.11262 2.57617 -155.15298 864.93158
3800.0000 -161.76837 -153.94039 7.82798 2.67743 -153.48262 935.06460
3805.0000 -161.53161 -153.53253 7.99908 2.63316 -154.21290 890.96239
3810.0000 -162.53311 -154.84742 7.68569 2.58652 -154.98224 863.81544
3815.0000 -163.03902 -154.86330 8.17572 2.57790 -155.12454 870.24876
3820.0000 -162.26382 -155.59711 6.66671 2.57527 -155.16784 845.20689
3825.0000 -160.59314 -153.31011 7.28304 2.56266 -155.37584 836.11117
3830.0000 -162.12480 -154.10541 8.01939 2.61676 -154.48343 895.63797
3835.0000 -160.98886 -153.23107 7.75778 2.73169 -152.58749 961.04004
3840.0000 -160.81817 -152.89998 7.91819 2.72507 -152.69681 918.34501
3845.0000 -160.72987 -151.85545 8.87442 2.78618 -151.68873 994.40038
3850.0000 -159.90789 -151.56049 8.34741 2.80348 -151.40332 1006.47959
3855.0000 -162.15668 -153.03262 9.12405 2.74501 -152.36784 964.13784
3860.0000 -161.45662 -152.92702 8.52960 2.73837 -152.47741 965.21854
3865.0000 -161.12039 -154.25493 6.86546 2.67411 -153.53743 879.23807
3870.0000 -160.24372 -153.10053 7.14320 2.71228 -152.90777 895.05767
3875.0000 -162.17763 -153.31270 8.86493 2.71540 -152.85636 947.41699
3880.0000 -160.73747 -151.78786 8.94961 2.71695 -152.83071 948.58719
3885.0000 -163.00339 -154.57517 8.42822 2.68458 -153.36463 946.67998
3890.0000 -161.33873 -154.55465 6.78408 2.60575 -154.66516 865.01242
3895.0000 -162.08838 -155.30903 6.77935 2.56074 -155.40758 778.24427
3900.0000 -161.83693 -154.53993 7.29700 2.56528 -155.33271 841.97584
3905.0000 -162.41814 -153.51843 8.89971 2.60816 -154.62535 866.63797
3910.0000 -162.91437 -155.09938 7.81498 2.60261 -154.71687 863.51702
3915.0000 -162.87730 -153.91241 8.96489 2.60482 -154.68041 870.61150
3920.0000 -159.77491 -152.41822 7.35669 2.70735 -152.98913 922.10195
3925.0000 -163.20187 -155.06225 8.13962 2.66773 -153.64260 927.01335
3930.0000 -161.99146 -154.72242 7.26904 2.55777 -155.45664 865.98642
3935.0000 -162.01333 -154.91419 7.09914 2.54799 -155.61793 843.07772
3940.0000 -161.47317 -153.54601 7.92716 2.64289 -154.05235 895.06777
3945.0000 -160.68390 -153.58229 7.10160 2.64668 -153.98994 898.01163
3950.0000 -160.29011 -152.92740 7.36271 2.68490 -153.35935 919.85468
3955.0000 -160.68719 -151.47186 9.21532 2.67987 -153.44233 896.71578
3960.0000 -162.57323 -154.77704 7.79619 2.69504 -153.19210 910.78390
3965.0000 -161.48648 -155.39776 6.08872 2.55550 -155.49395 829.35233
3970.0000 -160.97007 -154.87128 6.09880 2.60486 -154.67985 859.20003
3975.0000 -160.81212 -152.84531 7.96681 2.68704 -153.32407 918.06967
3980.0000 -162.83028 -155.16625 7.66403 2.67647 -153.49856 889.89152
3985.0000 -162.20450 -154.03068 8.17382 2.62196 -154.39775 881.70050
3990.0000 -161.51674 -153.90147 7.61527 2.60455 -154.68486 867.64021
3995.0000 -162.63146 -155.22067 7.41080 2.66955 -153.61259 900.49937
4000.0000 -161.94925 -154.09444 7.85481 2.55375 -155.52297 804.06297
FREEZING PROCESS: loop number 17 T-loop= 855.00000000000000
main_MD> interactions number 17 at Temperature= 855.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23541 -0.71407 1.47238
force_rgl> df(natom) -2.79253 -4.31852 -0.54234
4005.0000 -161.68144 -154.21045 7.47099 2.61045 -154.58757 895.81483
4010.0000 -162.94193 -154.71757 8.22436 2.61164 -154.56795 874.62884
4015.0000 -162.82674 -156.12080 6.70594 2.53319 -155.86200 827.91672
4020.0000 -162.33196 -156.52770 5.80426 2.43940 -157.40923 770.13962
4025.0000 -163.70272 -155.94194 7.76077 2.50004 -156.40898 822.26304
4030.0000 -162.68635 -156.12461 6.56173 2.54787 -155.61998 854.71431
4035.0000 -162.41534 -156.22390 6.19143 2.52038 -156.07342 789.48553
4040.0000 -162.99377 -154.86228 8.13149 2.56427 -155.34935 855.62023
4045.0000 -162.74351 -154.65504 8.08847 2.61387 -154.53119 909.65944
4050.0000 -161.58493 -154.04235 7.54258 2.62918 -154.27862 902.91577
4055.0000 -162.72791 -155.56930 7.15861 2.52400 -156.01364 796.14578
4060.0000 -163.64317 -155.18353 8.45964 2.53494 -155.83325 852.04916
4065.0000 -162.77565 -154.70432 8.07133 2.59912 -154.77454 857.91140
4070.0000 -161.49876 -153.93816 7.56060 2.69489 -153.19457 926.50715
4075.0000 -161.74768 -155.24426 6.50343 2.61886 -154.44890 871.01836
4080.0000 -161.74898 -154.03367 7.71531 2.55571 -155.49057 860.43745
4085.0000 -161.35773 -153.47319 7.88454 2.66747 -153.64702 905.79175
4090.0000 -161.65310 -154.15083 7.50227 2.67371 -153.54403 923.64754
4095.0000 -163.36681 -155.67483 7.69198 2.58086 -155.07567 836.99940
4100.0000 -162.94601 -155.78591 7.16010 2.52450 -156.00543 802.32350
4105.0000 -163.71167 -156.47677 7.23490 2.52340 -156.02359 797.33297
4110.0000 -162.36514 -154.14388 8.22125 2.55128 -155.56371 869.00287
4115.0000 -162.14892 -155.03014 7.11879 2.57813 -155.12074 881.06505
4120.0000 -163.12641 -155.84242 7.28398 2.56521 -155.33381 863.45970
4125.0000 -161.37440 -153.40802 7.96638 2.64342 -154.04369 869.77903
4130.0000 -160.13768 -152.48581 7.65187 2.71430 -152.87452 911.60034
4135.0000 -161.92612 -154.78938 7.13674 2.63791 -154.13462 890.02399
4140.0000 -162.99038 -156.39316 6.59721 2.56165 -155.39251 835.02857
4145.0000 -163.24618 -155.51287 7.73331 2.62881 -154.28468 885.01238
4150.0000 -163.46800 -156.03080 7.43720 2.50067 -156.39848 819.00777
4155.0000 -162.76034 -155.03238 7.72796 2.53891 -155.76764 861.67353
4160.0000 -162.67033 -155.76534 6.90499 2.59121 -154.90501 855.67397
4165.0000 -163.93736 -156.60856 7.32879 2.52654 -155.97178 812.96701
4170.0000 -163.16055 -155.93186 7.22869 2.49930 -156.42107 792.05654
4175.0000 -164.07393 -157.25995 6.81398 2.45508 -157.15058 769.47988
4180.0000 -160.82010 -152.66291 8.15719 2.59257 -154.88257 873.74884
4185.0000 -159.38512 -152.49302 6.89210 2.73756 -152.49078 957.39355
4190.0000 -163.45964 -156.81303 6.64660 2.59501 -154.84223 850.99509
4195.0000 -162.52787 -154.58536 7.94251 2.55680 -155.47255 870.09762
4200.0000 -162.30053 -155.05868 7.24185 2.56932 -155.26612 846.50962
4205.0000 -162.51669 -154.92619 7.59049 2.61057 -154.58556 872.90043
4210.0000 -162.70523 -154.76190 7.94333 2.60845 -154.62057 864.04997
4215.0000 -162.93311 -155.26756 7.66555 2.57862 -155.11271 863.27317
4220.0000 -162.69915 -155.94269 6.75647 2.55655 -155.47673 846.13759
4225.0000 -163.57121 -155.21320 8.35801 2.54463 -155.67336 829.41151
4230.0000 -163.76315 -157.35180 6.41135 2.47592 -156.80674 801.29795
4235.0000 -163.68489 -157.16105 6.52384 2.44203 -157.36592 762.96652
4240.0000 -162.98270 -154.73781 8.24489 2.59678 -154.81308 835.30827
4245.0000 -161.13976 -153.28413 7.85563 2.65873 -153.79112 897.65140
4250.0000 -161.35032 -153.43332 7.91700 2.71494 -152.86383 922.68587
FREEZING PROCESS: loop number 18 T-loop= 830.00000000000000
main_MD> interactions number 18 at Temperature= 830.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.89028 -1.92888 -1.90270
force_rgl> df(natom) 2.45266 0.40639 0.87249
4255.0000 -163.39611 -155.65227 7.74384 2.62393 -154.36526 885.90796
4260.0000 -162.47357 -154.92898 7.54459 2.56812 -155.28587 850.60908
4265.0000 -163.48193 -155.71157 7.77036 2.55827 -155.44836 833.36124
4270.0000 -162.08708 -154.72170 7.36538 2.58983 -154.92771 878.31073
4275.0000 -164.13122 -156.52411 7.60712 2.53387 -155.85082 819.57355
4280.0000 -163.45701 -155.58935 7.86766 2.46888 -156.92301 785.47736
4285.0000 -162.38863 -155.72821 6.66042 2.52207 -156.04549 812.00369
4290.0000 -162.21398 -155.79902 6.41496 2.54237 -155.71062 823.20305
4295.0000 -164.37924 -156.27477 8.10448 2.58380 -155.02726 850.42253
4300.0000 -162.16201 -154.37239 7.78962 2.56151 -155.39485 868.87122
4305.0000 -162.83223 -155.66932 7.16290 2.59533 -154.83706 868.18156
4310.0000 -164.74434 -156.78395 7.96039 2.48981 -156.57760 768.40971
4315.0000 -162.59440 -155.20487 7.38953 2.50873 -156.26563 842.85341
4320.0000 -161.79321 -155.05989 6.73332 2.61308 -154.54420 876.91584
4325.0000 -161.92869 -154.91037 7.01832 2.55787 -155.45493 813.50861
4330.0000 -161.58171 -153.79082 7.79089 2.60482 -154.68046 878.93672
4335.0000 -162.69907 -154.73666 7.96241 2.61771 -154.46773 885.85177
4340.0000 -161.76529 -154.33478 7.43050 2.61762 -154.46921 881.83940
4345.0000 -162.78723 -155.85139 6.93584 2.63951 -154.10822 903.88253
4350.0000 -163.23441 -155.51217 7.72225 2.55420 -155.51546 820.26640
4355.0000 -162.25000 -154.67781 7.57220 2.56589 -155.32257 828.25411
4360.0000 -162.20097 -155.13910 7.06187 2.57443 -155.18182 827.37345
4365.0000 -162.65490 -156.08456 6.57033 2.54976 -155.58867 836.48428
4370.0000 -163.87179 -156.10957 7.76222 2.47928 -156.75142 774.58006
4375.0000 -164.49544 -158.03619 6.45924 2.45577 -157.13920 797.54704
4380.0000 -163.55577 -157.51948 6.03630 2.44677 -157.28759 776.29679
4385.0000 -162.48927 -156.10295 6.38632 2.47032 -156.89910 783.98013
4390.0000 -162.68835 -156.24573 6.44261 2.47928 -156.75129 792.54670
4395.0000 -162.45626 -155.59796 6.85830 2.51557 -156.15280 818.06283
4400.0000 -162.98177 -156.13229 6.84949 2.54663 -155.64031 842.55920
4405.0000 -164.46820 -157.15133 7.31688 2.49066 -156.56358 771.92943
4410.0000 -163.66890 -158.14854 5.52037 2.43442 -157.49133 769.49433
4415.0000 -162.94414 -155.93988 7.00426 2.45926 -157.08167 763.61962
4420.0000 -162.39675 -155.71997 6.67678 2.48220 -156.70316 779.67103
4425.0000 -163.04447 -155.67415 7.37031 2.56454 -155.34485 850.73141
4430.0000 -163.16771 -156.30689 6.86082 2.51729 -156.12440 830.49344
4435.0000 -163.71170 -156.63228 7.07942 2.50114 -156.39068 808.37768
4440.0000 -163.85761 -156.99294 6.86468 2.44624 -157.29637 764.18018
4445.0000 -162.11079 -154.94348 7.16731 2.52280 -156.03344 778.92091
4450.0000 -163.11269 -154.94947 8.16322 2.57803 -155.12233 866.90134
4455.0000 -163.91426 -155.14359 8.77067 2.54665 -155.64009 821.62931
4460.0000 -162.73196 -155.27289 7.45908 2.56144 -155.39611 812.48009
4465.0000 -162.01723 -154.49933 7.51791 2.54023 -155.74585 790.19351
4470.0000 -161.88203 -155.28594 6.59608 2.64271 -154.05539 862.70642
4475.0000 -164.30265 -157.46696 6.83569 2.56053 -155.41101 832.39338
4480.0000 -163.71471 -157.43867 6.27603 2.45103 -157.21742 758.93807
4485.0000 -162.20688 -155.89386 6.31302 2.46243 -157.02931 776.14710
4490.0000 -162.88625 -156.05024 6.83601 2.50009 -156.40812 795.31428
4495.0000 -164.04076 -157.56214 6.47861 2.46396 -157.00407 751.02392
4500.0000 -162.14867 -154.83620 7.31247 2.51172 -156.21630 806.63554
FREEZING PROCESS: loop number 19 T-loop= 805.00000000000000
main_MD> interactions number 19 at Temperature= 805.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57756 5.69848 0.51133
force_rgl> df(natom) -1.16393 -0.16863 2.37947
4505.0000 -163.67683 -156.69621 6.98063 2.54575 -155.65486 841.79524
4510.0000 -163.46413 -156.22235 7.24179 2.58220 -155.05361 870.73503
4515.0000 -164.28618 -158.28322 6.00296 2.47403 -156.83795 793.86336
4520.0000 -164.33769 -157.41466 6.92303 2.42395 -157.66409 731.88515
4525.0000 -163.77459 -157.46280 6.31178 2.41802 -157.76187 731.00546
4530.0000 -163.87835 -157.30239 6.57596 2.45345 -157.17740 744.16288
4535.0000 -164.56997 -157.21258 7.35739 2.44702 -157.28346 743.11961
