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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_70/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_70.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 = 70 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: 70 7000
main_MD> Size of nv and nvoiz: 70 7000
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 = 70
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> 2.2388554414818886E-002 -1.4623695044033777E-002 4.1127240428423507E-002 initial drift of cluster / NP1 for coalescence
init> 0.28722453663131431 0.32346065976425969 0.30927679898530608 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8336962997713316E-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) -0.41502 0.09638 2.80669
force_rgl> df(natom) 2.06298 -1.89302 -0.45152
preparo> THERMALIZATION PROCESS AT 1271.6600199894372
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -146.58948115760845 13.245462091853122 -159.83494324946156 7.4851664770880539E-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= 1250.0000000000000
main_MD> interactions number 1 at Temperature= 1250.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15119 2.75963 -1.32152
force_rgl> df(natom) -1.56018 3.13145 0.06918
5.0000 -162.41430 -147.79915 14.61515 3.44617 -147.96685 1373.85481
10.0000 -160.33641 -147.95682 12.37959 3.42593 -148.31068 1390.62087
15.0000 -165.77484 -152.52489 13.24996 3.37520 -149.17223 1385.65607
20.0000 -162.42163 -151.60698 10.81465 3.19739 -152.19243 1246.63248
25.0000 -163.03550 -153.69369 9.34181 3.21109 -151.95973 1258.28839
30.0000 -162.83934 -152.87772 9.96162 3.16131 -152.80521 1261.91706
35.0000 -165.28600 -154.30555 10.98045 3.15100 -152.98031 1165.43737
40.0000 -164.52464 -154.34377 10.18087 3.01340 -155.31740 1126.42989
45.0000 -165.46725 -155.47821 9.98905 3.13377 -153.27298 1194.43703
50.0000 -164.43572 -153.55658 10.87914 3.06094 -154.51003 1161.01476
55.0000 -165.85191 -153.73701 12.11490 3.13839 -153.19454 1224.93118
60.0000 -164.84982 -154.49423 10.35558 3.07940 -154.19648 1194.68954
65.0000 -164.01287 -154.32132 9.69154 3.09079 -154.00295 1175.39340
70.0000 -165.02310 -153.86706 11.15604 3.04498 -154.78097 1179.72076
75.0000 -163.06486 -150.50800 12.55686 3.14745 -153.04052 1251.78311
80.0000 -164.46016 -151.67243 12.78773 3.26461 -151.05059 1282.84041
85.0000 -164.56828 -152.54848 12.01980 3.26625 -151.02278 1314.78107
90.0000 -164.24349 -152.67933 11.56416 3.13753 -153.20915 1212.49113
95.0000 -165.01631 -152.17192 12.84439 3.19594 -152.21691 1235.15036
100.0000 -162.26409 -151.97152 10.29257 3.21272 -151.93206 1257.71651
105.0000 -160.84404 -149.23332 11.61071 3.25915 -151.14338 1279.04601
110.0000 -161.18337 -149.51582 11.66755 3.45522 -147.81304 1452.13957
115.0000 -163.56108 -152.55786 11.00321 3.23707 -151.51837 1317.30337
120.0000 -162.72388 -152.32510 10.39879 3.19168 -152.28939 1244.26757
125.0000 -162.58944 -151.59258 10.99686 3.24728 -151.34495 1280.74049
130.0000 -162.07763 -150.07110 12.00653 3.22442 -151.73317 1267.68291
135.0000 -163.02952 -151.12379 11.90573 3.26292 -151.07934 1290.94008
140.0000 -161.28372 -149.84187 11.44185 3.32709 -149.98941 1329.71941
145.0000 -162.86690 -152.33164 10.53526 3.25074 -151.28621 1296.56861
150.0000 -165.10312 -154.32597 10.77715 3.16030 -152.82235 1243.83971
155.0000 -161.49190 -150.92641 10.56549 3.14493 -153.08336 1185.77360
160.0000 -163.70589 -153.94256 9.76333 3.23175 -151.60883 1277.29262
165.0000 -163.28386 -154.91113 8.37273 3.11913 -153.52166 1190.88840
170.0000 -164.04395 -153.32901 10.71494 3.11431 -153.60353 1183.18724
175.0000 -165.41653 -154.33181 11.08471 3.10710 -153.72597 1179.70317
180.0000 -164.72735 -152.11290 12.61445 3.12534 -153.41610 1217.52170
185.0000 -163.55190 -153.52547 10.02643 3.16290 -152.77822 1245.90515
190.0000 -163.34330 -153.67814 9.66516 3.14599 -153.06546 1184.54504
195.0000 -163.85286 -153.25815 10.59472 3.07148 -154.33094 1169.61941
200.0000 -165.40083 -156.02370 9.37713 2.99505 -155.62902 1110.21749
205.0000 -163.37180 -150.97206 12.39973 3.08566 -154.09015 1134.44764
210.0000 -163.80804 -153.49360 10.31445 3.16847 -152.68351 1242.63840
215.0000 -163.32268 -152.99997 10.32271 3.03011 -155.03354 1109.80252
220.0000 -161.53556 -149.01362 12.52194 3.24202 -151.43436 1310.97325
225.0000 -162.21959 -150.41727 11.80232 3.28573 -150.69185 1340.02989
230.0000 -163.20953 -153.48767 9.72186 3.26633 -151.02138 1341.78370
235.0000 -163.99525 -152.65657 11.33868 3.22858 -151.66262 1264.88545
240.0000 -163.86379 -153.69429 10.16950 3.18501 -152.40254 1252.71017
245.0000 -161.36623 -151.66283 9.70340 3.10828 -153.70592 1152.93071
250.0000 -164.49316 -151.74450 12.74866 3.26802 -150.99267 1275.97757
FREEZING PROCESS: loop number 2 T-loop= 1225.0000000000000
main_MD> interactions number 2 at Temperature= 1225.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92989 -0.80589 -1.61926
force_rgl> df(natom) -7.02515 -3.99486 -5.17919
255.0000 -164.73714 -153.08569 11.65145 3.20766 -152.01797 1253.67330
260.0000 -164.38780 -153.16213 11.22567 3.09274 -153.96977 1183.41438
265.0000 -163.94839 -155.18134 8.76704 3.01598 -155.27356 1121.45543
270.0000 -165.52511 -154.54910 10.97601 2.99438 -155.64055 1117.69533
275.0000 -164.67614 -153.53898 11.13716 3.03020 -155.03209 1169.89695
280.0000 -164.53374 -154.43765 10.09608 3.08010 -154.18461 1197.73620
285.0000 -162.44068 -153.03720 9.40347 3.12659 -153.39486 1210.90441
290.0000 -164.98838 -153.74505 11.24333 3.23318 -151.58439 1241.88999
295.0000 -165.73779 -153.94237 11.79542 3.09733 -153.89194 1176.24177
300.0000 -164.93020 -155.89111 9.03909 2.99387 -155.64908 1125.24330
305.0000 -166.62327 -157.10320 9.52008 3.01151 -155.34961 1100.88501
310.0000 -166.36073 -156.97355 9.38718 2.95011 -156.39242 1068.83952
315.0000 -166.86789 -156.30257 10.56532 2.96567 -156.12808 1097.44653
320.0000 -163.45268 -153.72678 9.72590 3.05518 -154.60781 1165.61729
325.0000 -166.58265 -156.11819 10.46446 3.08246 -154.14442 1148.55443
330.0000 -166.80944 -158.10203 8.70741 2.95738 -156.26898 1089.91197
335.0000 -165.14585 -154.75218 10.39367 2.86982 -157.75607 1020.10392
340.0000 -163.80359 -154.03189 9.77169 3.05436 -154.62165 1181.68022
345.0000 -164.72331 -155.94744 8.77588 3.06785 -154.39261 1176.44881
350.0000 -164.56085 -153.64339 10.91745 3.09959 -153.85348 1191.13008
355.0000 -165.96457 -154.43310 11.53147 3.11730 -153.55261 1207.68830
360.0000 -165.55279 -153.48535 12.06745 3.07666 -154.24293 1146.77921
365.0000 -163.95766 -152.16085 11.79681 3.13816 -153.19840 1203.28215
370.0000 -165.37142 -155.29056 10.08087 3.10579 -153.74820 1207.59534
375.0000 -166.56992 -154.22512 12.34480 3.00522 -155.45642 1131.05778
380.0000 -163.68058 -153.86628 9.81430 3.06229 -154.48696 1149.87447
385.0000 -165.76838 -154.93010 10.83828 3.05557 -154.60111 1170.56565
390.0000 -164.96778 -153.10873 11.85906 3.06327 -154.47039 1156.20785
395.0000 -165.23121 -153.75053 11.48068 3.14528 -153.07749 1231.02191
400.0000 -165.74230 -154.57986 11.16243 3.07593 -154.25531 1180.20366
405.0000 -164.72858 -152.13961 12.58897 3.17422 -152.58591 1222.76613
410.0000 -163.51167 -150.54778 12.96389 3.22561 -151.71303 1282.43103
415.0000 -164.29968 -153.04725 11.25243 3.20932 -151.98965 1272.77433
420.0000 -164.19730 -151.67585 12.52145 3.18143 -152.46343 1252.28482
425.0000 -162.71308 -151.15651 11.55656 3.24019 -151.46544 1263.40382
430.0000 -163.79787 -150.60516 13.19271 3.26843 -150.98566 1277.45278
435.0000 -162.20733 -150.66912 11.53821 3.29365 -150.55730 1330.63352
440.0000 -163.33752 -151.98264 11.35488 3.23480 -151.55690 1281.38534
445.0000 -163.41511 -151.62678 11.78833 3.25698 -151.18014 1272.71815
450.0000 -162.04036 -150.46939 11.57098 3.24318 -151.41463 1292.37327
455.0000 -162.35427 -149.71064 12.64363 3.32212 -150.07384 1325.45764
460.0000 -162.24632 -152.06558 10.18074 3.33136 -149.91691 1355.06534
465.0000 -164.00460 -150.85404 13.15056 3.29441 -150.54445 1293.56271
470.0000 -161.14321 -149.21736 11.92585 3.33260 -149.89580 1318.77877
475.0000 -163.13010 -150.60765 12.52246 3.27723 -150.83625 1319.65012
480.0000 -164.77471 -152.44322 12.33149 3.23353 -151.57849 1237.35855
485.0000 -166.02893 -154.94157 11.08736 3.08000 -154.18626 1196.86492
490.0000 -162.47147 -150.08932 12.38215 3.15257 -152.95355 1207.04771
495.0000 -163.27871 -151.82068 11.45803 3.28959 -150.62626 1361.16876
500.0000 -162.14862 -150.13731 12.01131 3.32740 -149.98416 1344.77835
FREEZING PROCESS: loop number 3 T-loop= 1200.0000000000000
main_MD> interactions number 3 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65144 -0.44465 2.77329
force_rgl> df(natom) 0.95266 -5.64887 -1.63602
505.0000 -163.07954 -151.57709 11.50245 3.31409 -150.21029 1347.29833
510.0000 -163.14834 -151.53763 11.61071 3.28293 -150.73941 1269.95629
515.0000 -165.37844 -155.36557 10.01287 3.11294 -153.62673 1183.41569
520.0000 -165.91483 -156.57186 9.34297 2.98187 -155.85292 1089.70161
525.0000 -164.75699 -154.57495 10.18204 3.01981 -155.20855 1126.32816
530.0000 -166.23211 -155.82803 10.40408 3.00645 -155.43554 1110.69786
535.0000 -165.52625 -156.16646 9.35979 3.00557 -155.45043 1118.25236
540.0000 -166.56817 -156.64426 9.92392 2.97749 -155.92731 1081.70312
545.0000 -166.39537 -156.07772 10.31765 2.96377 -156.16034 1098.67968
550.0000 -168.57860 -157.96343 10.61518 2.85998 -157.92333 1055.54640
555.0000 -166.29384 -155.31027 10.98358 2.94849 -156.41989 1142.39100
560.0000 -165.36692 -155.94236 9.42457 2.92846 -156.76013 1090.14829
565.0000 -164.93725 -154.38733 10.54992 3.01517 -155.28731 1109.11706
570.0000 -165.56657 -155.99643 9.57014 3.05288 -154.64679 1171.65777
575.0000 -164.74719 -153.99767 10.74952 3.04471 -154.78561 1157.50852
580.0000 -165.05279 -152.08576 12.96703 3.06724 -154.40301 1199.04131
585.0000 -165.72612 -154.04584 11.68028 3.12030 -153.50176 1213.65772
590.0000 -165.26108 -153.39445 11.86663 3.12214 -153.47041 1205.63668
595.0000 -163.69184 -152.80343 10.88841 3.12255 -153.46346 1238.28654
600.0000 -164.87394 -154.03232 10.84162 3.08447 -154.11024 1140.38082
605.0000 -163.85943 -153.59890 10.26053 3.03492 -154.95183 1149.64609
610.0000 -163.83974 -151.51103 12.32871 3.11386 -153.61109 1156.65036
615.0000 -165.68149 -155.75723 9.92426 3.12564 -153.41098 1217.87973
620.0000 -165.77613 -153.80691 11.96922 3.08207 -154.15107 1226.17489
625.0000 -163.93710 -153.46078 10.47632 3.13947 -153.17617 1208.19676
630.0000 -163.76536 -153.13491 10.63045 3.09950 -153.85508 1160.01991
635.0000 -164.53391 -153.00603 11.52789 3.14947 -153.00628 1175.63958
640.0000 -162.77677 -151.90284 10.87392 3.20629 -152.04127 1228.01657
645.0000 -164.02282 -152.44464 11.57818 3.18006 -152.48674 1240.14901
650.0000 -163.80753 -153.24577 10.56176 3.17558 -152.56276 1243.30517
655.0000 -162.95216 -153.53223 9.41993 3.19747 -152.19102 1282.95729
660.0000 -164.57316 -152.56875 12.00440 3.16802 -152.69114 1220.89543
665.0000 -164.43871 -153.21952 11.21920 3.12599 -153.40503 1187.01915
670.0000 -163.68503 -152.14375 11.54128 3.13449 -153.26072 1179.17775
675.0000 -163.75857 -151.11164 12.64693 3.21496 -151.89384 1265.07632
680.0000 -166.14764 -154.73859 11.40905 3.12469 -153.42709 1212.39957
685.0000 -165.58378 -153.08377 12.50001 3.05328 -154.64006 1150.55126
690.0000 -162.32585 -150.28423 12.04163 3.25016 -151.29606 1244.94897
695.0000 -163.39901 -151.53696 11.86205 3.32160 -150.08273 1334.15453
700.0000 -164.79476 -152.76717 12.02759 3.16174 -152.79785 1208.73523
705.0000 -162.25928 -151.01879 11.24049 3.17520 -152.56932 1218.78589
710.0000 -163.01922 -151.67804 11.34118 3.27830 -150.81816 1269.17531
715.0000 -164.21622 -151.62558 12.59064 3.20114 -152.12873 1275.56240
720.0000 -166.39553 -156.58367 9.81186 3.13333 -153.28038 1221.84606
725.0000 -166.40267 -156.38601 10.01665 2.91206 -157.03876 1062.70978
730.0000 -164.15234 -153.59474 10.55760 3.05143 -154.67142 1177.80971
735.0000 -166.97576 -155.60063 11.37513 3.02699 -155.08666 1133.11321
740.0000 -165.28804 -154.06620 11.22184 3.05531 -154.60553 1153.99378
745.0000 -164.22686 -154.80378 9.42308 3.08846 -154.04253 1189.98363
750.0000 -164.44577 -154.11873 10.32704 3.05105 -154.67794 1116.77294
FREEZING PROCESS: loop number 4 T-loop= 1175.0000000000000
main_MD> interactions number 4 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49832 0.26386 0.15795
force_rgl> df(natom) 0.09336 -2.56461 -0.45826
755.0000 -164.88692 -155.48282 9.40410 3.02975 -155.03974 1135.00350
760.0000 -166.45758 -153.90330 12.55427 3.03988 -154.86774 1166.93448
765.0000 -164.65134 -153.91711 10.73423 3.08810 -154.04872 1180.61270
770.0000 -163.95851 -153.33773 10.62077 3.13470 -153.25712 1208.51805
775.0000 -164.78639 -153.66011 11.12628 3.14924 -153.01013 1231.92815
780.0000 -165.74943 -155.09534 10.65408 3.01072 -155.36298 1144.40774
785.0000 -163.26615 -153.21082 10.05533 3.11120 -153.65621 1206.95224
790.0000 -163.95027 -152.78569 11.16458 3.09865 -153.86947 1182.31813
795.0000 -164.68153 -153.59409 11.08744 3.13514 -153.24966 1229.61283
800.0000 -165.79801 -153.91862 11.87939 3.11471 -153.59663 1172.28955
805.0000 -164.32888 -152.98456 11.34432 3.14617 -153.06227 1205.74851
810.0000 -164.05766 -153.52100 10.53666 3.20409 -152.07854 1266.04532
815.0000 -164.07213 -154.66870 9.40342 3.08680 -154.07070 1140.44168
820.0000 -163.92205 -154.30402 9.61803 3.07724 -154.23305 1191.14378
825.0000 -164.41695 -155.64523 8.77172 3.03815 -154.89706 1110.59932