4540.0000 -163.44462 -156.78652 6.65810 2.46654 -156.96155 796.04495
4545.0000 -161.04090 -153.33250 7.70840 2.52325 -156.02604 828.11658
4550.0000 -162.06893 -154.42056 7.64837 2.63243 -154.22495 882.70310
4555.0000 -160.71911 -154.17684 6.54227 2.63481 -154.18573 911.56786
4560.0000 -164.01755 -156.89284 7.12471 2.52174 -156.05089 819.47358
4565.0000 -163.73862 -157.25063 6.48799 2.44554 -157.30801 746.65138
4570.0000 -165.06170 -158.47416 6.58753 2.41001 -157.89403 758.72319
4575.0000 -163.76619 -157.48722 6.27898 2.36362 -158.65929 725.11715
4580.0000 -162.80199 -156.02204 6.77995 2.49547 -156.48428 823.63863
4585.0000 -163.95217 -156.92990 7.02226 2.53324 -155.86125 845.54114
4590.0000 -164.45773 -158.03492 6.42280 2.41830 -157.75738 733.41962
4595.0000 -163.85904 -156.42861 7.43043 2.43337 -157.50868 752.19225
4600.0000 -163.28445 -155.46394 7.82051 2.54062 -155.73955 817.03294
4605.0000 -162.91139 -156.04304 6.86835 2.53891 -155.76770 810.92836
4610.0000 -163.27972 -156.61396 6.66576 2.46989 -156.90635 779.33599
4615.0000 -163.32434 -155.99650 7.32783 2.46040 -157.06280 773.57402
4620.0000 -163.23866 -156.63911 6.59955 2.46459 -156.99374 793.38416
4625.0000 -163.88958 -157.96443 5.92515 2.42870 -157.58577 728.97410
4630.0000 -164.49801 -158.19189 6.30611 2.40763 -157.93337 734.08523
4635.0000 -163.49323 -155.89340 7.59983 2.45557 -157.14245 795.42305
4640.0000 -164.01180 -157.18881 6.82299 2.42906 -157.57982 754.96259
4645.0000 -162.60924 -156.48743 6.12181 2.44660 -157.29042 766.57440
4650.0000 -162.87186 -156.12041 6.75145 2.44273 -157.35433 764.66868
4655.0000 -162.90488 -156.94622 5.95866 2.53848 -155.77487 821.71682
4660.0000 -164.02576 -157.41968 6.60608 2.45829 -157.09764 758.38890
4665.0000 -162.00757 -155.00931 6.99826 2.48375 -156.67771 742.15847
4670.0000 -162.48261 -155.77268 6.70993 2.54761 -155.62426 832.13853
4675.0000 -161.99537 -154.95147 7.04390 2.55214 -155.54952 842.65203
4680.0000 -162.97571 -156.42357 6.55214 2.53054 -155.90581 795.28291
4685.0000 -162.55154 -155.61489 6.93666 2.51887 -156.09836 790.35003
4690.0000 -162.75256 -156.42440 6.32816 2.50819 -156.27449 795.42863
4695.0000 -163.06753 -157.81666 5.25087 2.43381 -157.50151 756.67368
4700.0000 -163.40997 -157.01222 6.39775 2.44052 -157.39073 755.06174
4705.0000 -164.57759 -158.08758 6.49001 2.42424 -157.65927 749.35271
4710.0000 -163.29420 -157.13361 6.16058 2.43250 -157.52300 737.21292
4715.0000 -163.31177 -157.18814 6.12362 2.41151 -157.86926 722.22906
4720.0000 -163.24492 -156.04619 7.19873 2.49465 -156.49776 773.98953
4725.0000 -164.11577 -157.80300 6.31277 2.48160 -156.71304 781.66071
4730.0000 -163.34036 -156.47236 6.86800 2.43285 -157.51737 733.48087
4735.0000 -164.10304 -156.52029 7.58275 2.49450 -156.50032 822.80642
4740.0000 -163.83212 -155.78599 8.04614 2.51325 -156.19104 816.64575
4745.0000 -163.86474 -156.82560 7.03914 2.52583 -155.98347 828.33760
4750.0000 -163.49252 -156.72528 6.76723 2.52575 -155.98474 790.72158
FREEZING PROCESS: loop number 20 T-loop= 780.00000000000000
main_MD> interactions number 20 at Temperature= 780.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92315 -1.11296 1.50779
force_rgl> df(natom) -1.23660 -2.28930 -1.57301
4755.0000 -163.85039 -156.87074 6.97965 2.44529 -157.31209 755.13080
4760.0000 -163.55402 -155.98938 7.56464 2.48177 -156.71025 773.16285
4765.0000 -164.37668 -157.77328 6.60340 2.49729 -156.45423 806.88379
4770.0000 -163.91358 -157.29217 6.62140 2.44128 -157.37821 758.36376
4775.0000 -162.92923 -156.82989 6.09934 2.46868 -156.92628 778.29158
4780.0000 -163.66005 -157.26491 6.39514 2.48254 -156.69759 794.70247
4785.0000 -164.13620 -158.03505 6.10115 2.43500 -157.48185 765.20261
4790.0000 -163.56423 -156.31040 7.25383 2.46096 -157.05358 780.86807
4795.0000 -162.07691 -154.60264 7.47427 2.53922 -155.76256 809.98349
4800.0000 -161.26803 -152.91472 8.35331 2.67421 -153.53576 918.77912
4805.0000 -163.52364 -155.92425 7.59939 2.63322 -154.21192 899.01173
4810.0000 -163.58800 -156.56917 7.01883 2.50919 -156.25805 807.11422
4815.0000 -163.20842 -156.97626 6.23216 2.44015 -157.39694 747.81001
4820.0000 -163.72349 -157.61234 6.11115 2.43439 -157.49187 731.88505
4825.0000 -164.61501 -157.82030 6.79471 2.45411 -157.16659 769.98623
4830.0000 -164.81577 -158.03136 6.78441 2.41244 -157.85390 781.10755
4835.0000 -163.93782 -157.88848 6.04934 2.36600 -158.62013 687.74593
4840.0000 -165.37116 -159.28710 6.08406 2.36214 -158.68366 691.68647
4845.0000 -164.16605 -156.36867 7.79738 2.47178 -156.87503 777.65087
4850.0000 -162.99613 -157.01656 5.97957 2.51389 -156.18047 802.99639
4855.0000 -164.52669 -158.11912 6.40757 2.47483 -156.82482 757.46989
4860.0000 -164.98025 -158.29047 6.68978 2.41230 -157.85620 751.73632
4865.0000 -163.86963 -157.76365 6.10599 2.38604 -158.28939 747.26537
4870.0000 -163.62362 -156.35252 7.27111 2.45525 -157.14780 792.32982
4875.0000 -164.69769 -157.69864 6.99905 2.48007 -156.73838 796.84633
4880.0000 -162.61600 -155.94550 6.67050 2.48900 -156.59097 773.22926
4885.0000 -162.36155 -156.63573 5.72581 2.50747 -156.28629 789.38050
4890.0000 -163.48783 -156.18694 7.30090 2.50848 -156.26968 804.50311
4895.0000 -163.32856 -157.32486 6.00369 2.51319 -156.19197 796.16910
4900.0000 -164.57000 -158.17634 6.39366 2.42192 -157.69762 728.88607
4905.0000 -165.05427 -158.70657 6.34770 2.38291 -158.34110 698.95668
4910.0000 -162.97729 -155.92803 7.04926 2.43144 -157.54047 735.62834
4915.0000 -163.49880 -156.27824 7.22056 2.47857 -156.76311 782.41335
4920.0000 -163.53254 -157.16262 6.36992 2.48802 -156.60719 791.55993
4925.0000 -163.85570 -157.54479 6.31090 2.40519 -157.97355 711.70682
4930.0000 -162.99870 -157.07917 5.91953 2.43267 -157.52032 749.31122
4935.0000 -163.90916 -157.57557 6.33359 2.51923 -156.09229 794.05608
4940.0000 -163.87228 -157.12401 6.74827 2.47336 -156.84910 776.34393
4945.0000 -163.31834 -156.41528 6.90307 2.50412 -156.34167 799.57816
4950.0000 -162.54593 -156.54941 5.99653 2.47174 -156.87582 770.11701
4955.0000 -165.62523 -159.15852 6.46670 2.39214 -158.18887 747.72611
4960.0000 -165.34651 -158.91489 6.43163 2.37005 -158.55317 716.71602
4965.0000 -164.07440 -158.07983 5.99457 2.42007 -157.72809 733.27811
4970.0000 -163.48780 -156.95292 6.53488 2.45587 -157.13749 761.26231
4975.0000 -164.40159 -156.82695 7.57464 2.45939 -157.07951 756.00557
4980.0000 -164.55744 -158.03227 6.52518 2.44612 -157.29845 750.19853
4985.0000 -164.37108 -157.55366 6.81742 2.41544 -157.80449 757.95945
4990.0000 -164.78338 -157.87268 6.91071 2.48242 -156.69960 812.81935
4995.0000 -165.37722 -158.45070 6.92651 2.41430 -157.82326 757.99478
5000.0000 -164.21189 -156.88914 7.32275 2.45180 -157.20468 771.55063
FREEZING PROCESS: loop number 21 T-loop= 755.00000000000000
main_MD> interactions number 21 at Temperature= 755.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05110 3.00561 -4.07295
force_rgl> df(natom) 1.19484 -1.13399 -2.13812
5005.0000 -162.82172 -155.19104 7.63068 2.53164 -155.88760 813.81711
5010.0000 -163.79664 -157.39977 6.39687 2.47471 -156.82675 761.07275
5015.0000 -163.85811 -158.48974 5.36836 2.41500 -157.81178 746.65850
5020.0000 -164.48167 -158.46880 6.01288 2.38762 -158.26349 726.78070
5025.0000 -164.03793 -157.43187 6.60606 2.39777 -158.09592 717.37841
5030.0000 -162.49813 -156.60952 5.88862 2.46239 -157.03006 754.85321
5035.0000 -164.05936 -157.97775 6.08161 2.44652 -157.29179 735.05859
5040.0000 -164.44092 -158.06459 6.37632 2.42347 -157.67198 746.85551
5045.0000 -166.25481 -159.73999 6.51482 2.30885 -159.56285 678.57712
5050.0000 -165.76236 -159.01537 6.74698 2.30142 -159.68538 690.25123
5055.0000 -162.89679 -156.29390 6.60289 2.40754 -157.93485 728.31134
5060.0000 -163.51808 -158.20484 5.31323 2.50130 -156.38814 761.56611
5065.0000 -164.43901 -158.57061 5.86840 2.40486 -157.97908 732.77159
5070.0000 -164.95948 -158.43698 6.52250 2.37755 -158.42958 717.06331
5075.0000 -164.69922 -159.22005 5.47917 2.40291 -158.01121 741.62056
5080.0000 -165.34522 -159.41610 5.92912 2.30751 -159.58484 655.89241
5085.0000 -163.01951 -156.70052 6.31900 2.41782 -157.76530 743.16877
5090.0000 -164.47719 -158.47681 6.00039 2.43690 -157.45054 769.11340
5095.0000 -163.54903 -157.18765 6.36139 2.42394 -157.66423 740.47443
5100.0000 -163.25091 -156.50661 6.74429 2.47708 -156.78764 784.08041
5105.0000 -164.52388 -157.86982 6.65406 2.44196 -157.36696 771.21844
5110.0000 -164.11713 -158.28102 5.83611 2.40721 -157.94029 748.74435
5115.0000 -164.53454 -158.35578 6.17876 2.36347 -158.66179 691.28767
5120.0000 -163.88337 -156.87125 7.01212 2.42291 -157.68119 762.58898
5125.0000 -164.50918 -158.55045 5.95873 2.38950 -158.23241 724.91566
5130.0000 -162.37219 -156.91981 5.45238 2.43263 -157.52085 761.09076
5135.0000 -163.69460 -156.72881 6.96579 2.45913 -157.08369 789.66255
5140.0000 -162.27740 -155.86401 6.41340 2.48549 -156.64889 790.24614
5145.0000 -163.79614 -157.02715 6.76898 2.50679 -156.29751 783.93951
5150.0000 -163.49566 -156.89394 6.60171 2.41524 -157.80779 717.76853
5155.0000 -163.16254 -155.82937 7.33317 2.50195 -156.37737 796.53877
5160.0000 -164.87594 -158.10657 6.76937 2.46500 -156.98699 782.06891
5165.0000 -164.13559 -158.57918 5.55641 2.37944 -158.39833 711.28286
5170.0000 -163.65596 -156.95247 6.70349 2.40633 -157.95475 745.64608
5175.0000 -163.62597 -156.63686 6.98911 2.46427 -156.99895 794.48864
5180.0000 -163.31138 -157.58136 5.73002 2.45120 -157.21456 773.64782
5185.0000 -164.78209 -158.62327 6.15883 2.42677 -157.61757 768.37316
5190.0000 -164.14893 -158.67426 5.47467 2.39767 -158.09768 734.66259
5195.0000 -164.72883 -157.57568 7.15314 2.42219 -157.69306 771.78226
5200.0000 -165.32242 -158.52149 6.80093 2.41626 -157.79095 774.11650
5205.0000 -165.42029 -159.93871 5.48158 2.35164 -158.85697 701.46555
5210.0000 -164.39806 -158.83155 5.56650 2.31572 -159.44952 672.51026
5215.0000 -163.97231 -158.35980 5.61251 2.37267 -158.51010 707.28967
5220.0000 -165.14707 -159.04956 6.09752 2.41509 -157.81033 743.86751
5225.0000 -164.46241 -158.71792 5.74448 2.34248 -159.00809 684.71496
5230.0000 -164.51567 -159.72591 4.78975 2.30125 -159.68822 667.48772
5235.0000 -164.95532 -158.61342 6.34190 2.34128 -159.02786 710.92705
5240.0000 -165.89537 -158.76991 7.12546 2.38786 -158.25951 756.12232
5245.0000 -165.58690 -159.24807 6.33882 2.35193 -158.85207 719.32808
5250.0000 -164.35687 -156.94051 7.41636 2.38980 -158.22738 730.36883
FREEZING PROCESS: loop number 22 T-loop= 730.00000000000000
main_MD> interactions number 22 at Temperature= 730.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.59673 2.53863 2.96322
force_rgl> df(natom) 2.05593 1.44129 1.54499
5255.0000 -163.40899 -156.87880 6.53019 2.44150 -157.37462 747.12532
5260.0000 -162.55090 -155.46288 7.08802 2.48516 -156.65440 809.61214
5265.0000 -163.40792 -156.90609 6.50184 2.50516 -156.32442 769.92757
5270.0000 -163.77037 -158.23620 5.53417 2.42553 -157.63810 748.18452
5275.0000 -164.81541 -158.34254 6.47287 2.38740 -158.26703 716.06306
5280.0000 -164.70902 -158.20631 6.50272 2.36469 -158.64160 725.81722