830.0000 -165.48173 -155.40227 10.07946 3.00793 -155.41037 1133.96307
835.0000 -167.10946 -155.64479 11.46467 2.98387 -155.81905 1131.69852
840.0000 -164.90211 -153.43930 11.46280 3.03802 -154.89922 1135.60229
845.0000 -165.05616 -153.66681 11.38936 3.09091 -154.00088 1195.81969
850.0000 -165.11089 -153.27477 11.83612 3.08570 -154.08933 1210.93449
855.0000 -163.86809 -154.77576 9.09233 3.09907 -153.86226 1199.06033
860.0000 -166.10198 -155.22808 10.87390 3.08033 -154.18068 1179.78273
865.0000 -166.17500 -155.67792 10.49708 3.04360 -154.80446 1142.36439
870.0000 -165.50020 -156.07742 9.42278 2.97866 -155.90746 1125.88480
875.0000 -164.49210 -154.13257 10.35953 3.01039 -155.36860 1138.60186
880.0000 -165.18185 -153.10145 12.08040 3.10901 -153.69341 1184.02959
885.0000 -161.73355 -151.76922 9.96433 3.16486 -152.74483 1250.41991
890.0000 -161.62762 -150.57135 11.05627 3.29324 -150.56437 1282.10954
895.0000 -163.54838 -152.15212 11.39626 3.24286 -151.42006 1280.57580
900.0000 -162.46426 -151.68439 10.77987 3.19124 -152.29681 1262.36822
905.0000 -161.26267 -151.49260 9.77007 3.17745 -152.53095 1241.83223
910.0000 -165.01048 -153.99036 11.02012 3.17200 -152.62355 1213.60680
915.0000 -166.98469 -158.21738 8.76730 2.98750 -155.75740 1107.50147
920.0000 -165.12593 -154.66211 10.46381 2.97961 -155.89129 1090.89605
925.0000 -164.79982 -154.29106 10.50876 3.09336 -153.95923 1197.11804
930.0000 -164.94868 -154.33256 10.61612 3.00919 -155.38893 1140.52045
935.0000 -165.19562 -154.82154 10.37408 3.05667 -154.58254 1180.63261
940.0000 -162.77190 -152.24473 10.52717 3.19829 -152.17711 1243.51274
945.0000 -163.63325 -150.92865 12.70460 3.28974 -150.62385 1323.60253
950.0000 -164.50828 -153.66180 10.84648 3.14865 -153.02016 1199.51966
955.0000 -164.21726 -153.85736 10.35990 3.12589 -153.40672 1214.77882
960.0000 -164.66053 -154.57891 10.08163 3.01733 -155.25064 1137.80934
965.0000 -164.83708 -155.06330 9.77378 3.11418 -153.60565 1207.43274
970.0000 -165.49638 -155.29509 10.20129 3.05426 -154.62344 1190.74888
975.0000 -163.94091 -154.65232 9.28859 3.08553 -154.09222 1168.75437
980.0000 -165.51928 -153.78407 11.73522 3.12601 -153.40480 1188.09226
985.0000 -162.70455 -152.29260 10.41195 3.11435 -153.60281 1178.40766
990.0000 -163.52534 -151.39343 12.13191 3.20435 -152.07419 1268.30293
995.0000 -163.21161 -150.70132 12.51028 3.24541 -151.37678 1294.84213
1000.0000 -161.43587 -149.98339 11.45248 3.30684 -150.33333 1327.77404
FREEZING PROCESS: loop number 5 T-loop= 1150.0000000000000
main_MD> interactions number 5 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.00905 -2.97096 1.22023
force_rgl> df(natom) -1.03039 3.27982 1.86837
1005.0000 -162.50755 -151.38083 11.12672 3.32838 -149.96749 1336.42151
1010.0000 -163.53746 -152.14246 11.39500 3.24147 -151.44367 1304.82583
1015.0000 -166.56408 -155.55277 11.01131 3.08534 -154.09560 1189.29881
1020.0000 -167.16913 -158.05626 9.11288 2.95158 -156.36746 1063.29975
1025.0000 -166.17142 -156.42170 9.74972 2.97846 -155.91092 1124.18416
1030.0000 -166.49511 -156.30619 10.18892 3.00253 -155.50210 1126.00812
1035.0000 -166.72043 -155.69813 11.02230 3.02739 -155.07987 1143.48764
1040.0000 -163.68737 -154.25062 9.43675 2.99066 -155.70363 1116.43550
1045.0000 -166.04390 -154.62820 11.41571 3.08415 -154.11579 1201.50515
1050.0000 -164.24603 -155.04788 9.19815 3.01711 -155.25447 1130.41404
1055.0000 -165.70317 -156.63483 9.06834 3.00188 -155.51302 1112.22980
1060.0000 -166.21287 -156.39731 9.81556 2.91562 -156.97818 1059.44621
1065.0000 -167.49434 -156.65285 10.84148 3.01215 -155.33864 1151.45081
1070.0000 -168.98289 -160.46217 8.52072 2.84132 -158.24021 1020.01217
1075.0000 -166.14213 -155.95468 10.18745 2.86004 -157.92229 1045.69263
1080.0000 -165.78443 -156.47019 9.31424 2.91116 -157.05395 1062.43996
1085.0000 -164.68796 -154.10100 10.58696 3.06327 -154.47039 1166.45477
1090.0000 -165.96920 -156.71570 9.25350 3.02679 -155.08995 1136.02901
1095.0000 -164.79572 -155.42592 9.36980 2.95465 -156.31536 1077.41651
1100.0000 -166.81895 -155.34572 11.47323 3.01201 -155.34108 1101.81819
1105.0000 -166.26551 -154.65043 11.61507 3.02722 -155.08272 1158.46848
1110.0000 -164.24343 -155.04629 9.19714 3.05325 -154.64053 1131.23349
1115.0000 -165.33897 -153.85831 11.48066 3.09480 -153.93485 1178.04718
1120.0000 -164.68599 -153.03697 11.64902 3.06868 -154.37843 1166.67611
1125.0000 -166.15725 -155.57137 10.58587 3.09561 -153.92112 1202.21191
1130.0000 -165.70819 -154.66311 11.04508 3.08645 -154.07659 1174.79465
1135.0000 -165.66716 -157.34883 8.31833 2.94193 -156.53139 1083.38596
1140.0000 -166.76535 -157.42774 9.33762 2.93415 -156.66346 1047.72936
1145.0000 -167.11352 -155.98817 11.12535 2.93170 -156.70516 1070.65172
1150.0000 -166.10590 -157.31656 8.78933 2.92610 -156.80019 1073.49698
1155.0000 -165.46766 -155.96841 9.49925 2.91318 -157.01970 1063.72561
1160.0000 -166.03806 -156.46374 9.57433 2.89749 -157.28612 1103.55930
1165.0000 -164.67256 -154.05841 10.61415 2.95618 -156.28934 1109.20847
1170.0000 -161.46439 -152.00809 9.45630 3.08864 -154.03953 1156.44901
1175.0000 -166.15776 -155.45617 10.70158 3.14442 -153.09213 1232.85601
1180.0000 -167.93729 -156.95795 10.97934 2.96747 -156.09759 1114.91641
1185.0000 -165.50394 -154.59265 10.91130 2.99024 -155.71077 1089.11376
1190.0000 -163.85032 -153.05934 10.79099 3.11310 -153.62408 1173.30124
1195.0000 -163.05811 -152.24858 10.80953 3.14655 -153.05580 1209.02897
1200.0000 -166.01891 -154.01600 12.00292 3.16451 -152.75090 1231.66341
1205.0000 -162.16960 -149.97334 12.19625 3.23019 -151.63526 1269.76642
1210.0000 -162.55684 -151.45196 11.10488 3.24350 -151.40920 1278.58950
1215.0000 -163.98790 -152.12923 11.85867 3.25715 -151.17740 1272.62702
1220.0000 -163.25605 -153.07061 10.18544 3.12748 -153.37971 1221.71002
1225.0000 -165.16393 -157.33801 7.82592 3.09679 -153.90112 1186.85045
1230.0000 -165.36939 -154.35673 11.01265 3.03835 -154.89371 1143.72604
1235.0000 -164.93119 -156.02171 8.90948 2.98100 -155.86769 1087.70443
1240.0000 -166.97989 -157.91178 9.06811 2.90737 -157.11834 1061.29230
1245.0000 -165.72827 -153.82376 11.90451 2.97803 -155.91813 1127.20852
1250.0000 -163.88761 -153.64742 10.24019 3.05042 -154.68863 1136.94768
FREEZING PROCESS: loop number 6 T-loop= 1125.0000000000000
main_MD> interactions number 6 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90026 0.15524 1.15011
force_rgl> df(natom) -2.64332 -2.18383 -1.72030
1255.0000 -166.92160 -155.71863 11.20298 3.03610 -154.93186 1147.03874
1260.0000 -167.61210 -157.23246 10.37965 3.00967 -155.38081 1133.02262
1265.0000 -167.22238 -156.29202 10.93036 2.93589 -156.63397 1081.08388
1270.0000 -165.24080 -154.92753 10.31327 2.99877 -155.56586 1140.63447