5285.0000 -165.43656 -159.90130 5.53526 2.34969 -158.88906 721.85831
5290.0000 -163.76798 -157.97996 5.78802 2.30422 -159.63919 668.28302
5295.0000 -164.45926 -157.20375 7.25551 2.40208 -158.02488 755.72159
5300.0000 -165.66362 -159.53834 6.12528 2.39261 -158.18108 754.32633
5305.0000 -165.16414 -159.94470 5.21945 2.31651 -159.43648 707.25508
5310.0000 -165.00806 -158.88411 6.12394 2.28657 -159.93037 667.19424
5315.0000 -164.40081 -158.06594 6.33487 2.38534 -158.30100 730.45796
5320.0000 -165.87498 -160.65683 5.21815 2.30227 -159.67132 651.95270
5325.0000 -164.69897 -159.13633 5.56264 2.29263 -159.83032 661.70621
5330.0000 -164.59807 -157.75343 6.84464 2.39235 -158.18541 708.07390
5335.0000 -163.50285 -157.05033 6.45251 2.38378 -158.32677 710.73118
5340.0000 -163.24485 -157.43389 5.81096 2.41223 -157.85746 707.67429
5345.0000 -163.19867 -156.82777 6.37091 2.46950 -156.91262 734.13479
5350.0000 -165.12158 -158.06716 7.05442 2.46039 -157.06296 766.48336
5355.0000 -164.76169 -157.95642 6.80527 2.36548 -158.62869 735.32965
5360.0000 -164.17671 -158.51822 5.65849 2.35718 -158.76562 729.14676
5365.0000 -163.70174 -158.07639 5.62536 2.39159 -158.19787 712.06607
5370.0000 -163.50527 -157.68332 5.82195 2.40573 -157.96461 759.57507
5375.0000 -163.49298 -155.95297 7.54001 2.46177 -157.04020 800.48858
5380.0000 -164.52525 -157.18781 7.33744 2.48960 -156.58117 778.95807
5385.0000 -164.24000 -158.15982 6.08019 2.42407 -157.66207 761.27095
5390.0000 -165.46736 -158.59925 6.86811 2.40577 -157.96405 727.48770
5395.0000 -164.79042 -158.38543 6.40499 2.39538 -158.13541 703.89456
5400.0000 -163.62359 -158.22415 5.39944 2.37009 -158.55261 699.96663
5405.0000 -165.22153 -159.51797 5.70356 2.36795 -158.58788 693.68049
5410.0000 -165.33485 -158.71192 6.62292 2.33202 -159.18062 680.07464
5415.0000 -165.27255 -158.81877 6.45379 2.38014 -158.38674 710.02768
5420.0000 -164.57870 -158.30261 6.27609 2.33721 -159.09505 682.61814
5425.0000 -163.85373 -158.54127 5.31246 2.39670 -158.11368 719.59118
5430.0000 -164.51371 -158.54073 5.97298 2.40899 -157.91094 726.52700
5435.0000 -164.08592 -157.43683 6.64908 2.43681 -157.45196 747.38512
5440.0000 -164.36590 -158.62876 5.73714 2.39302 -158.17431 728.68620
5445.0000 -164.76789 -159.68079 5.08709 2.35526 -158.79718 662.98095
5450.0000 -164.22804 -158.95851 5.26953 2.35412 -158.81608 669.73800
5455.0000 -162.97453 -156.09529 6.87924 2.43988 -157.40134 739.21286
5460.0000 -163.45495 -155.93852 7.51643 2.50203 -156.37614 801.33462
5465.0000 -164.68202 -158.76614 5.91588 2.44485 -157.31933 766.13874
5470.0000 -163.67442 -157.23394 6.44048 2.38873 -158.24511 735.55433
5475.0000 -163.32819 -157.68904 5.63915 2.38819 -158.25408 726.50227
5480.0000 -165.22520 -157.86311 7.36209 2.37320 -158.50124 705.76892
5485.0000 -164.79312 -158.16592 6.62720 2.39708 -158.10736 718.54690
5490.0000 -164.63649 -159.17082 5.46568 2.37188 -158.52303 703.48919
5495.0000 -164.25640 -158.51842 5.73797 2.35748 -158.76053 672.59385
5500.0000 -165.36597 -158.50960 6.85637 2.39805 -158.09135 703.53943
FREEZING PROCESS: loop number 23 T-loop= 705.00000000000000
main_MD> interactions number 23 at Temperature= 705.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62748 5.04840 2.05484
force_rgl> df(natom) 1.39695 -0.61495 0.28637
5505.0000 -164.95515 -158.14485 6.81030 2.37859 -158.41238 722.76246
5510.0000 -165.31387 -159.17031 6.14356 2.35651 -158.77660 754.00980
5515.0000 -165.45998 -159.45384 6.00615 2.31318 -159.49134 706.25461
5520.0000 -164.50560 -158.97135 5.53426 2.38227 -158.35168 742.09834
5525.0000 -166.06869 -160.72779 5.34090 2.25533 -160.44562 644.49376
5530.0000 -165.13361 -159.21574 5.91787 2.27633 -160.09927 646.96413
5535.0000 -164.33474 -157.82583 6.50891 2.34440 -158.97635 703.87965
5540.0000 -164.21889 -157.99562 6.22327 2.40142 -158.03571 721.95501
5545.0000 -163.77411 -156.99116 6.78295 2.49521 -156.48865 800.41703
5550.0000 -164.64647 -158.13133 6.51515 2.45825 -157.09829 758.12108
5555.0000 -164.68710 -158.87250 5.81460 2.41723 -157.77493 717.16666
5560.0000 -163.41333 -156.12284 7.29050 2.41207 -157.86005 764.69119
5565.0000 -164.03543 -157.06199 6.97343 2.46286 -157.02227 729.66288
5570.0000 -164.58679 -158.86324 5.72356 2.35445 -158.81052 675.00281
5575.0000 -164.57851 -159.12626 5.45225 2.33605 -159.11405 664.31709
5580.0000 -165.69452 -159.67172 6.02280 2.32179 -159.34939 658.92412
5585.0000 -165.96017 -159.83953 6.12064 2.29680 -159.76163 658.83639
5590.0000 -165.81654 -159.99790 5.81864 2.22105 -161.01116 638.08138
5595.0000 -166.28508 -160.87836 5.40672 2.29395 -159.80858 657.07094
5600.0000 -165.82366 -160.44684 5.37682 2.23645 -160.75713 638.55631
5605.0000 -164.70230 -158.21857 6.48372 2.33658 -159.10540 737.98881
5610.0000 -163.94466 -157.65397 6.29070 2.42252 -157.68769 728.05669
5615.0000 -164.22275 -158.54215 5.68060 2.42535 -157.64099 710.61040
5620.0000 -164.61052 -158.54171 6.06880 2.40562 -157.96640 727.56599
5625.0000 -164.88319 -158.84669 6.03650 2.35373 -158.82249 684.07015
5630.0000 -164.66234 -159.44951 5.21284 2.32197 -159.34634 686.42454
5635.0000 -164.60325 -158.43118 6.17207 2.35602 -158.78471 670.56793
5640.0000 -163.51732 -156.41542 7.10191 2.42977 -157.56811 737.81952
5645.0000 -163.44362 -157.33894 6.10468 2.47147 -156.88026 773.57238
5650.0000 -163.39895 -157.03306 6.36589 2.45937 -157.07974 742.46384
5655.0000 -165.03453 -158.11003 6.92451 2.46438 -156.99714 764.29845
5660.0000 -165.36599 -158.22074 7.14525 2.38006 -158.38812 714.75340
5665.0000 -163.33053 -157.27533 6.05520 2.43691 -157.45037 733.27769
5670.0000 -166.10555 -159.47103 6.63452 2.40434 -157.98754 694.73196
5675.0000 -165.39429 -159.43180 5.96249 2.30946 -159.55282 657.85782
5680.0000 -164.32134 -158.76023 5.56111 2.36965 -158.55981 722.61830
5685.0000 -163.62332 -157.48598 6.13734 2.45263 -157.19102 784.39148
5690.0000 -164.87917 -159.55752 5.32165 2.37191 -158.52249 673.14281
5695.0000 -163.32683 -156.69855 6.62828 2.38607 -158.28892 722.58121
5700.0000 -164.81624 -158.45077 6.36547 2.40948 -157.90282 736.41567
5705.0000 -163.28875 -156.54099 6.74775 2.42550 -157.63858 764.26521
5710.0000 -165.48911 -159.20858 6.28054 2.43336 -157.50889 750.12632
5715.0000 -165.72770 -159.77117 5.95653 2.31115 -159.52479 688.79420
5720.0000 -164.67995 -158.40551 6.27444 2.31537 -159.45527 691.29900
5725.0000 -163.91814 -157.86220 6.05595 2.41937 -157.73957 740.67398
5730.0000 -165.93556 -160.54341 5.39215 2.29077 -159.86102 649.45331
5735.0000 -166.10005 -159.16450 6.93555 2.33873 -159.06986 701.44026
5740.0000 -166.16243 -160.14206 6.02037 2.34380 -158.98627 694.21100
5745.0000 -164.84120 -158.57771 6.26349 2.38523 -158.30284 720.70553
5750.0000 -163.90496 -157.42505 6.47992 2.39055 -158.21515 728.80067
FREEZING PROCESS: loop number 24 T-loop= 680.00000000000000
main_MD> interactions number 24 at Temperature= 680.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51100 0.77878 -0.93722
force_rgl> df(natom) -1.69839 -2.45266 -0.49650
5755.0000 -164.66481 -158.16203 6.50279 2.43438 -157.49209 771.33094
5760.0000 -165.25653 -159.66997 5.58656 2.34504 -158.96576 699.17784
5765.0000 -166.24423 -160.97870 5.26553 2.27218 -160.16773 653.50959
5770.0000 -166.74700 -160.96150 5.78549 2.24496 -160.61680 636.51183
5775.0000 -165.51911 -159.80375 5.71535 2.24370 -160.63760 630.70932
5780.0000 -165.42335 -159.75070 5.67264 2.29833 -159.73637 685.64260
5785.0000 -166.39089 -161.25200 5.13889 2.25958 -160.37565 646.88444
5790.0000 -165.72285 -159.84425 5.87861 2.25148 -160.50922 604.43695
5795.0000 -165.70009 -160.55298 5.14711 2.26873 -160.22462 619.14274
5800.0000 -165.50222 -158.95361 6.54861 2.28188 -160.00779 640.11453
5805.0000 -164.25436 -157.41378 6.84058 2.37367 -158.49350 698.06141
5810.0000 -163.09303 -157.51164 5.58139 2.39920 -158.07237 721.71627
5815.0000 -164.43557 -158.47069 5.96487 2.41394 -157.82918 724.44713
5820.0000 -164.96731 -159.76918 5.19813 2.35438 -158.81166 698.95677
5825.0000 -164.98013 -158.30402 6.67612 2.32524 -159.29251 673.27198
5830.0000 -164.64755 -158.79149 5.85606 2.36997 -158.55461 680.30948
5835.0000 -164.15189 -157.24566 6.90623 2.41148 -157.86986 739.52983
5840.0000 -164.50727 -158.09350 6.41377 2.40807 -157.92613 747.24780
5845.0000 -165.13821 -159.43313 5.70508 2.32180 -159.34911 665.46720
5850.0000 -164.81934 -159.57594 5.24340 2.31658 -159.43522 681.53303
5855.0000 -165.13957 -160.26158 4.87799 2.30045 -159.70138 655.83780
5860.0000 -165.78898 -159.92758 5.86140 2.31927 -159.39086 672.14234
5865.0000 -165.53790 -159.37149 6.16641 2.30928 -159.55573 684.41906
5870.0000 -165.81003 -160.04645 5.76358 2.29231 -159.83573 671.87724
5875.0000 -165.90132 -159.67361 6.22771 2.26420 -160.29944 670.66900
5880.0000 -165.00630 -158.85504 6.15126 2.28725 -159.91919 656.42366
5885.0000 -165.50361 -159.59922 5.90439 2.28715 -159.92076 689.13959
5890.0000 -166.48705 -160.58367 5.90338 2.25429 -160.46284 635.31608
5895.0000 -165.19745 -159.05652 6.14093 2.23721 -160.74454 627.34860
5900.0000 -165.06148 -159.07855 5.98293 2.33578 -159.11859 694.02854
5905.0000 -166.75851 -160.70598 6.05253 2.27735 -160.08236 632.47279
5910.0000 -165.43398 -159.48505 5.94893 2.29174 -159.84506 646.18610
5915.0000 -165.68252 -159.16644 6.51608 2.28837 -159.90062 631.69201
5920.0000 -164.92745 -158.77059 6.15686 2.34965 -158.88984 690.10015
5925.0000 -166.25078 -161.05763 5.19314 2.29378 -159.81149 630.08264
5930.0000 -166.12746 -160.43012 5.69734 2.24201 -160.66546 597.02066
5935.0000 -165.25276 -159.99907 5.25369 2.28122 -160.01859 643.87532
5940.0000 -165.10795 -159.32667 5.78128 2.29432 -159.80256 632.14812
5945.0000 -165.13003 -158.98251 6.14752 2.33673 -159.10292 662.20318
5950.0000 -165.48675 -159.69442 5.79234 2.35509 -158.80003 707.54417
5955.0000 -166.37094 -160.83334 5.53760 2.28427 -159.96822 654.82766
5960.0000 -165.62013 -159.94260 5.67753 2.27051 -160.19519 652.10448
5965.0000 -165.75338 -159.76058 5.99280 2.30955 -159.55128 666.32513
5970.0000 -165.35390 -158.47631 6.87759 2.35960 -158.72556 701.70143
5975.0000 -165.91673 -159.89707 6.01966 2.30139 -159.68588 666.04517
5980.0000 -164.04621 -157.92823 6.11798 2.33376 -159.15185 682.14487
5985.0000 -164.63846 -158.52877 6.10970 2.42785 -157.59974 740.19933
5990.0000 -164.13864 -158.88166 5.25699 2.37370 -158.49300 712.13977
5995.0000 -165.72514 -159.15155 6.57359 2.34272 -159.00403 662.94569
6000.0000 -166.25750 -160.62694 5.63056 2.27388 -160.13969 662.42038
FREEZING PROCESS: loop number 25 T-loop= 655.00000000000000
main_MD> interactions number 25 at Temperature= 655.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.40031 1.06856 0.91751
force_rgl> df(natom) -0.67314 -1.37312 1.74612
6005.0000 -166.21746 -160.81641 5.40105 2.19945 -161.36747 613.43760
6010.0000 -166.63876 -160.97947 5.65929 2.23115 -160.84461 635.90459
6015.0000 -166.90156 -161.42990 5.47166 2.20361 -161.29881 628.58736
6020.0000 -166.06238 -161.29336 4.76902 2.20356 -161.29974 639.48767
6025.0000 -166.21850 -160.23294 5.98556 2.20382 -161.29534 604.46973