1275.0000 -165.76126 -156.08672 9.67454 2.96431 -156.15130 1111.19978
1280.0000 -165.38743 -156.48120 8.90623 2.97483 -155.97246 1082.09767
1285.0000 -165.21820 -156.39747 8.82072 2.96698 -156.10594 1077.67286
1290.0000 -165.10732 -156.30484 8.80248 2.98587 -155.78498 1095.56345
1295.0000 -163.61394 -153.11073 10.50321 3.01680 -155.25969 1121.01714
1300.0000 -166.41910 -156.00989 10.40921 3.10944 -153.68615 1211.59378
1305.0000 -166.57284 -157.32154 9.25130 2.89583 -157.31439 1067.98252
1310.0000 -163.69605 -154.76306 8.93299 3.02954 -155.04337 1121.85786
1315.0000 -162.07201 -152.78917 9.28284 3.06666 -154.41288 1138.29877
1320.0000 -164.37382 -153.82426 10.54956 3.10191 -153.81403 1191.04222
1325.0000 -166.09472 -155.79267 10.30205 3.09799 -153.88071 1196.45946
1330.0000 -163.85843 -154.00232 9.85611 3.06257 -154.48233 1165.43043
1335.0000 -164.24450 -153.57646 10.66804 3.06670 -154.41213 1178.18120
1340.0000 -165.37031 -155.74253 9.62778 2.99543 -155.62265 1140.37911
1345.0000 -166.24235 -156.69535 9.54700 2.94385 -156.49880 1058.84347
1350.0000 -166.01273 -157.59394 8.41878 2.87234 -157.71329 1022.65588
1355.0000 -165.44534 -156.86192 8.58343 2.95098 -156.37764 1110.46485
1360.0000 -166.03549 -155.61273 10.42276 2.94793 -156.42940 1092.18437
1365.0000 -166.04202 -156.92980 9.11223 2.90075 -157.23075 1034.59338
1370.0000 -164.34913 -156.15653 8.19260 2.93724 -156.61106 1063.13505
1375.0000 -166.90352 -157.23631 9.66722 2.92084 -156.88957 1045.67518
1380.0000 -166.21390 -155.73997 10.47393 2.90227 -157.20493 1015.73081
1385.0000 -166.30887 -155.58799 10.72088 3.06014 -154.52353 1177.64271
1390.0000 -165.58754 -156.38780 9.19973 3.01578 -155.27697 1152.45843
1395.0000 -165.72371 -156.17449 9.54922 2.92769 -156.77321 1079.75701
1400.0000 -166.25431 -157.41177 8.84254 2.90581 -157.14476 1057.02198
1405.0000 -167.83837 -156.86502 10.97335 2.94959 -156.40125 1098.63704
1410.0000 -168.31507 -159.15429 9.16078 2.86895 -157.77083 1066.21000
1415.0000 -167.95394 -158.16285 9.79109 2.80696 -158.82381 979.71886
1420.0000 -164.67441 -156.13729 8.53712 2.94100 -156.54709 1086.69238
1425.0000 -165.80282 -156.93650 8.86632 2.95449 -156.31804 1116.25605
1430.0000 -167.00911 -157.86226 9.14685 2.93549 -156.64080 1071.99920
1435.0000 -163.42638 -154.38820 9.03818 2.96019 -156.22111 1062.32596
1440.0000 -166.23283 -154.72141 11.51142 3.06969 -154.36126 1159.62685
1445.0000 -165.56675 -155.90381 9.66295 3.01481 -155.29345 1130.19760
1450.0000 -169.94666 -160.88860 9.05806 2.84090 -158.24735 1022.01987
1455.0000 -168.28840 -158.31180 9.97659 2.82905 -158.44866 1035.78802
1460.0000 -167.29218 -158.31328 8.97890 2.83423 -158.36059 1034.22473
1465.0000 -166.57707 -156.75718 9.81989 2.93154 -156.70775 1071.65580
1470.0000 -166.35635 -156.71905 9.63730 2.93434 -156.66034 1091.32206
1475.0000 -166.78737 -155.16429 11.62308 3.00646 -155.43529 1155.01066
1480.0000 -162.84316 -153.44729 9.39587 3.04702 -154.74644 1141.99213
1485.0000 -166.76646 -155.62274 11.14373 3.05599 -154.59399 1141.36649
1490.0000 -164.65173 -154.84122 9.81050 3.00576 -155.44727 1120.53021
1495.0000 -165.55053 -156.32313 9.22740 2.95985 -156.22697 1099.48645
1500.0000 -165.97166 -156.11336 9.85830 2.98712 -155.76374 1135.71358
FREEZING PROCESS: loop number 7 T-loop= 1100.0000000000000
main_MD> interactions number 7 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.52584 -2.99350 -2.25463
force_rgl> df(natom) 0.32449 1.25363 -1.22483
1505.0000 -167.36768 -156.44673 10.92095 2.92545 -156.81120 1068.36022
1510.0000 -168.60278 -158.44070 10.16208 2.91903 -156.92033 1089.29815
1515.0000 -166.64908 -157.38051 9.26857 2.82028 -158.59750 1004.65562
1520.0000 -167.18593 -157.26421 9.92172 2.95135 -156.37128 1040.63715
1525.0000 -166.36174 -157.16046 9.20127 2.85155 -158.06650 996.91371
1530.0000 -167.01919 -157.14059 9.87860 2.92389 -156.83783 1041.50582
1535.0000 -164.08655 -154.64149 9.44506 2.98061 -155.87439 1121.51287
1540.0000 -166.88068 -155.26874 11.61194 3.04624 -154.75964 1125.36242
1545.0000 -168.34620 -159.78989 8.55631 2.87138 -157.72968 1036.43149
1550.0000 -164.04469 -154.91100 9.13370 2.92827 -156.76332 1056.50676
1555.0000 -165.88374 -156.45466 9.42908 3.01899 -155.22251 1141.59509
1560.0000 -166.00639 -156.18843 9.81796 2.91734 -156.94898 1076.21884
1565.0000 -164.98399 -157.24893 7.73507 2.95567 -156.29794 1057.78426
1570.0000 -167.63392 -156.29034 11.34358 2.83612 -158.32848 998.50643
1575.0000 -165.40780 -154.36768 11.04012 3.02062 -155.19480 1116.98312
1580.0000 -166.21336 -156.46683 9.74652 3.01724 -155.25226 1103.56347
1585.0000 -164.43871 -155.12676 9.31195 2.96404 -156.15583 1128.95456
1590.0000 -166.08068 -154.30622 11.77446 3.06315 -154.47240 1182.56833
1595.0000 -164.69833 -154.96341 9.73492 3.03857 -154.88989 1167.27450
1600.0000 -163.60769 -154.66052 8.94716 3.03163 -155.00781 1134.48266
1605.0000 -164.70569 -152.83480 11.87089 3.06515 -154.43853 1180.31080
1610.0000 -164.85785 -154.35528 10.50257 3.05803 -154.55933 1090.18173
1615.0000 -166.48179 -155.58364 10.89815 3.04257 -154.82203 1130.71532
1620.0000 -162.77237 -153.37867 9.39370 3.09518 -153.92831 1191.16033
1625.0000 -164.03852 -153.36534 10.67318 3.17169 -152.62889 1203.98086
1630.0000 -164.23642 -152.28007 11.95635 3.14472 -153.08699 1223.21343
1635.0000 -164.26770 -153.91541 10.35229 3.14361 -153.10574 1239.33088
1640.0000 -165.18982 -156.50268 8.68714 3.01594 -155.27433 1133.33200
1645.0000 -165.48102 -156.13947 9.34155 2.94471 -156.48412 1060.05641
1650.0000 -164.35047 -154.60688 9.74360 3.01858 -155.22945 1117.08407
1655.0000 -163.58831 -154.28043 9.30788 3.10872 -153.69840 1158.31112
1660.0000 -163.44514 -151.21231 12.23283 3.14450 -153.09071 1187.80715
1665.0000 -163.84711 -153.45708 10.39002 3.16629 -152.72059 1209.16928
1670.0000 -165.01675 -154.24685 10.76989 3.06208 -154.49056 1162.21391
1675.0000 -165.46134 -154.63244 10.82889 3.01120 -155.35487 1137.80224
1680.0000 -166.48956 -157.16404 9.32552 3.01222 -155.33754 1180.70302
1685.0000 -166.21823 -158.01552 8.20272 2.91844 -156.93038 1089.57693
1690.0000 -168.65613 -159.02179 9.63434 2.77428 -159.37889 981.81608
1695.0000 -166.94946 -154.99255 11.95691 2.89359 -157.35232 1036.22125
1700.0000 -164.02149 -153.96630 10.05519 2.99964 -155.55120 1110.44211
1705.0000 -165.05690 -155.37750 9.67940 3.04681 -154.74998 1154.77533
1710.0000 -166.66591 -155.91970 10.74621 3.03372 -154.97237 1146.19570
1715.0000 -166.64824 -157.37188 9.27636 2.98511 -155.79791 1090.45543
1720.0000 -166.18929 -156.43890 9.75040 2.91506 -156.98779 1078.45986
1725.0000 -167.09406 -157.59866 9.49540 2.91285 -157.02519 1045.84274
1730.0000 -168.66138 -158.08422 10.57716 2.81586 -158.67272 996.87464