6030.0000 -166.25377 -160.14735 6.10641 2.26792 -160.23803 641.85871
6035.0000 -165.15688 -158.83311 6.32378 2.30662 -159.59959 654.61976
6040.0000 -164.14923 -157.80202 6.34721 2.34656 -158.94067 684.44181
6045.0000 -164.81553 -159.04685 5.76868 2.36763 -158.59315 708.59654
6050.0000 -164.04459 -158.89792 5.14667 2.36935 -158.56482 708.04562
6055.0000 -164.67778 -158.17020 6.50758 2.38359 -158.32990 697.75422
6060.0000 -166.69776 -161.04912 5.64864 2.26961 -160.21014 656.75949
6065.0000 -165.64394 -160.56635 5.07759 2.24477 -160.61986 640.36757
6070.0000 -166.49145 -160.89270 5.59876 2.26116 -160.34953 629.34330
6075.0000 -167.48104 -161.86904 5.61201 2.20240 -161.31879 619.44039
6080.0000 -166.51668 -161.57123 4.94546 2.20944 -161.20277 590.67828
6085.0000 -164.54509 -159.63038 4.91471 2.24296 -160.64980 607.32698
6090.0000 -166.41053 -160.93122 5.47931 2.27606 -160.10375 661.11376
6095.0000 -165.57548 -160.99400 4.58147 2.22649 -160.92142 635.02456
6100.0000 -166.94905 -162.01436 4.93469 2.21710 -161.07637 600.60345
6105.0000 -166.45301 -161.14267 5.31034 2.17053 -161.84452 594.58560
6110.0000 -166.31832 -161.20508 5.11324 2.21625 -161.09027 616.26819
6115.0000 -165.64817 -160.69531 4.95286 2.24581 -160.60268 617.20720
6120.0000 -165.26735 -159.51846 5.74889 2.29724 -159.75427 642.06015
6125.0000 -166.44802 -160.47157 5.97645 2.32078 -159.36602 681.78772
6130.0000 -165.41324 -160.60830 4.80494 2.22448 -160.95455 617.12330
6135.0000 -167.16806 -161.65444 5.51362 2.24552 -160.60752 632.84252
6140.0000 -166.02980 -160.63631 5.39348 2.23524 -160.77710 628.71573
6145.0000 -166.84986 -160.74072 6.10913 2.22660 -160.91954 610.60254
6150.0000 -166.51701 -161.68825 4.82875 2.21673 -161.08246 604.70846
6155.0000 -165.86623 -160.72938 5.13685 2.20007 -161.35729 579.17153
6160.0000 -164.80191 -159.54366 5.25824 2.23123 -160.84327 618.58291
6165.0000 -165.26453 -158.83937 6.42516 2.32860 -159.23698 682.77710
6170.0000 -164.26890 -158.64595 5.62295 2.31489 -159.46322 693.88576
6175.0000 -164.92316 -158.15657 6.76658 2.38084 -158.37517 726.00825
6180.0000 -164.30457 -158.40030 5.90427 2.37539 -158.46510 720.97537
6185.0000 -165.27708 -159.55363 5.72345 2.33626 -159.11067 653.03967
6190.0000 -165.39776 -159.58786 5.80991 2.33436 -159.14197 658.04179
6195.0000 -165.97124 -159.85761 6.11363 2.33378 -159.15152 682.58347
6200.0000 -166.00480 -160.30528 5.69951 2.28904 -159.88960 673.78772
6205.0000 -165.59424 -160.17763 5.41661 2.27377 -160.14148 652.65108
6210.0000 -166.21387 -160.42287 5.79100 2.26120 -160.34887 636.62899
6215.0000 -166.25880 -160.63367 5.62513 2.25144 -160.50978 621.67722
6220.0000 -166.39405 -161.18349 5.21056 2.25387 -160.46972 620.29578
6225.0000 -165.87952 -161.43389 4.44563 2.22359 -160.96922 595.77622
6230.0000 -165.95660 -160.59541 5.36119 2.28785 -159.90927 654.19813
6235.0000 -165.79198 -160.29080 5.50118 2.21419 -161.12439 622.29198
6240.0000 -164.00786 -158.74658 5.26128 2.32800 -159.24693 668.68958
6245.0000 -166.16365 -160.89789 5.26576 2.29502 -159.79100 667.48046
6250.0000 -166.19416 -160.24613 5.94803 2.28017 -160.03593 660.30892
FREEZING PROCESS: loop number 26 T-loop= 630.00000000000000
main_MD> interactions number 26 at Temperature= 630.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94802 0.70751 0.12968
force_rgl> df(natom) -0.54657 0.06026 2.34451
6255.0000 -165.10299 -159.78458 5.31840 2.23935 -160.70932 619.80133
6260.0000 -165.96935 -161.27840 4.69095 2.21633 -161.08896 601.22402
6265.0000 -166.76755 -161.43195 5.33560 2.21242 -161.15358 594.52878
6270.0000 -166.37133 -160.22122 6.15011 2.23930 -160.71004 627.63058
6275.0000 -166.07486 -160.56465 5.51020 2.28452 -159.96415 679.43646
6280.0000 -167.58967 -161.72974 5.85992 2.19353 -161.46518 594.30160
6285.0000 -166.80721 -161.21633 5.59088 2.19222 -161.48683 613.56694
6290.0000 -166.18030 -160.91747 5.26282 2.24287 -160.65124 640.26184
6295.0000 -166.85956 -161.99604 4.86351 2.21824 -161.05746 605.05865
6300.0000 -166.39977 -161.64473 4.75505 2.18383 -161.62520 590.62931
6305.0000 -165.67433 -160.21416 5.46017 2.25895 -160.38605 627.81266
6310.0000 -165.31321 -160.41567 4.89754 2.25798 -160.40189 654.54544
6315.0000 -164.29186 -158.42254 5.86931 2.30986 -159.54617 675.60124
6320.0000 -166.85776 -161.70046 5.15731 2.24552 -160.60757 625.92848
6325.0000 -166.72442 -161.00965 5.71477 2.20556 -161.26670 599.21452
6330.0000 -165.51512 -160.05561 5.45951 2.24431 -160.62751 624.47372
6335.0000 -166.75131 -161.28552 5.46579 2.24636 -160.59364 637.08540
6340.0000 -165.85497 -161.24994 4.60503 2.23338 -160.80777 602.23009
6345.0000 -167.19302 -161.15440 6.03862 2.20701 -161.24273 594.88673
6350.0000 -165.55447 -159.50135 6.05312 2.23633 -160.75914 629.13075
6355.0000 -165.35832 -159.48003 5.87829 2.31016 -159.54117 657.00201
6360.0000 -164.55998 -159.12258 5.43740 2.31356 -159.48505 647.26441
6365.0000 -165.14387 -159.09128 6.05259 2.35556 -158.79227 699.34748
6370.0000 -165.26789 -160.38297 4.88493 2.32360 -159.31942 684.81578
6375.0000 -165.95361 -161.38589 4.56772 2.23879 -160.71860 646.27008
6380.0000 -166.32741 -161.72105 4.60636 2.17987 -161.69043 599.91882
6385.0000 -166.02458 -161.12251 4.90208 2.20858 -161.21696 591.40509
6390.0000 -165.04857 -159.90285 5.14571 2.27327 -160.14976 671.04873
6395.0000 -166.98982 -160.86995 6.11987 2.27915 -160.05267 660.33657
6400.0000 -165.72761 -160.67272 5.05489 2.23260 -160.82069 622.36102
6405.0000 -167.08879 -160.56179 6.52699 2.23379 -160.80109 620.96350
6410.0000 -165.25498 -159.46488 5.79010 2.27065 -160.19289 652.81341
6415.0000 -165.99652 -160.60681 5.38970 2.27917 -160.05239 635.37776
6420.0000 -165.41085 -160.60871 4.80213 2.24429 -160.62772 603.72647
6425.0000 -164.81095 -159.84710 4.96385 2.29569 -159.77992 669.57659
6430.0000 -165.93189 -160.79058 5.14130 2.26992 -160.20506 650.07365
6435.0000 -166.39665 -160.83712 5.55953 2.22839 -160.89005 639.93083
6440.0000 -165.72107 -160.67631 5.04476 2.26214 -160.33343 630.32869
6445.0000 -165.86665 -160.81171 5.05494 2.22552 -160.93739 587.26131
6450.0000 -166.16043 -160.45848 5.70195 2.25736 -160.41222 628.26832
6455.0000 -166.92609 -160.95236 5.97374 2.28190 -160.00736 652.74402
6460.0000 -165.03800 -159.11835 5.91965 2.27414 -160.13535 670.24523
6465.0000 -165.63792 -159.65917 5.97876 2.29949 -159.71728 662.15672
6470.0000 -165.91290 -160.81702 5.09588 2.29881 -159.72836 665.59211
6475.0000 -165.59230 -160.16698 5.42531 2.21079 -161.18036 589.54508
6480.0000 -165.25804 -159.11084 6.14720 2.28610 -159.93813 645.71979
6485.0000 -167.01179 -160.71184 6.29995 2.27731 -160.08318 657.73805
6490.0000 -166.52348 -161.45618 5.06730 2.21711 -161.07615 615.66198
6495.0000 -165.82012 -159.96907 5.85105 2.25215 -160.49821 648.54620
6500.0000 -165.17849 -159.69445 5.48404 2.29109 -159.85586 651.63058
FREEZING PROCESS: loop number 27 T-loop= 605.00000000000000
main_MD> interactions number 27 at Temperature= 605.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.53094 -0.04993 2.82383
force_rgl> df(natom) 2.39372 0.20251 0.89445
6505.0000 -165.12086 -160.48923 4.63163 2.24314 -160.64669 621.63748
6510.0000 -165.72869 -159.99125 5.73744 2.28729 -159.91842 634.87217
6515.0000 -165.41713 -160.23092 5.18621 2.30264 -159.66531 646.97406
6520.0000 -165.37755 -160.07146 5.30609 2.29999 -159.70896 672.97426
6525.0000 -166.17632 -161.06785 5.10848 2.23284 -160.81672 618.71120
6530.0000 -166.90903 -161.37749 5.53155 2.22814 -160.89426 609.24441
6535.0000 -167.37028 -162.03884 5.33144 2.21062 -161.18316 621.14300
6540.0000 -166.63051 -161.69705 4.93346 2.19346 -161.46624 626.46930
6545.0000 -167.19072 -162.34619 4.84453 2.16549 -161.92776 589.04344
6550.0000 -168.08470 -162.33714 5.74756 2.12624 -162.57511 570.59269
6555.0000 -166.40446 -161.96419 4.44027 2.11250 -162.80181 558.20683
6560.0000 -167.22014 -162.29803 4.92211 2.15885 -162.03721 570.68528
6565.0000 -166.41090 -161.54586 4.86504 2.15825 -162.04714 570.87526
6570.0000 -166.23035 -161.28019 4.95017 2.19616 -161.42176 583.23138
6575.0000 -165.58954 -160.73712 4.85242 2.23248 -160.82259 608.12617
6580.0000 -165.93166 -159.81107 6.12059 2.28849 -159.89864 681.31092
6585.0000 -167.40754 -162.37259 5.03495 2.23165 -160.83624 655.69291
6590.0000 -166.94918 -162.30410 4.64508 2.11939 -162.68820 552.82295
6595.0000 -166.65704 -161.73061 4.92643 2.21421 -161.12408 608.09311
6600.0000 -167.07081 -161.68816 5.38265 2.17545 -161.76344 587.90270
6605.0000 -166.42669 -160.50330 5.92339 2.22565 -160.93522 596.23249
6610.0000 -165.68865 -160.32174 5.36691 2.26190 -160.33733 637.72314
6615.0000 -165.44754 -159.85682 5.59072 2.31025 -159.53969 691.23483
6620.0000 -166.04435 -161.32522 4.71913 2.25504 -160.45043 627.18665
6625.0000 -166.25138 -161.37848 4.87290 2.18415 -161.61987 586.02037
6630.0000 -166.80658 -161.85310 4.95348 2.17496 -161.77144 572.64228
6635.0000 -166.45349 -161.69510 4.75839 2.17299 -161.80390 568.72189
6640.0000 -166.63305 -161.48496 5.14809 2.18020 -161.68498 612.84535
6645.0000 -167.71727 -162.59732 5.11995 2.16065 -162.00753 600.39634
6650.0000 -167.35343 -161.91615 5.43728 2.10833 -162.87054 542.70857
6655.0000 -166.94464 -161.49668 5.44796 2.18324 -161.63486 595.87017
6660.0000 -166.60787 -161.47393 5.13394 2.20490 -161.27753 602.45030
6665.0000 -167.38889 -162.16996 5.21893 2.18940 -161.53333 584.67584
6670.0000 -166.51728 -161.33991 5.17737 2.20225 -161.32125 621.46471
6675.0000 -167.29347 -161.93547 5.35799 2.16240 -161.97872 594.72906
6680.0000 -167.82710 -163.64059 4.18651 2.10475 -162.92965 562.10032
6685.0000 -167.10514 -162.48852 4.61662 2.08592 -163.24032 533.48879
6690.0000 -165.94159 -159.46223 6.47936 2.20614 -161.25720 615.86700
6695.0000 -164.71017 -160.07451 4.63566 2.24528 -160.61152 639.09673
6700.0000 -166.65722 -161.41293 5.24430 2.25814 -160.39929 600.04157
6705.0000 -166.18798 -160.95456 5.23342 2.22044 -161.02122 588.65001
6710.0000 -168.19754 -162.83400 5.36354 2.18324 -161.63496 580.14471
6715.0000 -166.95897 -161.78970 5.16927 2.16536 -161.92982 577.52262
6720.0000 -167.62431 -163.43783 4.18648 2.13130 -162.49176 549.96170
6725.0000 -167.54745 -161.82527 5.72219 2.10578 -162.91273 541.12875
6730.0000 -167.53579 -162.11791 5.41788 2.13231 -162.47503 562.96738
6735.0000 -166.26083 -160.91558 5.34524 2.19806 -161.39046 623.52085
6740.0000 -167.38568 -161.51752 5.86816 2.16652 -161.91074 605.03591
6745.0000 -166.19468 -161.17002 5.02465 2.22164 -161.00144 623.84610
6750.0000 -166.51695 -161.96890 4.54805 2.18789 -161.55813 603.82265
FREEZING PROCESS: loop number 28 T-loop= 580.00000000000000
main_MD> interactions number 28 at Temperature= 580.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.59175 1.74212 -0.38805
force_rgl> df(natom) 1.18608 -0.28356 0.42485
6755.0000 -166.62093 -161.38126 5.23968 2.17212 -161.81828 578.23354
6760.0000 -166.48905 -161.51321 4.97584 2.15727 -162.06322 558.34343
6765.0000 -167.06317 -162.53217 4.53100 2.19889 -161.37673 603.88968
6770.0000 -167.96473 -162.48576 5.47897 2.15480 -162.10399 573.31371
6775.0000 -167.77776 -162.92377 4.85399 2.10696 -162.89325 551.78070
6780.0000 -166.08123 -161.94895 4.13229 2.14472 -162.27040 562.26348
6785.0000 -166.82781 -161.59326 5.23454 2.20156 -161.33265 596.64127
6790.0000 -166.85841 -162.25183 4.60658 2.14825 -162.21217 580.68354
6795.0000 -166.76614 -162.65374 4.11240 2.12805 -162.54531 556.49804
6800.0000 -166.91869 -162.06161 4.85707 2.12946 -162.52199 555.90215
6805.0000 -166.70661 -161.52586 5.18074 2.16799 -161.88647 582.70675
6810.0000 -166.75487 -162.09049 4.66438 2.18791 -161.55783 615.04963
6815.0000 -167.70615 -162.04005 5.66610 2.15254 -162.14141 585.93336
6820.0000 -167.21923 -162.43152 4.78770 2.12897 -162.53019 582.00686
6825.0000 -167.63506 -162.65366 4.98140 2.15966 -162.02385 595.52384
6830.0000 -167.50938 -161.88527 5.62410 2.15116 -162.16409 560.29019
6835.0000 -167.02808 -161.92071 5.10737 2.17697 -161.73833 578.00680
6840.0000 -166.49768 -161.18457 5.31311 2.16808 -161.88500 590.80751
6845.0000 -165.93545 -160.52283 5.41263 2.25310 -160.48245 658.90540
6850.0000 -167.83391 -162.76377 5.07014 2.19176 -161.49427 601.22907
6855.0000 -167.99903 -163.20088 4.79814 2.12810 -162.54442 547.85601
6860.0000 -167.82127 -163.57267 4.24860 2.08115 -163.31907 509.46839
6865.0000 -166.88026 -161.89717 4.98309 2.13534 -162.42514 560.15039
6870.0000 -167.42193 -161.62191 5.80002 2.17242 -161.81339 580.34383
6875.0000 -167.71337 -163.30504 4.40832 2.14826 -162.21198 567.72634
6880.0000 -167.61671 -162.43992 5.17679 2.11902 -162.69426 555.25170
6885.0000 -166.40801 -162.14442 4.26358 2.19405 -161.45658 610.02952
6890.0000 -166.21306 -160.59356 5.61949 2.19231 -161.48530 590.40841
6895.0000 -166.98532 -161.93750 5.04782 2.22740 -160.90650 604.66852
6900.0000 -167.66543 -162.80227 4.86316 2.13153 -162.48787 563.59639
6905.0000 -167.46978 -162.58265 4.88713 2.12774 -162.55038 549.76641
6910.0000 -167.42239 -163.03627 4.38612 2.12809 -162.54473 543.38784
6915.0000 -167.34219 -162.88207 4.46012 2.10209 -162.97351 526.07027
6920.0000 -166.95082 -161.36232 5.58850 2.14349 -162.29060 554.08575
6925.0000 -167.87167 -163.06913 4.80254 2.13802 -162.38085 573.59788
6930.0000 -166.42002 -161.65571 4.76432 2.15581 -162.08734 576.43797
6935.0000 -167.12879 -162.34816 4.78064 2.17843 -161.71420 571.57092
6940.0000 -166.51858 -161.94271 4.57587 2.14092 -162.33302 535.52055
6945.0000 -166.29041 -160.99486 5.29555 2.20574 -161.26372 576.64419
6950.0000 -167.71101 -163.18340 4.52761 2.17459 -161.77766 570.47700
6955.0000 -167.00697 -160.76338 6.24359 2.17829 -161.71654 594.80580
6960.0000 -165.71107 -160.87642 4.83465 2.23396 -160.79827 621.42250
6965.0000 -166.85797 -161.09403 5.76394 2.20577 -161.26323 593.70053
6970.0000 -166.77843 -161.61443 5.16400 2.19059 -161.51370 594.19991
6975.0000 -166.74416 -162.07194 4.67223 2.21565 -161.10018 609.12969
6980.0000 -166.90555 -161.59257 5.31298 2.16576 -161.92318 555.89509
6985.0000 -167.16150 -162.54478 4.61672 2.17732 -161.73251 597.85992
6990.0000 -166.33361 -161.47453 4.85909 2.15048 -162.17525 582.90406
6995.0000 -166.05516 -159.72622 6.32894 2.27907 -160.05412 664.36565
7000.0000 -166.65132 -162.02848 4.62284 2.25909 -160.38374 660.04102
FREEZING PROCESS: loop number 29 T-loop= 555.00000000000000
main_MD> interactions number 29 at Temperature= 555.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.38451 4.22970 2.63597
force_rgl> df(natom) 4.46419 -1.76214 -3.56282
7005.0000 -168.20344 -163.61764 4.58580 2.11282 -162.79648 541.87821
7010.0000 -167.19657 -163.12333 4.07324 2.08388 -163.27396 521.22826
7015.0000 -167.75234 -162.73142 5.02092 2.10756 -162.88337 543.58105
7020.0000 -167.12667 -161.32753 5.79914 2.14792 -162.21760 571.72769
7025.0000 -166.87767 -161.51697 5.36070 2.17048 -161.84538 583.89169
7030.0000 -166.74809 -161.69274 5.05535 2.19206 -161.48942 591.16619
7035.0000 -166.48363 -162.01598 4.46765 2.19511 -161.43901 586.18191
7040.0000 -167.56849 -162.96372 4.60477 2.11848 -162.70319 531.65502
7045.0000 -167.22182 -161.84570 5.37612 2.13278 -162.46722 546.12448
7050.0000 -166.92679 -161.11299 5.81380 2.17827 -161.71687 559.28671
7055.0000 -167.26993 -163.04632 4.22361 2.19009 -161.52189 590.17113
7060.0000 -167.35958 -161.02935 6.33022 2.14223 -162.31135 568.84362
7065.0000 -166.81682 -161.47493 5.34189 2.17991 -161.68976 607.55708
7070.0000 -167.35066 -162.29523 5.05543 2.16453 -161.94358 576.48106
7075.0000 -166.98052 -161.81887 5.16164 2.13546 -162.42303 566.21063
7080.0000 -167.26139 -162.92763 4.33377 2.10146 -162.98399 532.87986
7085.0000 -167.86705 -162.62794 5.23911 2.09397 -163.10756 540.94017
7090.0000 -166.88367 -161.36946 5.51421 2.17633 -161.74893 614.78472
7095.0000 -165.92759 -161.77095 4.15664 2.18358 -161.62922 575.71869
7100.0000 -166.75482 -161.61256 5.14226 2.17563 -161.76047 571.60493
7105.0000 -166.93879 -162.36440 4.57439 2.14673 -162.23717 562.60098
7110.0000 -167.18479 -162.70949 4.47530 2.13493 -162.43184 542.97058
7115.0000 -166.91478 -162.24307 4.67171 2.16782 -161.88920 557.23075
7120.0000 -166.53762 -162.10953 4.42809 2.17008 -161.85204 572.13426
7125.0000 -166.85409 -162.02063 4.83346 2.13443 -162.44001 550.09839
7130.0000 -167.72773 -163.33339 4.39434 2.11385 -162.77962 547.24111
7135.0000 -167.23431 -162.20790 5.02641 2.12176 -162.64900 529.16906
7140.0000 -166.47133 -162.21564 4.25569 2.13178 -162.48371 520.10818
7145.0000 -167.99023 -162.67681 5.31342 2.14837 -162.21018 543.43875
7150.0000 -168.69027 -164.27322 4.41705 2.05001 -163.83272 496.39322
7155.0000 -168.87930 -164.97618 3.90311 1.98332 -164.93275 463.39647
7160.0000 -169.06799 -164.49769 4.57030 2.00406 -164.59072 484.89173
7165.0000 -167.16386 -161.44885 5.71501 2.07849 -163.36279 546.61588
7170.0000 -168.13144 -162.88317 5.24827 2.13032 -162.50794 577.15880
7175.0000 -166.31704 -161.66126 4.65578 2.14679 -162.23624 582.47549
7180.0000 -167.09352 -162.22801 4.86551 2.15535 -162.09503 582.02427
7185.0000 -167.90241 -164.02261 3.87980 2.08271 -163.29329 524.51845
7190.0000 -166.69058 -161.41555 5.27503 2.12967 -162.51860 559.20225
7195.0000 -166.86425 -161.66923 5.19502 2.17982 -161.69128 603.53163
7200.0000 -166.66416 -161.63217 5.03198 2.17404 -161.78662 582.99654
7205.0000 -166.76090 -162.79458 3.96632 2.13994 -162.34913 547.25307
7210.0000 -168.09911 -163.36654 4.73257 2.09472 -163.09522 523.84654
7215.0000 -168.22159 -162.89607 5.32552 2.11044 -162.83589 520.46873
7220.0000 -166.52150 -161.63353 4.88797 2.16105 -162.00093 580.01345
7225.0000 -168.02504 -163.46507 4.55997 2.12040 -162.67156 562.70141
7230.0000 -167.52455 -163.27322 4.25133 2.07271 -163.45828 525.86629
7235.0000 -167.93828 -162.74015 5.19813 2.09546 -163.08299 534.52889
7240.0000 -166.59301 -162.35326 4.23975 2.14935 -162.19397 574.42132
7245.0000 -167.17833 -161.60640 5.57193 2.13535 -162.42482 550.02767
7250.0000 -166.48307 -162.10200 4.38108 2.16091 -162.00326 581.08114
FREEZING PROCESS: loop number 30 T-loop= 530.00000000000000
main_MD> interactions number 30 at Temperature= 530.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70114 -0.16879 -0.47634
force_rgl> df(natom) 0.44419 0.00439 -3.12766
7255.0000 -167.00899 -162.59090 4.41809 2.11428 -162.77245 515.12735
7260.0000 -167.26917 -163.53491 3.73426 2.10105 -162.99069 520.76254
7265.0000 -168.34551 -164.02256 4.32296 2.06810 -163.53430 514.99586
7270.0000 -168.45668 -164.59277 3.86391 2.00015 -164.65520 463.04268
7275.0000 -168.54653 -164.02299 4.52354 2.01495 -164.41099 482.16098
7280.0000 -167.29491 -163.22971 4.06520 2.06716 -163.54969 521.44567
7285.0000 -167.45668 -162.60186 4.85481 2.11707 -162.72650 540.16369
7290.0000 -168.37805 -163.66749 4.71056 2.09383 -163.10974 553.27267
7295.0000 -168.06532 -164.02486 4.04046 2.05084 -163.81895 530.73903
7300.0000 -167.92311 -163.19300 4.73011 2.08251 -163.29655 542.21986
7305.0000 -168.86758 -164.23347 4.63411 2.04123 -163.97750 510.39791
7310.0000 -168.39202 -163.47517 4.91685 2.04335 -163.94252 528.67561
7315.0000 -168.04493 -164.43658 3.60835 2.02963 -164.16886 514.42966
7320.0000 -168.43773 -163.91375 4.52398 2.05495 -163.75111 522.90993
7325.0000 -168.73631 -165.09904 3.63727 2.01131 -164.47104 509.30459
7330.0000 -168.99748 -164.23854 4.75894 1.98776 -164.85957 491.34604
7335.0000 -168.28019 -163.72495 4.55524 2.03948 -164.00633 520.79926
7340.0000 -168.74732 -164.56140 4.18592 2.03132 -164.14106 510.62071
7345.0000 -168.68987 -164.23751 4.45236 1.99899 -164.67432 490.50439
7350.0000 -168.26728 -163.18722 5.08007 2.04663 -163.88843 522.40997
7355.0000 -168.65949 -164.97755 3.68194 2.08600 -163.23902 558.77666
7360.0000 -168.20479 -164.36538 3.83941 1.99919 -164.67096 477.82110
7365.0000 -168.83580 -164.69690 4.13890 1.99949 -164.66607 482.51343
7370.0000 -169.29783 -165.20993 4.08791 1.99552 -164.73160 483.75431
7375.0000 -168.60514 -163.66068 4.94446 1.99245 -164.78217 481.66737
7380.0000 -167.18324 -162.25415 4.92909 2.10281 -162.96165 556.42989
7385.0000 -168.65304 -164.40609 4.24695 2.07666 -163.39311 508.59769
7390.0000 -167.49700 -163.03022 4.46678 2.02376 -164.26571 452.82746
7395.0000 -166.29952 -161.90360 4.39592 2.10991 -162.84453 527.60839
7400.0000 -168.10122 -162.68335 5.41787 2.12190 -162.64680 542.54547
7405.0000 -167.94201 -162.40382 5.53819 2.13751 -162.38935 559.64450
7410.0000 -167.68842 -162.45552 5.23290 2.11203 -162.80957 538.18268
7415.0000 -168.69475 -163.84633 4.84842 2.07820 -163.36767 521.69461
7420.0000 -168.00602 -163.72871 4.27730 2.06310 -163.61672 513.95204
7425.0000 -168.15934 -163.85625 4.30308 2.05952 -163.67579 491.36666
7430.0000 -167.91638 -163.61577 4.30061 2.05247 -163.79210 489.66350
7435.0000 -168.18132 -163.46638 4.71494 2.07824 -163.36700 534.96924
7440.0000 -167.91606 -163.52213 4.39393 2.07747 -163.37964 531.08546
7445.0000 -167.67102 -163.37634 4.29468 2.08705 -163.22173 569.45644
7450.0000 -168.43882 -164.46038 3.97844 2.02947 -164.17155 522.14548
7455.0000 -169.05377 -164.41597 4.63779 2.01818 -164.35782 505.67781
7460.0000 -168.95022 -163.85859 5.09162 2.04095 -163.98217 537.87709
7465.0000 -168.00174 -163.52362 4.47812 2.04377 -163.93555 548.20418
7470.0000 -167.75379 -163.28511 4.46868 2.04091 -163.98276 526.76289
7475.0000 -167.64653 -162.87175 4.77478 2.10043 -163.00099 545.47431
7480.0000 -168.00503 -163.47164 4.53339 2.07593 -163.40517 532.21817
7485.0000 -168.01311 -163.59395 4.41916 2.08022 -163.33428 511.45434
7490.0000 -167.40155 -163.28472 4.11683 2.07419 -163.43374 500.58770
7495.0000 -168.71266 -164.12336 4.58930 2.03027 -164.15828 484.02965
7500.0000 -168.64037 -163.33440 5.30596 2.05701 -163.71719 540.82840
FREEZING PROCESS: loop number 31 T-loop= 505.00000000000000
main_MD> interactions number 31 at Temperature= 505.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.63410 0.19561 0.17315
force_rgl> df(natom) -1.53444 -1.84518 1.18682
7505.0000 -168.42339 -163.76620 4.65719 2.07162 -163.47612 534.14420
7510.0000 -169.19424 -164.85338 4.34086 2.07455 -163.42791 537.12951
7515.0000 -168.82806 -164.60103 4.22703 1.99930 -164.66912 494.53552