1735.0000 -168.54790 -159.20940 9.33850 2.81159 -158.74516 995.22014
1740.0000 -167.19128 -157.21292 9.97836 2.83393 -158.36565 1018.18208
1745.0000 -166.63242 -155.82482 10.80760 2.86089 -157.90776 1023.26752
1750.0000 -166.16604 -155.92992 10.23612 3.04922 -154.70908 1139.40775
FREEZING PROCESS: loop number 8 T-loop= 1075.0000000000000
main_MD> interactions number 8 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76325 0.03431 0.00915
force_rgl> df(natom) 0.00367 -1.62704 1.81173
1755.0000 -167.97069 -156.79054 11.18014 2.89665 -157.30035 1039.43118
1760.0000 -165.84335 -155.74534 10.09801 2.96140 -156.20065 1114.58892
1765.0000 -165.99915 -155.81437 10.18477 2.97777 -155.92267 1123.07024
1770.0000 -164.51506 -156.24476 8.27030 2.96164 -156.19650 1093.61134
1775.0000 -166.68260 -156.46365 10.21895 2.93112 -156.71493 1087.18542
1780.0000 -165.44292 -155.26055 10.18237 2.96074 -156.21183 1071.38558
1785.0000 -166.51856 -156.45614 10.06242 2.99375 -155.65124 1129.83675
1790.0000 -165.43303 -156.46236 8.97066 2.91824 -156.93380 1050.94050
1795.0000 -165.29602 -155.51629 9.77973 3.00097 -155.52848 1146.04858
1800.0000 -167.36165 -156.30699 11.05466 2.98360 -155.82352 1108.91456
1805.0000 -165.76632 -156.22709 9.53923 3.00891 -155.39363 1127.71109
1810.0000 -168.12351 -157.05383 11.06967 2.92963 -156.74028 1066.37201
1815.0000 -166.93002 -156.15006 10.77996 2.94816 -156.42547 1090.53853
1820.0000 -165.16414 -155.50868 9.65546 2.92593 -156.80305 1073.84558
1825.0000 -165.28637 -155.59476 9.69160 3.01040 -155.36830 1123.46704
1830.0000 -166.57505 -157.18407 9.39098 2.97881 -155.90498 1093.91394
1835.0000 -165.62508 -156.75048 8.87459 2.86987 -157.75535 1051.34360
1840.0000 -167.56775 -157.52779 10.03996 2.87416 -157.68238 1035.29354
1845.0000 -166.91594 -157.65808 9.25786 2.86590 -157.82269 1038.68189
1850.0000 -167.71627 -157.01872 10.69755 2.87402 -157.68479 1036.19472
1855.0000 -167.51412 -158.34421 9.16991 2.87052 -157.74423 1041.26665
1860.0000 -166.58795 -157.43209 9.15587 2.88261 -157.53892 1029.03320
1865.0000 -166.73697 -156.29500 10.44196 2.89011 -157.41152 1068.52414
1870.0000 -164.12306 -155.24023 8.88283 2.97423 -155.98276 1111.42771
1875.0000 -165.36374 -155.38148 9.98226 3.07350 -154.29659 1176.31766
1880.0000 -165.86257 -154.29094 11.57163 3.00673 -155.43079 1119.69473
1885.0000 -166.40153 -158.59887 7.80266 2.94194 -156.53118 1080.69214
1890.0000 -166.66484 -158.38943 8.27541 2.85339 -158.03513 1018.32424
1895.0000 -165.94288 -156.81568 9.12720 2.96099 -156.20765 1090.02086
1900.0000 -166.48513 -156.74199 9.74314 3.03564 -154.93974 1144.08848
1905.0000 -165.63532 -155.62936 10.00596 2.91515 -156.98613 1079.87985
1910.0000 -164.33119 -154.35116 9.98003 2.98820 -155.74546 1113.41625
1915.0000 -166.69065 -155.52615 11.16449 3.04449 -154.78934 1137.93992
1920.0000 -165.30151 -154.24524 11.05627 3.03576 -154.93767 1141.78004
1925.0000 -164.42768 -154.57304 9.85464 3.08157 -154.15951 1173.24820
1930.0000 -166.36974 -155.53000 10.83974 3.03957 -154.87296 1131.38369
1935.0000 -165.80831 -156.16076 9.64755 2.94250 -156.52160 1078.89160
1940.0000 -166.48081 -156.70210 9.77871 2.97564 -155.95872 1068.09858
1945.0000 -166.17003 -155.45660 10.71343 3.00150 -155.51960 1130.46777
1950.0000 -167.04661 -156.47302 10.57358 2.99561 -155.61961 1120.99296
1955.0000 -165.42044 -156.64441 8.77603 2.94277 -156.51715 1096.07178
1960.0000 -167.12156 -158.18835 8.93321 2.88366 -157.52109 1041.76007
1965.0000 -165.55991 -156.34655 9.21336 2.85909 -157.93832 1037.08495
1970.0000 -166.44227 -158.33527 8.10700 2.90537 -157.15235 1073.87212
1975.0000 -167.60977 -157.19224 10.41753 2.84416 -158.19191 1000.80261
1980.0000 -166.85639 -156.57204 10.28435 2.91021 -157.07008 1065.04551
1985.0000 -164.56014 -157.36493 7.19522 2.91361 -157.01244 1044.80505
1990.0000 -166.75109 -156.22401 10.52708 2.94229 -156.52522 1057.47689
1995.0000 -166.79536 -156.47619 10.31917 3.05069 -154.68404 1177.04412
2000.0000 -167.91260 -157.49650 10.41610 2.89452 -157.33659 1053.83909
FREEZING PROCESS: loop number 9 T-loop= 1050.0000000000000
main_MD> interactions number 9 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00510 -1.70468 -0.58005
force_rgl> df(natom) -2.16375 6.04080 3.18382
2005.0000 -166.48060 -158.13700 8.34360 2.90911 -157.08874 1046.73106
2010.0000 -166.86439 -157.17454 9.68985 2.88216 -157.54655 1061.05447
2015.0000 -167.44939 -159.00932 8.44007 2.89473 -157.33310 1047.69273
2020.0000 -166.52167 -156.08478 10.43689 2.85581 -157.99414 1033.75295
2025.0000 -166.17978 -157.20694 8.97284 2.95738 -156.26897 1082.04903
2030.0000 -167.73273 -156.08487 11.64786 2.88922 -157.42669 1056.77215
2035.0000 -167.69102 -158.74717 8.94385 2.91286 -157.02506 1050.33589
2040.0000 -167.56014 -158.96349 8.59665 2.81271 -158.72613 954.53255
2045.0000 -166.89175 -156.60856 10.28319 2.84528 -158.17290 1038.41884
2050.0000 -169.62551 -158.59161 11.03390 2.90709 -157.12305 1091.63496
2055.0000 -166.14577 -155.83976 10.30601 2.86912 -157.76807 1030.05836
2060.0000 -164.80367 -154.08668 10.71699 2.95444 -156.31886 1084.88404
2065.0000 -166.74150 -155.51235 11.22915 3.04431 -154.79245 1153.80216
2070.0000 -165.20094 -155.05452 10.14642 3.04924 -154.70868 1133.62264
2075.0000 -165.48784 -156.54951 8.93834 3.02094 -155.18943 1146.16851
2080.0000 -166.77311 -155.35987 11.41325 2.97220 -156.01727 1120.33328
2085.0000 -166.31963 -156.00308 10.31655 2.96974 -156.05894 1081.18979
2090.0000 -166.54031 -157.38736 9.15295 2.92705 -156.78407 1068.87637
2095.0000 -166.30971 -156.56830 9.74141 2.90167 -157.21517 1027.64895
2100.0000 -166.39038 -157.55556 8.83482 2.89348 -157.35428 1044.99048
2105.0000 -165.62491 -156.03770 9.58721 2.97182 -156.02370 1128.98266
2110.0000 -165.24244 -154.74180 10.50064 2.99717 -155.59313 1113.87009
2115.0000 -167.55697 -156.54225 11.01472 3.04175 -154.83582 1142.51942
2120.0000 -166.41192 -157.52879 8.88312 2.89326 -157.35795 1050.81514
2125.0000 -166.40358 -156.80216 9.60142 2.91801 -156.93766 1065.65244
2130.0000 -165.94165 -154.88322 11.05843 2.98700 -155.76587 1129.22006
2135.0000 -166.37200 -157.13911 9.23289 2.97612 -155.95057 1101.56131
2140.0000 -164.81935 -154.21179 10.60756 2.94950 -156.40278 1067.36065
2145.0000 -165.49206 -156.23554 9.25651 3.03960 -154.87236 1143.83473
2150.0000 -168.54930 -159.58759 8.96171 2.85635 -157.98485 1044.22801
2155.0000 -166.30331 -157.52097 8.78235 2.78744 -159.15542 974.37991
2160.0000 -166.62429 -156.76514 9.85915 2.81074 -158.75961 1014.09284
2165.0000 -166.25336 -156.83425 9.41911 2.94219 -156.52688 1080.90725
2170.0000 -167.67413 -157.47680 10.19733 2.91358 -157.01288 1084.29388
2175.0000 -166.87924 -157.43013 9.44911 2.89541 -157.32141 1066.71328