7520.0000 -169.50185 -165.30212 4.19974 1.95337 -165.42680 438.08318
7525.0000 -168.38740 -163.48385 4.90355 2.05811 -163.69900 519.28075
7530.0000 -168.99468 -164.61841 4.37627 2.02823 -164.19196 499.84995
7535.0000 -168.73684 -165.11593 3.62091 1.97512 -165.06802 445.04910
7540.0000 -169.05000 -164.43241 4.61759 1.98694 -164.87305 484.03869
7545.0000 -168.79109 -164.29292 4.49817 2.00614 -164.55631 513.62393
7550.0000 -168.82110 -165.40169 3.41941 1.99083 -164.80894 485.46766
7555.0000 -169.39916 -164.91059 4.48857 1.97341 -165.09635 483.08047
7560.0000 -169.27397 -165.57008 3.70389 1.97796 -165.02130 494.07716
7565.0000 -169.60388 -164.69544 4.90844 1.98489 -164.90698 497.67692
7570.0000 -167.08566 -163.09097 3.99469 2.07415 -163.43444 541.24323
7575.0000 -169.13008 -164.25037 4.87971 2.06973 -163.50735 529.00561
7580.0000 -168.87562 -164.77060 4.10502 2.02625 -164.22456 510.48027
7585.0000 -168.24525 -164.59017 3.65508 1.99724 -164.70316 471.88475
7590.0000 -168.76155 -164.32925 4.43230 2.02902 -164.17895 506.66352
7595.0000 -168.96948 -164.87498 4.09450 1.98289 -164.93983 477.58977
7600.0000 -168.14209 -164.20019 3.94190 2.02163 -164.30076 492.20516
7605.0000 -168.67841 -163.70714 4.97127 2.06415 -163.59939 520.31054
7610.0000 -168.65962 -164.47533 4.18428 2.03143 -164.13913 504.88492
7615.0000 -168.89110 -164.23631 4.65479 2.01169 -164.46476 501.04559
7620.0000 -167.89713 -163.53730 4.35982 2.02836 -164.18987 511.51267
7625.0000 -168.44701 -163.46410 4.98291 2.05084 -163.81898 525.60601
7630.0000 -168.28362 -163.59428 4.68933 2.04922 -163.84577 532.00801
7635.0000 -168.00909 -163.43153 4.57756 2.05240 -163.79320 524.60295
7640.0000 -168.41697 -163.48798 4.92899 2.08174 -163.30928 539.09573
7645.0000 -167.79178 -163.33214 4.45964 2.05147 -163.80860 527.82420
7650.0000 -168.74220 -164.12771 4.61449 2.05947 -163.67663 538.77521
7655.0000 -168.38666 -164.18836 4.19830 2.02758 -164.20269 483.39893
7660.0000 -168.17005 -163.78499 4.38506 2.04034 -163.99213 490.84346
7665.0000 -168.92468 -164.08563 4.83905 2.03967 -164.00327 511.58088
7670.0000 -168.59690 -164.83481 3.76210 2.03121 -164.14279 513.44065
7675.0000 -168.22450 -164.63896 3.58554 1.99191 -164.79113 452.95208
7680.0000 -168.43819 -163.63620 4.80199 2.03151 -164.13790 473.82885
7685.0000 -167.48084 -163.59929 3.88154 2.07475 -163.42461 515.90196
7690.0000 -168.20287 -163.21795 4.98492 2.07311 -163.45159 544.05493
7695.0000 -168.07706 -163.46000 4.61706 2.05561 -163.74028 537.33533
7700.0000 -169.18234 -165.24348 3.93886 2.00383 -164.59452 494.13681
7705.0000 -168.17562 -163.86422 4.31140 2.00378 -164.59527 492.38905
7710.0000 -167.22985 -163.17847 4.05138 2.09168 -163.14534 531.03715
7715.0000 -167.41928 -162.76036 4.65892 2.08376 -163.27586 541.51917
7720.0000 -167.87864 -163.86673 4.01191 2.07010 -163.50127 500.44889
7725.0000 -167.61568 -163.29899 4.31669 2.05643 -163.72675 512.83035
7730.0000 -167.74511 -163.40402 4.34109 2.06604 -163.56826 513.58996
7735.0000 -167.48659 -162.87553 4.61106 2.07552 -163.41181 529.18423
7740.0000 -167.86034 -163.45260 4.40773 2.08739 -163.21599 540.05219
7745.0000 -167.90820 -163.99431 3.91389 2.08768 -163.21130 536.89914
7750.0000 -168.23300 -164.60165 3.63135 2.04020 -163.99456 487.92091
FREEZING PROCESS: loop number 32 T-loop= 480.00000000000000
main_MD> interactions number 32 at Temperature= 480.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.56891 -0.23954 -2.29463
force_rgl> df(natom) -1.61442 -1.78083 -3.54938
7755.0000 -168.88317 -164.51271 4.37046 2.01132 -164.47089 472.00385
7760.0000 -168.39725 -164.34473 4.05252 2.03650 -164.05556 497.70279
7765.0000 -169.01873 -164.14042 4.87831 2.02266 -164.28387 483.78566
7770.0000 -168.50678 -163.95074 4.55604 2.01287 -164.44536 487.79208
7775.0000 -170.04498 -165.39542 4.64957 2.01856 -164.35152 492.65319
7780.0000 -169.32620 -164.94694 4.37926 1.98868 -164.84445 491.79106
7785.0000 -169.41851 -165.18171 4.23680 1.99553 -164.73143 495.36284
7790.0000 -168.98327 -164.49877 4.48450 2.00468 -164.58045 500.48412
7795.0000 -168.63137 -163.41301 5.21836 2.01113 -164.47403 499.83420
7800.0000 -168.86025 -164.54932 4.31093 2.02548 -164.23727 510.11943
7805.0000 -169.33502 -164.28821 5.04681 1.99105 -164.80528 482.78261
7810.0000 -168.99369 -164.98655 4.00713 2.00143 -164.63407 485.51808
7815.0000 -168.00118 -163.90870 4.09247 2.01826 -164.35641 474.19804
7820.0000 -168.84395 -164.20057 4.64338 2.04575 -163.90294 501.30990
7825.0000 -168.56970 -163.43525 5.13445 2.05248 -163.79185 529.92293
7830.0000 -168.71419 -164.54799 4.16620 2.02492 -164.24659 498.62745
7835.0000 -169.95891 -165.51393 4.44498 1.98428 -164.91690 460.78483
7840.0000 -169.68659 -165.72357 3.96301 1.92299 -165.92803 428.23898
7845.0000 -169.18695 -164.26137 4.92558 1.99022 -164.81895 479.79010
7850.0000 -169.60936 -165.51678 4.09258 1.96686 -165.20439 466.23429
7855.0000 -169.42767 -165.84213 3.58554 1.93532 -165.72455 429.92009
7860.0000 -169.37939 -164.86187 4.51752 1.95532 -165.39473 451.57579
7865.0000 -169.71706 -166.55728 3.15978 1.93806 -165.67941 447.56094
7870.0000 -168.97913 -164.97005 4.00908 1.92318 -165.92494 431.98764
7875.0000 -168.34939 -164.64784 3.70155 1.99849 -164.68249 490.79841
7880.0000 -169.57956 -165.11144 4.46812 1.96990 -165.15421 458.63644
7885.0000 -169.79374 -165.37788 4.41586 1.95636 -165.37759 466.71331
7890.0000 -169.17131 -165.02167 4.14963 1.97853 -165.01179 468.40664
7895.0000 -169.09966 -165.19157 3.90809 1.96691 -165.20357 464.92302
7900.0000 -168.94331 -164.84411 4.09920 1.98496 -164.90577 474.02465
7905.0000 -168.46473 -164.47903 3.98570 2.00639 -164.55230 483.07429
7910.0000 -169.83556 -165.59784 4.23772 1.99178 -164.79318 468.95760
7915.0000 -168.42626 -165.05698 3.36928 1.94809 -165.51403 421.71197
7920.0000 -168.23154 -163.94344 4.28810 2.01214 -164.45739 470.67174
7925.0000 -167.83440 -162.97932 4.85508 2.07344 -163.44613 509.04701
7930.0000 -168.45770 -163.80787 4.64983 2.06504 -163.58481 506.18365
7935.0000 -169.01409 -164.95315 4.06094 2.01192 -164.46106 484.39412
7940.0000 -169.44441 -165.42428 4.02013 1.94731 -165.52684 438.02597
7945.0000 -169.31980 -165.65790 3.66190 1.95380 -165.41977 458.52616
7950.0000 -169.23310 -164.96681 4.26629 1.97708 -165.03568 473.13339
7955.0000 -168.86473 -164.31748 4.54725 2.00203 -164.62424 494.56215
7960.0000 -168.97137 -164.95500 4.01637 1.97949 -164.99604 462.18127
7965.0000 -168.93069 -164.92976 4.00092 1.97058 -165.14299 462.13508
7970.0000 -167.62917 -163.34647 4.28271 2.00986 -164.49493 470.33434
7975.0000 -169.43857 -164.80766 4.63091 2.01734 -164.37154 481.23391
7980.0000 -169.13598 -165.08227 4.05371 1.98861 -164.84561 484.33286
7985.0000 -168.68920 -163.93199 4.75722 2.00620 -164.55540 485.10496
7990.0000 -168.72938 -164.57389 4.15549 2.01905 -164.34340 499.07389
7995.0000 -168.95640 -164.31264 4.64376 2.00229 -164.61993 473.57041
8000.0000 -168.81746 -163.84686 4.97060 2.04596 -163.89941 515.75540
FREEZING PROCESS: loop number 33 T-loop= 455.00000000000000
main_MD> interactions number 33 at Temperature= 455.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.13339 -0.62991 0.75071
force_rgl> df(natom) 1.12311 0.09626 0.33008
8005.0000 -168.60930 -164.03885 4.57045 2.03801 -164.03058 517.02303
8010.0000 -169.55311 -165.47441 4.07870 1.97178 -165.12316 460.97306
8015.0000 -169.38609 -165.52809 3.85800 1.93125 -165.79180 433.34483
8020.0000 -168.68527 -165.42612 3.25915 1.96969 -165.15767 464.77804
8025.0000 -169.91076 -166.27200 3.63876 1.90021 -166.30375 432.05058
8030.0000 -169.54160 -164.88139 4.66021 1.95808 -165.34912 487.18263
8035.0000 -169.44132 -165.44951 3.99181 1.99724 -164.70326 514.32008
8040.0000 -171.02322 -167.07916 3.94406 1.91395 -166.07714 446.79817
8045.0000 -168.88652 -165.40149 3.48503 1.88852 -166.49665 423.57581
8050.0000 -169.85001 -165.62381 4.22619 1.93196 -165.78013 444.99526
8055.0000 -169.11968 -165.18000 3.93968 1.96295 -165.26879 475.55514
8060.0000 -169.77109 -165.49546 4.27564 1.94319 -165.59480 449.73752
8065.0000 -169.41577 -165.67897 3.73681 1.93038 -165.80617 421.06670
8070.0000 -169.87018 -165.77593 4.09425 1.93200 -165.77936 434.19929
8075.0000 -169.17250 -164.93141 4.24109 1.97115 -165.13349 453.16622
8080.0000 -169.91369 -165.09848 4.81521 2.00506 -164.57419 491.85415
8085.0000 -169.93534 -165.91175 4.02359 1.95968 -165.32273 469.29945
8090.0000 -169.40546 -165.41797 3.98749 1.94564 -165.55436 459.08587
8095.0000 -169.46419 -165.27170 4.19249 1.97933 -164.99868 479.78214
8100.0000 -169.04516 -165.04902 3.99614 1.94410 -165.57973 460.70997
8105.0000 -169.19838 -164.63233 4.56606 1.97884 -165.00666 488.30684
8110.0000 -169.60324 -164.80884 4.79440 1.98766 -164.86121 498.01161
8115.0000 -169.82807 -164.96722 4.86085 1.97868 -165.00941 489.05973
8120.0000 -170.31614 -165.76731 4.54883 1.96993 -165.15363 487.65354
8125.0000 -169.52348 -165.06397 4.45952 1.96147 -165.29318 472.12064
8130.0000 -169.35309 -164.88468 4.46841 1.96384 -165.25417 479.93437
8135.0000 -169.98463 -165.70053 4.28410 1.96341 -165.26129 476.52091
8140.0000 -169.38528 -164.68514 4.70013 1.97631 -165.04840 487.15218
8145.0000 -169.07133 -165.23241 3.83892 1.97324 -165.09903 481.40687
8150.0000 -169.73758 -165.24064 4.49694 1.96561 -165.22501 470.51057
8155.0000 -169.09177 -165.09988 3.99189 1.97264 -165.10896 474.19281
8160.0000 -169.39890 -165.11594 4.28296 1.96426 -165.24721 475.54739
8165.0000 -168.98157 -164.72077 4.26079 1.98475 -164.90923 480.03575
8170.0000 -169.12843 -164.59497 4.53345 2.01404 -164.42602 510.88355
8175.0000 -169.41954 -164.77108 4.64846 1.98924 -164.83508 489.29060
8180.0000 -169.61250 -165.36643 4.24607 1.98984 -164.82528 493.64197
8185.0000 -168.90773 -164.66693 4.24080 1.97083 -165.13881 474.02091
8190.0000 -169.47989 -165.65736 3.82253 1.97849 -165.01243 494.57618
8195.0000 -169.54186 -165.98298 3.55888 1.91397 -166.07684 432.24493
8200.0000 -169.69890 -166.00838 3.69053 1.92796 -165.84606 441.69721
8205.0000 -169.15740 -164.67951 4.47789 1.93312 -165.76097 447.59554
8210.0000 -169.15048 -165.80068 3.34981 1.99944 -164.66696 493.14137
8215.0000 -169.91448 -166.08979 3.82469 1.93232 -165.77410 456.34602
8220.0000 -169.80679 -166.27970 3.52710 1.87764 -166.67612 404.26018
8225.0000 -170.11062 -166.66538 3.44524 1.88879 -166.49220 421.07871
8230.0000 -168.96896 -165.50710 3.46185 1.90372 -166.24597 428.01946
8235.0000 -169.50380 -165.04782 4.45598 1.98724 -164.86816 475.85619
8240.0000 -169.00914 -165.42189 3.58725 1.94720 -165.52857 451.83491
8245.0000 -169.67014 -165.76188 3.90826 1.94084 -165.63356 428.76727
8250.0000 -169.59808 -164.88806 4.71003 1.94967 -165.48785 438.00665
FREEZING PROCESS: loop number 34 T-loop= 430.00000000000000
main_MD> interactions number 34 at Temperature= 430.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27966 -1.85597 0.53461
force_rgl> df(natom) 0.69549 -1.39924 -2.99059
8255.0000 -169.06899 -164.55630 4.51269 2.00818 -164.52275 473.44847