2180.0000 -167.73558 -159.01090 8.72468 2.90763 -157.11387 1035.50001
2185.0000 -166.89914 -158.08377 8.81537 2.89585 -157.31407 1069.68354
2190.0000 -168.07615 -157.77153 10.30462 2.90081 -157.22977 1052.32632
2195.0000 -164.32035 -153.71637 10.60398 2.94508 -156.47782 1076.08438
2200.0000 -169.16234 -160.82450 8.33784 2.89629 -157.30660 1042.56235
2205.0000 -168.20843 -158.35843 9.85000 2.82932 -158.44405 985.83152
2210.0000 -166.73912 -157.52957 9.20955 2.91307 -157.02152 1073.20633
2215.0000 -165.57298 -156.11887 9.45410 2.89680 -157.29783 1080.56805
2220.0000 -167.64352 -159.52895 8.11457 2.86706 -157.80293 1047.30800
2225.0000 -166.88603 -158.64510 8.24093 2.79914 -158.95668 982.40928
2230.0000 -168.20521 -159.61109 8.59412 2.76873 -159.47317 958.04031
2235.0000 -166.18519 -156.55438 9.63081 2.79692 -158.99435 994.35700
2240.0000 -167.85892 -158.13716 9.72175 2.86846 -157.77928 1021.95240
2245.0000 -168.75025 -158.85051 9.89974 2.81393 -158.70540 1046.23346
2250.0000 -167.00622 -157.66825 9.33796 2.87967 -157.58881 1021.52105
FREEZING PROCESS: loop number 10 T-loop= 1025.0000000000000
main_MD> interactions number 10 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.07384 -2.23111 -2.33985
force_rgl> df(natom) 0.66340 -3.06164 4.86823
2255.0000 -167.63901 -159.39802 8.24098 2.76740 -159.49568 941.58728
2260.0000 -167.55502 -158.64458 8.91044 2.79230 -159.07274 1004.56757
2265.0000 -166.75190 -157.92160 8.83030 2.76148 -159.59626 983.78663
2270.0000 -166.42671 -157.11028 9.31643 2.91378 -157.00949 1061.64949
2275.0000 -166.31038 -156.88748 9.42290 2.90117 -157.22362 1054.55545
2280.0000 -165.54947 -155.46693 10.08254 2.98122 -155.86397 1141.18790
2285.0000 -165.29247 -155.34858 9.94389 3.01732 -155.25086 1110.09887
2290.0000 -165.06563 -155.88067 9.18496 2.97778 -155.92250 1095.04981
2295.0000 -165.28531 -157.06995 8.21536 2.98500 -155.79972 1101.58583
2300.0000 -165.55211 -156.91898 8.63314 2.97545 -155.96194 1079.88018
2305.0000 -165.65942 -156.79243 8.86699 2.95226 -156.35583 1086.97901
2310.0000 -166.42286 -157.19046 9.23241 2.91710 -156.95302 1060.60714
2315.0000 -167.91237 -157.13278 10.77959 2.93806 -156.59713 1041.07183
2320.0000 -165.71063 -156.77961 8.93102 2.88860 -157.43720 1039.73635
2325.0000 -168.22187 -159.47150 8.75037 2.81967 -158.60798 1002.83304
2330.0000 -167.09382 -155.72589 11.36793 2.86815 -157.78445 1046.33930
2335.0000 -165.95478 -156.55309 9.40169 2.90019 -157.24037 1034.92557
2340.0000 -167.12950 -156.66904 10.46046 2.92736 -156.77880 1065.52682
2345.0000 -166.41399 -156.86985 9.54413 2.92902 -156.75055 1074.42862
2350.0000 -166.25112 -156.36815 9.88297 2.91765 -156.94381 1076.50379
2355.0000 -165.95560 -156.98487 8.97073 2.91850 -156.92935 1054.03071
2360.0000 -165.89390 -157.28851 8.60539 2.94360 -156.50305 1088.86600
2365.0000 -167.13774 -157.24340 9.89434 2.86403 -157.85448 1059.44672
2370.0000 -165.52257 -154.47035 11.05221 2.97776 -155.92276 1043.45984
2375.0000 -167.21606 -158.95478 8.26128 2.93511 -156.64718 1058.35760
2380.0000 -168.57931 -160.29225 8.28706 2.82148 -158.57713 1026.92061
2385.0000 -169.74656 -160.74522 9.00134 2.73120 -160.11064 965.00023
2390.0000 -167.65787 -159.32862 8.32925 2.73550 -160.03748 925.02208
2395.0000 -168.80364 -159.63290 9.17074 2.76870 -159.47367 941.88234
2400.0000 -167.87532 -158.61035 9.26497 2.76679 -159.50609 973.85656
2405.0000 -168.01606 -158.35163 9.66443 2.82351 -158.54278 1015.56013
2410.0000 -166.06852 -156.33989 9.72863 2.93676 -156.61910 1079.60380
2415.0000 -169.21427 -159.59632 9.61795 2.86819 -157.78375 1022.11918
2420.0000 -167.16676 -157.98316 9.18360 2.84114 -158.24326 1039.98692
2425.0000 -167.97108 -159.71903 8.25206 2.81996 -158.60304 1024.09502
2430.0000 -168.18136 -159.82842 8.35294 2.77352 -159.39174 984.40738
2435.0000 -166.17682 -156.96443 9.21239 2.86850 -157.77851 1038.31247
2440.0000 -170.12682 -160.43740 9.68941 2.78075 -159.26898 963.52949
2445.0000 -166.70481 -157.79110 8.91371 2.80824 -158.80208 993.88105
2450.0000 -167.87096 -158.50433 9.36663 2.87844 -157.60974 1025.68834
2455.0000 -167.70654 -156.31651 11.39003 2.89965 -157.24944 1031.00794
2460.0000 -165.16507 -155.59004 9.57503 2.95091 -156.37884 1101.64496
2465.0000 -167.23503 -156.96875 10.26628 2.92160 -156.87665 1071.88945
2470.0000 -166.88374 -156.59757 10.28617 2.95229 -156.35532 1089.09486
2475.0000 -164.99047 -155.12750 9.86297 2.97189 -156.02240 1105.76292
2480.0000 -167.37309 -155.00733 12.36576 3.02327 -155.14979 1135.83928
2485.0000 -165.30987 -155.77605 9.53382 2.98579 -155.78634 1105.58914
2490.0000 -167.25011 -158.44508 8.80503 2.89808 -157.27607 1026.19133
2495.0000 -168.09312 -158.71838 9.37473 2.85080 -158.07917 1023.77598
2500.0000 -169.27610 -160.11711 9.15898 2.76499 -159.53665 981.36009
FREEZING PROCESS: loop number 11 T-loop= 1000.0000000000000
main_MD> interactions number 11 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28351 -0.42315 0.24341
force_rgl> df(natom) 0.65695 2.42882 -1.76151
2505.0000 -168.11004 -158.14293 9.96711 2.77001 -159.45137 968.39448
2510.0000 -168.25023 -158.67181 9.57842 2.82673 -158.48799 1019.04556
2515.0000 -169.32842 -161.14773 8.18070 2.78476 -159.20088 981.90869
2520.0000 -168.18005 -160.73389 7.44616 2.72414 -160.23057 917.74221
2525.0000 -168.66116 -159.94863 8.71253 2.71210 -160.43503 939.29964
2530.0000 -167.52652 -159.23346 8.29306 2.74258 -159.91734 938.89188
2535.0000 -167.56460 -159.48170 8.08291 2.80367 -158.87963 984.86342
2540.0000 -168.39205 -159.11473 9.27731 2.81313 -158.71896 999.08389
2545.0000 -168.42107 -159.64741 8.77366 2.77911 -159.29686 982.47770
2550.0000 -167.01914 -158.50350 8.51564 2.83062 -158.42187 976.17681
2555.0000 -166.06956 -158.43756 7.63200 2.86411 -157.85303 1043.04659
2560.0000 -167.13264 -158.08254 9.05010 2.79053 -159.10287 973.64518
2565.0000 -163.73114 -153.39190 10.33924 2.93965 -156.57003 1046.06193
2570.0000 -163.57646 -155.78400 7.79246 3.01667 -155.26187 1119.58638
2575.0000 -166.83458 -157.55146 9.28312 2.92093 -156.88797 1059.35419
2580.0000 -167.95371 -158.50936 9.44435 2.77918 -159.29561 955.40023
2585.0000 -169.57197 -160.93431 8.63766 2.76761 -159.49224 972.23553
2590.0000 -166.37896 -157.95964 8.41932 2.76081 -159.60762 985.18148
2595.0000 -164.06875 -154.56337 9.50538 2.95401 -156.32611 1089.33432
2600.0000 -165.51100 -156.17908 9.33192 2.95339 -156.33673 1066.32874
2605.0000 -166.34625 -157.68874 8.65752 2.90779 -157.11115 1011.43158
2610.0000 -167.15982 -157.94804 9.21178 2.88369 -157.52052 1034.39333
2615.0000 -167.77736 -159.13535 8.64201 2.82485 -158.51999 995.27306
2620.0000 -168.94943 -160.90484 8.04458 2.68912 -160.82534 911.12603
2625.0000 -168.22350 -159.63856 8.58494 2.74362 -159.89963 968.35831