8260.0000 -168.99860 -164.90028 4.09833 1.99727 -164.70266 478.64778
8265.0000 -168.99511 -165.24422 3.75089 1.96196 -165.28520 445.70490
8270.0000 -168.08066 -164.25413 3.82653 1.98866 -164.84464 447.89819
8275.0000 -169.33855 -165.76239 3.57616 1.97975 -164.99166 428.37407
8280.0000 -168.93184 -165.20770 3.72414 1.95667 -165.37245 417.51722
8285.0000 -168.31351 -164.83079 3.48272 1.96496 -165.23567 431.33573
8290.0000 -168.95183 -165.09558 3.85625 1.96697 -165.20257 448.52359
8295.0000 -170.38390 -166.11317 4.27073 1.94243 -165.60734 442.36269
8300.0000 -168.88181 -164.89124 3.99058 1.93177 -165.78318 428.93546
8305.0000 -169.11773 -165.37806 3.73967 1.95842 -165.34349 454.89740
8310.0000 -169.78585 -166.02252 3.76333 1.94118 -165.62801 449.99163
8315.0000 -169.78083 -166.32248 3.45834 1.93795 -165.68117 431.29046
8320.0000 -169.92104 -165.87149 4.04955 1.90580 -166.21161 407.37427
8325.0000 -169.00451 -165.16923 3.83528 1.93971 -165.65217 435.69359
8330.0000 -168.83844 -164.96362 3.87481 1.95206 -165.44842 445.77655
8335.0000 -169.43093 -165.49500 3.93593 1.94556 -165.55564 431.25882
8340.0000 -169.32685 -165.98918 3.33767 1.91972 -165.98199 428.64780
8345.0000 -169.86438 -166.68469 3.17969 1.88002 -166.63684 398.23173
8350.0000 -169.94141 -166.44554 3.49587 1.90787 -166.17746 421.74630
8355.0000 -169.48992 -166.20386 3.28606 1.90880 -166.16202 423.14361
8360.0000 -170.23386 -167.02658 3.20729 1.87541 -166.71287 388.09502
8365.0000 -170.59309 -167.46786 3.12523 1.86122 -166.94695 384.58978
8370.0000 -169.77625 -165.98201 3.79424 1.88440 -166.56467 404.21199
8375.0000 -169.56519 -165.91118 3.65401 1.92210 -165.94270 423.51321
8380.0000 -169.51953 -165.45273 4.06679 1.92837 -165.83934 438.46056
8385.0000 -169.49884 -165.37242 4.12642 1.92717 -165.85906 445.87981
8390.0000 -169.68186 -166.03346 3.64841 1.93633 -165.70799 448.00959
8395.0000 -169.85703 -166.54896 3.30807 1.88588 -166.54016 402.67791
8400.0000 -169.68042 -166.32228 3.35814 1.87143 -166.77850 393.51106
8405.0000 -170.00532 -166.61526 3.39005 1.89122 -166.45208 399.87035
8410.0000 -170.30871 -166.86360 3.44511 1.89221 -166.43570 417.09605
8415.0000 -169.19310 -165.71847 3.47463 1.90697 -166.19236 423.43362
8420.0000 -169.18769 -164.61704 4.57065 1.97482 -165.07299 478.78894
8425.0000 -169.11776 -164.57482 4.54295 2.01060 -164.48277 510.73657
8430.0000 -169.77267 -165.85015 3.92252 1.96981 -165.15563 474.26152
8435.0000 -169.68511 -165.80412 3.88099 1.95081 -165.46910 461.89607
8440.0000 -169.78104 -166.14577 3.63527 1.90990 -166.14393 424.49442
8445.0000 -169.71623 -165.95668 3.75955 1.90762 -166.18154 424.23934
8450.0000 -170.51878 -166.52906 3.98972 1.87791 -166.67160 394.04113
8455.0000 -169.08822 -164.94591 4.14231 1.94220 -165.61108 445.41174
8460.0000 -169.82330 -166.35078 3.47252 1.93293 -165.76411 442.70807
8465.0000 -170.14413 -167.08423 3.05990 1.87657 -166.69372 404.18395
8470.0000 -169.47870 -166.74335 2.73534 1.85991 -166.96868 384.25199
8475.0000 -169.41619 -166.09155 3.32464 1.88413 -166.56899 399.35712
8480.0000 -169.47078 -165.83134 3.63944 1.93304 -165.76223 436.88680
8485.0000 -169.79480 -165.88654 3.90826 1.95122 -165.46228 460.90737
8490.0000 -169.41209 -165.48196 3.93013 1.90752 -166.18327 417.55149
8495.0000 -169.28980 -165.80523 3.48458 1.91354 -166.08384 428.05479
8500.0000 -169.54541 -165.17268 4.37273 1.97061 -165.14255 490.38365
FREEZING PROCESS: loop number 35 T-loop= 405.00000000000000
main_MD> interactions number 35 at Temperature= 405.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32425 1.55472 -1.08098
force_rgl> df(natom) -0.02577 -2.04001 1.25704
8505.0000 -169.79031 -165.84280 3.94751 1.92930 -165.82388 457.78309
8510.0000 -169.93104 -166.52589 3.40515 1.87318 -166.74975 410.45344
8515.0000 -169.53114 -166.46722 3.06392 1.89598 -166.37360 426.46758
8520.0000 -169.93664 -166.48354 3.45310 1.90031 -166.30213 425.89136
8525.0000 -169.79178 -166.10321 3.68857 1.89084 -166.45835 420.30619
8530.0000 -170.34499 -166.41762 3.92738 1.87409 -166.73472 410.58699
8535.0000 -170.35032 -166.95614 3.39418 1.86304 -166.91696 398.56903
8540.0000 -170.30409 -167.20408 3.10001 1.85275 -167.08678 391.74323
8545.0000 -170.74094 -167.05869 3.68225 1.87609 -166.70170 404.65375
8550.0000 -171.13455 -167.42492 3.70964 1.84147 -167.27280 381.66851
8555.0000 -170.01049 -166.55339 3.45710 1.88753 -166.51305 420.24631
8560.0000 -170.96710 -167.74676 3.22034 1.85106 -167.11451 385.06562
8565.0000 -170.65714 -167.42317 3.23397 1.83405 -167.39517 375.65855
8570.0000 -170.27577 -166.84022 3.43555 1.86726 -166.84736 398.77489
8575.0000 -169.58311 -165.84230 3.74080 1.93149 -165.78783 459.17578
8580.0000 -170.26656 -166.08862 4.17794 1.89832 -166.33499 428.76689
8585.0000 -170.34287 -167.04359 3.29928 1.91619 -166.04023 445.79235
8590.0000 -170.91151 -167.89332 3.01819 1.83255 -167.41995 371.17546
8595.0000 -170.59126 -167.55514 3.03612 1.80965 -167.79766 354.13815
8600.0000 -170.32315 -166.77887 3.54427 1.84905 -167.14768 378.25441
8605.0000 -169.79871 -166.35523 3.44348 1.88888 -166.49068 401.54272
8610.0000 -170.40289 -166.93472 3.46816 1.86778 -166.83880 389.71894
8615.0000 -169.67128 -166.26169 3.40959 1.88186 -166.60659 382.15836
8620.0000 -169.96786 -166.31792 3.64994 1.89451 -166.39787 397.23671
8625.0000 -170.14558 -166.38688 3.75870 1.87877 -166.65753 396.64499
8630.0000 -170.36168 -167.37302 2.98866 1.83667 -167.35197 362.10333
8635.0000 -170.78347 -167.86796 2.91552 1.82517 -167.54165 353.50954
8640.0000 -170.17470 -167.27265 2.90205 1.83296 -167.41318 354.98054
8645.0000 -170.59663 -166.62274 3.97389 1.86526 -166.88028 395.41290
8650.0000 -170.46986 -167.08597 3.38388 1.87270 -166.75762 393.48451
8655.0000 -170.15621 -166.23841 3.91780 1.87604 -166.70247 401.11806
8660.0000 -171.06555 -167.07067 3.99488 1.88882 -166.49162 415.62871
8665.0000 -170.07512 -166.58530 3.48982 1.84896 -167.14927 387.58264
8670.0000 -170.09650 -166.46139 3.63511 1.88899 -166.48890 419.64625
8675.0000 -170.31489 -166.59599 3.71890 1.88412 -166.56924 412.48015
8680.0000 -170.42229 -167.21209 3.21020 1.87501 -166.71949 414.75505
8685.0000 -169.50757 -165.59495 3.91262 1.87776 -166.67415 418.11650
8690.0000 -170.20752 -166.25898 3.94854 1.93771 -165.68528 457.15943
8695.0000 -170.57075 -167.20566 3.36509 1.87743 -166.67961 400.93631
8700.0000 -170.92666 -167.80041 3.12625 1.83627 -167.35865 362.56690
8705.0000 -170.41462 -166.95738 3.45724 1.83879 -167.31702 365.68555
8710.0000 -169.79098 -166.14600 3.64498 1.89184 -166.44195 401.05360
8715.0000 -169.47597 -165.89119 3.58478 1.90089 -166.29258 423.51340
8720.0000 -170.77091 -167.14799 3.62292 1.86905 -166.81776 407.10913
8725.0000 -170.08524 -166.76127 3.32397 1.89650 -166.36499 430.76067
8730.0000 -171.13861 -167.50319 3.63541 1.83713 -167.34432 385.00064
8735.0000 -170.43752 -167.58121 2.85630 1.81104 -167.77481 357.50759
8740.0000 -170.47460 -167.44561 3.02899 1.82049 -167.61881 365.18854
8745.0000 -170.64166 -166.84891 3.79274 1.84790 -167.16676 390.14356
8750.0000 -170.63039 -167.03387 3.59652 1.86343 -166.91052 402.35935
FREEZING PROCESS: loop number 36 T-loop= 380.00000000000000
main_MD> interactions number 36 at Temperature= 380.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.46308 -2.30281 -0.86158
force_rgl> df(natom) 0.35641 -2.26125 -2.72024
8755.0000 -170.45606 -166.68526 3.77080 1.85824 -166.99609 397.26169
8760.0000 -170.52170 -167.42880 3.09290 1.85268 -167.08789 397.42167
8765.0000 -170.90806 -167.63634 3.27172 1.82355 -167.56845 373.59081
8770.0000 -171.03628 -168.11221 2.92408 1.81822 -167.65633 366.50302
8775.0000 -170.76899 -167.17584 3.59316 1.83845 -167.32256 384.34139
8780.0000 -171.10710 -167.50583 3.60127 1.84502 -167.21419 394.75069
8785.0000 -170.92466 -167.20469 3.71997 1.83166 -167.43462 381.24279
8790.0000 -170.04669 -166.91607 3.13061 1.84390 -167.23279 389.46396
8795.0000 -170.32030 -167.42922 2.89109 1.83024 -167.45797 379.16712
8800.0000 -170.50582 -167.34032 3.16550 1.83970 -167.30193 388.57289
8805.0000 -170.98394 -167.43728 3.54666 1.85645 -167.02570 400.24666
8810.0000 -171.01601 -167.20919 3.80682 1.82568 -167.53328 369.94057
8815.0000 -170.47601 -167.88815 2.58786 1.81758 -167.66695 363.93383
8820.0000 -170.86610 -167.51665 3.34944 1.80994 -167.79288 358.23692
8825.0000 -170.85682 -167.70419 3.15263 1.81272 -167.74704 363.36757
8830.0000 -170.90234 -167.49706 3.40528 1.80504 -167.87370 353.85032
8835.0000 -170.86977 -167.68620 3.18357 1.81436 -167.71996 365.62917
8840.0000 -170.68067 -167.65733 3.02334 1.81872 -167.64814 363.48849
8845.0000 -170.86780 -168.02652 2.84129 1.81633 -167.68743 369.57304
8850.0000 -170.85323 -168.03511 2.81812 1.78438 -168.21455 339.27537
8855.0000 -170.43954 -166.96090 3.47864 1.84667 -167.18699 391.79369
8860.0000 -170.44613 -167.03342 3.41272 1.85173 -167.10361 390.66150
8865.0000 -170.27291 -166.90311 3.36980 1.85574 -167.03747 394.87859
8870.0000 -171.02122 -167.60381 3.41740 1.84124 -167.27665 387.61529
8875.0000 -170.25530 -166.96958 3.28572 1.84549 -167.20648 391.01977
8880.0000 -170.97075 -168.20111 2.76965 1.83348 -167.40453 380.57832
8885.0000 -170.66708 -167.57107 3.09601 1.83176 -167.43299 377.10734
8890.0000 -170.76469 -167.86280 2.90189 1.79382 -168.05882 349.55406
8895.0000 -170.54567 -167.08317 3.46250 1.82297 -167.57798 368.66738
8900.0000 -170.97433 -167.91721 3.05712 1.81957 -167.63408 365.94547
8905.0000 -171.11790 -167.77110 3.34680 1.78308 -168.23600 335.44594
8910.0000 -170.43644 -167.39202 3.04442 1.79732 -168.00109 344.87509
8915.0000 -170.85858 -167.76921 3.08937 1.81553 -167.70076 359.15550
8920.0000 -169.83410 -166.66507 3.16903 1.84353 -167.23887 371.62284
8925.0000 -170.60959 -167.26963 3.33995 1.86002 -166.96674 382.76484
8930.0000 -170.25909 -166.90768 3.35141 1.86712 -166.84961 392.49899
8935.0000 -170.49511 -166.92617 3.56894 1.87231 -166.76408 394.26209
8940.0000 -170.23612 -167.11535 3.12076 1.84148 -167.27268 369.51310
8945.0000 -170.74045 -167.90419 2.83626 1.84694 -167.18250 369.81108
8950.0000 -170.04866 -167.20904 2.83962 1.80853 -167.81614 328.33699
8955.0000 -170.40378 -167.27615 3.12763 1.86954 -166.80968 381.28687
8960.0000 -170.54747 -167.97321 2.57427 1.81870 -167.64846 344.88490
8965.0000 -170.29726 -167.05677 3.24049 1.83317 -167.40976 362.40138
8970.0000 -169.95848 -167.05902 2.89946 1.85653 -167.02440 377.70250
8975.0000 -169.96941 -167.20663 2.76278 1.85015 -167.12968 377.52961
8980.0000 -171.38889 -168.15480 3.23409 1.81285 -167.74492 345.00499
8985.0000 -171.28193 -168.22200 3.05993 1.80893 -167.80951 342.41894
8990.0000 -170.90602 -167.42225 3.48376 1.82189 -167.59586 356.50034
8995.0000 -170.87082 -167.61179 3.25902 1.83752 -167.33789 369.42986
9000.0000 -170.38579 -166.78627 3.59952 1.83303 -167.41205 362.19689
FREEZING PROCESS: loop number 37 T-loop= 355.00000000000000
main_MD> interactions number 37 at Temperature= 355.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33221 -0.46471 -0.98290
force_rgl> df(natom) -0.12586 0.16226 -3.70667