2630.0000 -167.23468 -158.86545 8.36923 2.79724 -158.98886 998.62501
2635.0000 -168.46442 -159.47782 8.98660 2.81707 -158.65216 957.73106
2640.0000 -166.91789 -159.18622 7.73167 2.75383 -159.72627 946.67382
2645.0000 -167.99924 -158.78646 9.21278 2.80179 -158.91170 994.99815
2650.0000 -166.74567 -158.04164 8.70403 2.81977 -158.60631 1016.96632
2655.0000 -166.86553 -157.95143 8.91409 2.81303 -158.72064 997.20377
2660.0000 -169.33451 -159.45878 9.87573 2.79512 -159.02496 1014.17806
2665.0000 -167.90759 -158.86882 9.03877 2.75344 -159.73288 962.39147
2670.0000 -168.74432 -159.23952 9.50480 2.80855 -158.79686 993.34895
2675.0000 -167.90598 -159.37480 8.53118 2.76448 -159.54541 961.93861
2680.0000 -169.99326 -160.61103 9.38223 2.73080 -160.11742 924.02857
2685.0000 -170.07370 -160.90122 9.17248 2.70880 -160.49113 902.07433
2690.0000 -169.06960 -160.95978 8.10981 2.67001 -161.14983 874.22457
2695.0000 -167.71765 -158.68544 9.03221 2.78297 -159.23131 968.24678
2700.0000 -166.79970 -158.51200 8.28770 2.83181 -158.40172 1011.39016
2705.0000 -167.72605 -158.76369 8.96236 2.78422 -159.21003 965.45099
2710.0000 -169.46532 -161.07362 8.39170 2.71542 -160.37863 926.17933
2715.0000 -170.16606 -160.35365 9.81241 2.70285 -160.59219 930.94697
2720.0000 -167.24802 -158.05351 9.19450 2.83040 -158.42563 1009.89799
2725.0000 -166.13046 -157.69851 8.43195 2.87166 -157.72489 1029.72101
2730.0000 -165.18305 -156.10255 9.08050 2.86064 -157.91208 1003.27550
2735.0000 -165.93963 -157.25265 8.68698 2.91506 -156.98765 1044.19078
2740.0000 -166.73648 -157.96269 8.77379 2.90256 -157.20006 1052.77398
2745.0000 -167.48879 -158.46161 9.02719 2.84097 -158.24613 1037.66302
2750.0000 -167.16705 -158.21457 8.95248 2.81246 -158.73046 976.31657
FREEZING PROCESS: loop number 12 T-loop= 975.00000000000000
main_MD> interactions number 12 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28029 3.34072 0.23886
force_rgl> df(natom) 2.81772 -1.86680 -0.74462
2755.0000 -167.81398 -160.83372 6.98026 2.77186 -159.42005 991.32005
2760.0000 -168.76264 -159.92670 8.83594 2.76187 -159.58959 964.22669
2765.0000 -167.28114 -159.47079 7.81035 2.75143 -159.76692 944.40934
2770.0000 -169.73819 -162.11734 7.62085 2.66825 -161.17978 904.00404
2775.0000 -165.88957 -159.16561 6.72396 2.68168 -160.95173 925.43918
2780.0000 -168.31050 -159.47727 8.83324 2.79286 -159.06323 986.58042
2785.0000 -167.09446 -158.65740 8.43706 2.71728 -160.34696 909.50670
2790.0000 -170.22654 -162.62315 7.60339 2.74417 -159.89037 926.09570
2795.0000 -170.29267 -161.21413 9.07854 2.65392 -161.42314 886.76069
2800.0000 -167.77154 -160.27512 7.49642 2.63431 -161.75631 877.86370
2805.0000 -169.03414 -159.87213 9.16201 2.76283 -159.57343 957.44773
2810.0000 -169.29079 -159.44916 9.84162 2.79353 -159.05187 1000.58587
2815.0000 -169.12541 -159.57371 9.55170 2.77245 -159.40998 980.74262
2820.0000 -169.64285 -162.11185 7.53101 2.73578 -160.03275 969.50598
2825.0000 -168.41295 -160.63684 7.77611 2.65107 -161.47163 902.97331
2830.0000 -169.92525 -160.71334 9.21191 2.72925 -160.14363 923.20556
2835.0000 -168.70105 -159.41895 9.28210 2.74584 -159.86198 965.73335
2840.0000 -168.93296 -160.82414 8.10882 2.76040 -159.61463 960.10359
2845.0000 -169.27622 -161.83726 7.43897 2.67094 -161.13405 893.64212
2850.0000 -169.36804 -160.64777 8.72027 2.65190 -161.45748 894.87988
2855.0000 -166.76138 -158.76975 7.99162 2.76634 -159.51372 956.82972
2860.0000 -165.76948 -156.33093 9.43855 2.87833 -157.61164 1017.22505
2865.0000 -165.37625 -155.37708 9.99917 2.95914 -156.23907 1066.22515
2870.0000 -164.81314 -154.74361 10.06954 3.03293 -154.98569 1155.85451
2875.0000 -165.25720 -155.74579 9.51141 3.00765 -155.41506 1113.87435
2880.0000 -168.04402 -159.76570 8.27833 2.81423 -158.70035 993.82867
2885.0000 -169.91674 -162.49714 7.41960 2.71217 -160.43376 942.12726
2890.0000 -169.27717 -161.94950 7.32767 2.61723 -162.04644 841.74148
2895.0000 -168.48052 -160.08078 8.39974 2.70609 -160.53713 932.73156
2900.0000 -168.38324 -158.79092 9.59232 2.74057 -159.95149 960.90408
2905.0000 -166.69163 -158.90502 7.78661 2.85064 -158.08191 1006.84286
2910.0000 -167.57344 -158.85545 8.71799 2.82847 -158.45839 982.51534
2915.0000 -168.85842 -159.41171 9.44671 2.77841 -159.30878 960.78118
2920.0000 -169.34367 -160.21250 9.13117 2.74698 -159.84259 957.72562
2925.0000 -168.35297 -159.23032 9.12265 2.73840 -159.98835 964.68502
2930.0000 -169.00613 -161.29897 7.70716 2.73310 -160.07834 967.33777
2935.0000 -168.62257 -159.25791 9.36466 2.73642 -160.02190 940.16356
2940.0000 -168.03817 -159.80971 8.22846 2.77058 -159.44164 952.18356
2945.0000 -168.33801 -159.92525 8.41275 2.78071 -159.26973 942.50537
2950.0000 -167.58055 -159.37813 8.20242 2.76837 -159.47931 940.41681
2955.0000 -167.31638 -157.73206 9.58432 2.74597 -159.85964 910.46191
2960.0000 -166.35918 -156.96963 9.38954 2.88162 -157.55568 1071.05964
2965.0000 -167.07120 -158.40443 8.66677 2.91282 -157.02575 1012.98529
2970.0000 -167.51494 -159.30415 8.21079 2.78741 -159.15588 978.05759
2975.0000 -168.40337 -160.03042 8.37295 2.72016 -160.29813 968.52919
2980.0000 -170.46442 -162.67511 7.78931 2.62843 -161.85618 861.21735
2985.0000 -169.30301 -160.74337 8.55964 2.69199 -160.77662 907.52088
2990.0000 -167.74567 -158.73451 9.01115 2.76778 -159.48928 926.30536
2995.0000 -168.18299 -158.15229 10.03070 2.84438 -158.18826 1009.77631
3000.0000 -168.16896 -159.87849 8.29047 2.81388 -158.70621 1002.49591
FREEZING PROCESS: loop number 13 T-loop= 950.00000000000000
main_MD> interactions number 13 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93010 -1.38425 -6.50157
force_rgl> df(natom) 0.56255 -3.70564 -0.60655
3005.0000 -169.18962 -160.08415 9.10547 2.79446 -159.03608 966.17451
3010.0000 -168.79094 -159.38048 9.41046 2.76030 -159.61624 980.45955
3015.0000 -166.99676 -158.18469 8.81207 2.85111 -158.07385 1016.91568
3020.0000 -168.34563 -157.85947 10.48616 2.85676 -157.97799 1029.49541
3025.0000 -169.82488 -161.65652 8.16835 2.77318 -159.39752 974.44761
3030.0000 -170.22923 -161.26038 8.96885 2.63118 -161.80943 870.16653
3035.0000 -169.43125 -161.79042 7.64083 2.62755 -161.87109 857.19083
3040.0000 -170.47842 -161.74126 8.73716 2.66992 -161.15145 924.41119
3045.0000 -167.88895 -159.25947 8.62948 2.71011 -160.46872 942.82620
3050.0000 -169.20299 -160.94508 8.25791 2.75547 -159.69834 952.44363
3055.0000 -169.07030 -159.89117 9.17913 2.77510 -159.36499 966.07778
3060.0000 -166.75256 -157.17754 9.57502 2.81558 -158.67734 994.69327
3065.0000 -167.67708 -157.99091 9.68617 2.86632 -157.81554 1015.76841
3070.0000 -168.48982 -160.92241 7.56741 2.72779 -160.16854 916.37081
3075.0000 -167.59496 -159.27919 8.31577 2.72394 -160.23384 916.13921
3080.0000 -166.69706 -158.86839 7.82867 2.77935 -159.29281 973.39768