9005.0000 -170.38466 -167.21992 3.16475 1.85861 -166.99000 385.95502
9010.0000 -170.67215 -168.11354 2.55861 1.81648 -167.68496 348.58057
9015.0000 -170.87531 -168.20833 2.66698 1.79965 -167.96270 339.86249
9020.0000 -170.62398 -167.68859 2.93538 1.79828 -167.98520 338.39816
9025.0000 -170.57495 -166.93712 3.63783 1.86006 -166.96611 395.46106
9030.0000 -170.69006 -167.47062 3.21944 1.83270 -167.41739 371.29827
9035.0000 -170.84256 -167.84427 2.99829 1.82678 -167.51507 363.10983
9040.0000 -170.31621 -167.55699 2.75922 1.81901 -167.64334 354.01188
9045.0000 -170.98567 -168.18019 2.80548 1.79705 -168.00554 338.66075
9050.0000 -171.25639 -168.36576 2.89063 1.78861 -168.14479 333.96680
9055.0000 -170.87195 -167.48009 3.39186 1.79502 -168.03900 338.39128
9060.0000 -170.81858 -167.47872 3.33985 1.80776 -167.82892 347.10696
9065.0000 -171.02042 -168.18267 2.83774 1.82964 -167.46801 366.72366
9070.0000 -170.65266 -167.63220 3.02046 1.79524 -168.03534 336.92857
9075.0000 -171.11500 -167.41752 3.69748 1.81293 -167.74361 354.86102
9080.0000 -171.09141 -167.57648 3.51493 1.80914 -167.80611 346.33361
9085.0000 -171.91932 -168.68766 3.23165 1.78696 -168.17196 334.12786
9090.0000 -171.03112 -167.86675 3.16437 1.78575 -168.19198 330.84979
9095.0000 -171.13067 -167.59002 3.54065 1.80807 -167.82383 345.29937
9100.0000 -171.41141 -168.36356 3.04785 1.82955 -167.46945 367.96746
9105.0000 -171.22139 -168.42655 2.79484 1.76815 -168.48222 313.72931
9110.0000 -171.21792 -168.14643 3.07149 1.76817 -168.48194 315.46162
9115.0000 -170.96083 -168.44202 2.51880 1.80041 -167.95017 345.93787
9120.0000 -171.15975 -168.52534 2.63441 1.77971 -168.29163 319.77558
9125.0000 -170.64816 -168.08528 2.56288 1.78692 -168.17267 324.13703
9130.0000 -170.78525 -167.54403 3.24121 1.81004 -167.79124 352.95909
9135.0000 -170.37793 -167.64876 2.72917 1.81844 -167.65263 358.32097
9140.0000 -170.58631 -167.26180 3.32451 1.83684 -167.34915 373.60199
9145.0000 -170.64128 -166.97958 3.66171 1.86412 -166.89914 395.94018
9150.0000 -170.74943 -167.33033 3.41910 1.83366 -167.40155 374.15467
9155.0000 -170.84618 -168.18326 2.66293 1.81178 -167.76256 357.22117
9160.0000 -170.77623 -167.48625 3.28997 1.80411 -167.88912 347.72855
9165.0000 -170.96978 -167.71654 3.25324 1.80694 -167.84241 351.17988
9170.0000 -170.98037 -168.15144 2.82893 1.78669 -168.17637 333.37301
9175.0000 -170.92914 -168.12978 2.79936 1.78928 -168.13366 335.35706
9180.0000 -171.18624 -167.97729 3.20894 1.78767 -168.16033 332.48024
9185.0000 -170.66805 -167.40973 3.25832 1.81356 -167.73321 350.86554
9190.0000 -170.48515 -167.24938 3.23577 1.83145 -167.43806 372.84473
9195.0000 -170.99240 -167.92326 3.06914 1.82716 -167.50885 365.02364
9200.0000 -170.91533 -168.17104 2.74429 1.78779 -168.15833 332.28017
9205.0000 -171.24782 -168.19251 3.05531 1.80296 -167.90798 348.31110
9210.0000 -170.57738 -167.72170 2.85568 1.78543 -168.19718 333.34564
9215.0000 -170.65888 -167.54951 3.10937 1.83480 -167.38277 377.47502
9220.0000 -170.56567 -167.59784 2.96783 1.81915 -167.64095 361.25057
9225.0000 -170.43586 -167.19766 3.23821 1.83133 -167.44005 369.07121
9230.0000 -170.57705 -167.10377 3.47328 1.86057 -166.95775 398.97358
9235.0000 -170.58571 -167.73760 2.84810 1.82744 -167.50424 371.04196
9240.0000 -170.89053 -167.85537 3.03516 1.82534 -167.53894 366.23510
9245.0000 -170.68653 -167.28170 3.40483 1.82115 -167.60806 364.60721
9250.0000 -171.34222 -168.17405 3.16817 1.82549 -167.53638 368.56305
FREEZING PROCESS: loop number 38 T-loop= 330.00000000000000
main_MD> interactions number 38 at Temperature= 330.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17684 -1.03573 1.83590
force_rgl> df(natom) -1.94423 0.72494 -1.17158
9255.0000 -170.96783 -167.71480 3.25303 1.81071 -167.78020 351.77428
9260.0000 -170.60833 -168.13370 2.47463 1.79600 -168.02289 338.25998
9265.0000 -170.94179 -168.27428 2.66751 1.77190 -168.42041 319.52591
9270.0000 -171.00406 -168.37839 2.62567 1.78891 -168.13990 329.48081
9275.0000 -171.12396 -168.30171 2.82226 1.77043 -168.44466 318.55548
9280.0000 -170.73545 -168.13483 2.60061 1.77170 -168.42373 318.67993
9285.0000 -171.19795 -168.51591 2.68204 1.77904 -168.30270 323.92372
9290.0000 -171.38767 -168.36270 3.02497 1.76421 -168.54734 312.29996
9295.0000 -170.76675 -168.03422 2.73252 1.78767 -168.16023 329.11398
9300.0000 -170.61564 -168.01083 2.60480 1.78903 -168.13793 327.92667
9305.0000 -170.67085 -167.86443 2.80642 1.80709 -167.83999 347.53553
9310.0000 -171.21625 -167.90564 3.31061 1.83206 -167.42803 369.92723
9315.0000 -171.23236 -168.51579 2.71658 1.80841 -167.81815 353.71257
9320.0000 -171.67621 -168.98463 2.69158 1.74498 -168.86449 293.43009
9325.0000 -170.97364 -167.78822 3.18542 1.77490 -168.37097 319.50640
9330.0000 -171.31388 -168.27763 3.03624 1.79957 -167.96400 347.05133
9335.0000 -171.04302 -168.43312 2.60990 1.77220 -168.41542 320.23319
9340.0000 -171.52104 -167.94147 3.57957 1.80005 -167.95614 343.43605
9345.0000 -170.93120 -167.87079 3.06041 1.81378 -167.72951 353.04732
9350.0000 -170.84675 -168.02540 2.82134 1.79582 -168.02584 333.76735
9355.0000 -170.59629 -168.28400 2.31229 1.77662 -168.34253 304.23057
9360.0000 -170.25435 -167.96535 2.28900 1.79008 -168.12047 312.39533
9365.0000 -171.23521 -168.05826 3.17695 1.78909 -168.13686 310.17152
9370.0000 -170.63838 -167.67216 2.96622 1.80974 -167.79621 333.31316
9375.0000 -170.93504 -168.11864 2.81640 1.81730 -167.67148 341.52381
9380.0000 -169.91778 -167.16419 2.75359 1.81116 -167.77274 335.09624
9385.0000 -170.47705 -167.81347 2.66358 1.84169 -167.26911 356.72593
9390.0000 -170.78088 -167.79478 2.98610 1.81266 -167.74802 336.70314
9395.0000 -171.20528 -168.77990 2.42537 1.77279 -168.40581 311.80170
9400.0000 -171.66220 -168.79592 2.86628 1.75105 -168.76437 297.53420
9405.0000 -171.00711 -168.27644 2.73067 1.76973 -168.45623 310.88096
9410.0000 -171.10706 -168.32657 2.78049 1.78506 -168.20328 322.37942
9415.0000 -170.90728 -167.92017 2.98712 1.80345 -167.89999 338.84710
9420.0000 -170.69577 -168.09068 2.60509 1.79194 -168.08988 332.14989
9425.0000 -171.19535 -168.69048 2.50487 1.77201 -168.41866 313.34872
9430.0000 -170.77172 -168.12674 2.64498 1.75496 -168.69984 294.07244
9435.0000 -170.86231 -168.04418 2.81813 1.80850 -167.81664 342.36297
9440.0000 -170.89274 -167.76363 3.12911 1.81425 -167.72175 347.96829
9445.0000 -170.33375 -167.03900 3.29475 1.82041 -167.62014 355.47770
9450.0000 -170.98045 -168.33721 2.64325 1.79646 -168.01521 324.27372
9455.0000 -170.88733 -167.80844 3.07889 1.79223 -168.08505 328.22751
9460.0000 -170.18971 -167.18476 3.00494 1.82023 -167.62324 361.32227
9465.0000 -170.20689 -166.69152 3.51537 1.85160 -167.10576 388.04249
9470.0000 -170.61283 -167.43991 3.17292 1.87199 -166.76926 399.31572
9475.0000 -170.90015 -168.05158 2.84856 1.81310 -167.74074 348.87621
9480.0000 -170.92043 -167.78314 3.13729 1.79143 -168.09833 331.66272
9485.0000 -170.91200 -167.40772 3.50429 1.81925 -167.63929 362.44432
9490.0000 -171.31322 -168.60695 2.70627 1.79084 -168.10805 335.94035
9495.0000 -171.29934 -168.57936 2.71998 1.76421 -168.54722 308.09031
9500.0000 -171.04688 -168.07878 2.96810 1.79689 -168.00811 338.10153
FREEZING PROCESS: loop number 39 T-loop= 305.00000000000000
main_MD> interactions number 39 at Temperature= 305.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.50763 0.34119 0.70376
force_rgl> df(natom) -1.67558 -1.90350 -0.98469
9505.0000 -171.01318 -168.08487 2.92830 1.78932 -168.13304 330.62189
9510.0000 -171.62712 -168.73309 2.89402 1.76638 -168.51149 314.75161
9515.0000 -171.41810 -168.92162 2.49647 1.73562 -169.01899 284.36627
9520.0000 -171.11059 -168.49927 2.61132 1.75416 -168.71305 300.19246
9525.0000 -171.17963 -168.62820 2.55143 1.77287 -168.40440 314.85714
9530.0000 -171.26562 -168.18377 3.08185 1.77046 -168.44415 320.77449
9535.0000 -171.27436 -168.71641 2.55795 1.76379 -168.55428 312.92537
9540.0000 -171.08957 -168.57705 2.51252 1.75925 -168.62915 307.30936
9545.0000 -171.35946 -168.55966 2.79980 1.76426 -168.54643 309.69096
9550.0000 -171.53525 -169.11555 2.41970 1.75615 -168.68030 304.92720
9555.0000 -171.30106 -168.56642 2.73464 1.73567 -169.01807 284.09753
9560.0000 -171.23023 -169.21661 2.01362 1.74778 -168.81826 295.55407
9565.0000 -171.36607 -168.85693 2.50914 1.73835 -168.97392 292.96139
9570.0000 -171.18148 -168.66694 2.51454 1.76359 -168.55755 308.81358
9575.0000 -170.87471 -168.57733 2.29737 1.75823 -168.64586 303.03539
9580.0000 -170.97969 -168.31502 2.66467 1.75911 -168.63135 299.90600
9585.0000 -171.58013 -168.84509 2.73504 1.77408 -168.38446 317.34074
9590.0000 -171.60485 -168.92764 2.67721 1.76069 -168.60532 307.90358
9595.0000 -171.67097 -169.25388 2.41710 1.73421 -169.04211 288.82916
9600.0000 -171.47436 -169.34867 2.12569 1.72951 -169.11974 277.54239
9605.0000 -171.04704 -168.58592 2.46111 1.72611 -169.17574 276.84653
9610.0000 -171.13046 -168.70019 2.43026 1.77060 -168.44187 317.68549
9615.0000 -171.49609 -168.81803 2.67806 1.74571 -168.85252 294.26657
9620.0000 -170.79423 -167.92530 2.86893 1.77009 -168.45029 315.31079
9625.0000 -170.60453 -167.92921 2.67531 1.81478 -167.71304 353.55071
9630.0000 -171.21550 -168.02997 3.18553 1.79508 -168.03800 336.67984
9635.0000 -170.93696 -168.05139 2.88557 1.78663 -168.17749 332.76220
9640.0000 -170.92088 -168.60136 2.31952 1.76637 -168.51159 314.21219
9645.0000 -171.10689 -168.79446 2.31243 1.76350 -168.55906 307.76753
9650.0000 -170.94908 -168.36692 2.58216 1.75932 -168.62803 308.64668
9655.0000 -171.09665 -168.18564 2.91101 1.77653 -168.34412 320.37956
9660.0000 -171.20208 -168.37885 2.82323 1.76257 -168.57427 306.64458
9665.0000 -171.60217 -169.11743 2.48474 1.74442 -168.87369 290.82856
9670.0000 -170.88653 -168.44470 2.44183 1.74735 -168.82536 296.30432
9675.0000 -171.35973 -169.09499 2.26474 1.75426 -168.71137 300.97901
9680.0000 -171.49704 -169.01913 2.47791 1.74766 -168.82027 295.96855
9685.0000 -171.49506 -168.46193 3.03313 1.74883 -168.80104 297.60740
9690.0000 -171.29922 -168.68938 2.60984 1.76810 -168.48304 317.65258
9695.0000 -171.14153 -168.71168 2.42985 1.75461 -168.70571 299.92482
9700.0000 -170.86478 -167.96510 2.89967 1.77301 -168.40214 316.17643
9705.0000 -171.03047 -168.65636 2.37411 1.76876 -168.47216 306.08712
9710.0000 -170.92639 -167.85372 3.07268 1.78087 -168.27248 322.14201
9715.0000 -171.06816 -168.06804 3.00012 1.81424 -167.72200 356.04200
9720.0000 -171.16826 -168.19877 2.96949 1.78189 -168.25556 325.80954
9725.0000 -170.77267 -167.81024 2.96244 1.77233 -168.41340 323.81766
9730.0000 -170.88887 -167.95828 2.93059 1.80789 -167.82679 348.32467
9735.0000 -171.84768 -169.24696 2.60072 1.75097 -168.76564 297.77139
9740.0000 -171.48328 -168.99799 2.48529 1.73840 -168.97299 284.45800
9745.0000 -171.13373 -168.89108 2.24265 1.74663 -168.83728 295.85771
9750.0000 -171.05447 -168.42082 2.63365 1.74960 -168.78826 296.79338
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 34.7579404 [s].
main_MD> Deallocating global variables
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