3085.0000 -166.13792 -158.30342 7.83450 2.86248 -157.88077 1023.21306
3090.0000 -168.19973 -159.34927 8.85045 2.78461 -159.20348 975.62690
3095.0000 -167.73334 -159.81709 7.91626 2.81983 -158.60527 1007.38376
3100.0000 -166.47174 -157.15586 9.31588 2.82402 -158.53401 1004.89915
3105.0000 -166.52730 -159.11275 7.41455 2.88342 -157.52507 990.00851
3110.0000 -167.64895 -158.06881 9.58014 2.87970 -157.58838 1044.50462
3115.0000 -167.50347 -157.75222 9.75125 2.87481 -157.67146 1038.06675
3120.0000 -166.75343 -158.48166 8.27177 2.82915 -158.44686 1007.22606
3125.0000 -167.28927 -155.86491 11.42435 2.81783 -158.63915 1007.69051
3130.0000 -169.90758 -160.24537 9.66221 2.80026 -158.93759 991.46432
3135.0000 -168.97096 -159.63735 9.33360 2.74885 -159.81075 961.49047
3140.0000 -168.90880 -160.38028 8.52852 2.71415 -160.40020 928.29951
3145.0000 -168.50906 -159.96277 8.54628 2.70758 -160.51185 929.45126
3150.0000 -168.40256 -159.04793 9.35463 2.76273 -159.57504 965.48098
3155.0000 -170.87580 -163.07330 7.80250 2.69187 -160.77864 923.91154
3160.0000 -169.03439 -159.91001 9.12438 2.70099 -160.62379 948.80743
3165.0000 -169.89666 -162.66933 7.22733 2.70255 -160.59729 940.66629
3170.0000 -168.43670 -160.76066 7.67604 2.68175 -160.95054 919.21689
3175.0000 -168.95551 -160.94353 8.01197 2.62841 -161.85647 883.48861
3180.0000 -166.47626 -158.42303 8.05323 2.78739 -159.15621 958.27021
3185.0000 -168.18515 -159.27826 8.90689 2.86834 -157.78119 1017.52706
3190.0000 -167.65281 -158.57141 9.08140 2.79436 -159.03787 982.97019
3195.0000 -167.77842 -158.80050 8.97792 2.82376 -158.53839 996.09747
3200.0000 -167.34229 -158.12752 9.21477 2.75993 -159.62258 965.64723
3205.0000 -170.21603 -161.16583 9.05021 2.73658 -160.01924 931.21809
3210.0000 -168.64009 -160.06623 8.57387 2.68577 -160.88223 939.92592
3215.0000 -167.91591 -159.47889 8.43702 2.72992 -160.13238 917.20333
3220.0000 -168.39285 -158.62845 9.76439 2.79647 -159.00192 996.08154
3225.0000 -169.94697 -163.33527 6.61169 2.71780 -160.33815 919.49626
3230.0000 -168.97388 -161.75402 7.21986 2.55900 -163.03542 827.68556
3235.0000 -170.25331 -161.88820 8.36511 2.66114 -161.30059 909.61221
3240.0000 -169.48544 -161.82348 7.66196 2.64373 -161.59623 880.59572
3245.0000 -169.63169 -160.47791 9.15378 2.67340 -161.09224 892.14648
3250.0000 -169.05417 -159.89238 9.16179 2.69760 -160.68127 923.74223
FREEZING PROCESS: loop number 14 T-loop= 925.00000000000000
main_MD> interactions number 14 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.19309 2.27393 -2.84567
force_rgl> df(natom) -4.37033 -1.46313 2.57616
3255.0000 -167.09425 -158.77032 8.32393 2.75369 -159.72859 956.12313
3260.0000 -167.32867 -158.87598 8.45269 2.78225 -159.24344 972.25468
3265.0000 -168.35629 -160.80008 7.55621 2.76809 -159.48396 932.20281
3270.0000 -169.83488 -161.75299 8.08188 2.73633 -160.02354 941.44779
3275.0000 -169.30731 -162.53141 6.77590 2.60243 -162.29768 848.31058
3280.0000 -167.20653 -160.85899 6.34753 2.64996 -161.49040 877.33006
3285.0000 -167.87049 -160.60938 7.26111 2.71052 -160.46192 903.91030
3290.0000 -168.36330 -160.60255 7.76075 2.72415 -160.23036 914.50327
3295.0000 -168.09990 -160.12312 7.97679 2.66786 -161.18648 894.56297
3300.0000 -171.47780 -162.39439 9.08340 2.70239 -160.59997 909.25452
3305.0000 -171.20510 -163.73440 7.47070 2.61881 -162.01955 863.54912
3310.0000 -171.30728 -161.90988 9.39739 2.60920 -162.18284 894.56180
3315.0000 -170.57990 -161.91864 8.66125 2.62900 -161.84645 864.54439
3320.0000 -169.35683 -161.24605 8.11077 2.64138 -161.63614 915.19116
3325.0000 -168.50375 -158.56619 9.93756 2.75706 -159.67138 942.37924
3330.0000 -169.04241 -160.36408 8.67833 2.78913 -159.12657 993.18518
3335.0000 -168.32153 -159.60975 8.71178 2.74754 -159.83301 952.28709
3340.0000 -170.18559 -160.62754 9.55805 2.73524 -160.04200 919.41239
3345.0000 -170.41931 -159.74465 10.67466 2.72290 -160.25152 923.53235
3350.0000 -169.18171 -160.88690 8.29481 2.71394 -160.40374 938.00158
3355.0000 -167.94221 -159.53451 8.40771 2.65990 -161.32154 914.22939
3360.0000 -168.35393 -160.04678 8.30715 2.72991 -160.13245 943.58556
3365.0000 -168.89327 -160.13918 8.75409 2.80092 -158.92640 993.40375
3370.0000 -169.36452 -159.67678 9.68774 2.77372 -159.38833 973.31273
3375.0000 -168.20626 -159.57805 8.62821 2.76800 -159.48562 946.52633
3380.0000 -166.87859 -158.82559 8.05300 2.75553 -159.69735 940.90290
3385.0000 -169.25393 -160.84431 8.40963 2.74264 -159.91624 939.87969
3390.0000 -168.90833 -160.89861 8.00972 2.67730 -161.02605 914.74586
3395.0000 -168.93681 -160.71700 8.21981 2.64860 -161.51350 869.50941
3400.0000 -167.57915 -158.41993 9.15922 2.72767 -160.17059 917.44170
3405.0000 -169.63480 -159.03863 10.59617 2.79719 -158.98970 973.95357
3410.0000 -168.62785 -160.49986 8.12799 2.73092 -160.11542 945.63239
3415.0000 -169.31003 -161.59516 7.71487 2.69329 -160.75444 900.29734
3420.0000 -170.63718 -164.49061 6.14657 2.58505 -162.59290 843.23916
3425.0000 -170.27849 -162.16086 8.11764 2.56715 -162.89706 813.58357
3430.0000 -168.95484 -161.32053 7.63431 2.60168 -162.31040 830.91186
3435.0000 -169.71243 -160.53169 9.18074 2.70054 -160.63143 931.72435
3440.0000 -170.14117 -161.39067 8.75050 2.68295 -160.93008 888.51992
3445.0000 -168.95109 -160.65257 8.29852 2.66618 -161.21487 896.80904
3450.0000 -169.44289 -159.77232 9.67057 2.66670 -161.20614 874.05415
3455.0000 -168.41661 -161.88659 6.53001 2.70389 -160.57445 903.74836
3460.0000 -167.69881 -160.83070 6.86810 2.71231 -160.43140 918.80881
3465.0000 -168.31196 -159.82565 8.48630 2.73836 -159.98905 930.92721
3470.0000 -169.90748 -161.56934 8.33814 2.69706 -160.69053 916.83926
3475.0000 -168.40980 -160.17865 8.23115 2.71797 -160.33525 901.31780
3480.0000 -167.69511 -160.10250 7.59260 2.75539 -159.69972 938.87933
3485.0000 -168.77142 -160.40059 8.37083 2.71459 -160.39276 950.84372
3490.0000 -169.53552 -161.95831 7.57720 2.69188 -160.77850 904.14691
3495.0000 -169.69866 -160.98923 8.70942 2.61829 -162.02833 831.35796
3500.0000 -169.07194 -160.95617 8.11577 2.67751 -161.02251 914.86474
FREEZING PROCESS: loop number 15 T-loop= 900.00000000000000
main_MD> interactions number 15 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.88492 -2.11294 -2.96676
force_rgl> df(natom) 2.25149 -1.31959 1.66429
3505.0000 -168.68896 -159.18883 9.50013 2.71584 -160.37153 921.27236
3510.0000 -168.40172 -159.90261 8.49911 2.77780 -159.31906 984.13875
3515.0000 -169.24883 -160.91444 8.33439 2.68707 -160.86020 895.10102
3520.0000 -169.79005 -161.10348 8.68657 2.68665 -160.86730 920.13039
3525.0000 -168.68689 -161.77096 6.91593 2.69172 -160.78115 934.05415
3530.0000 -169.04510 -160.69425 8.35085 2.65907 -161.33565 895.67452
3535.0000 -169.88079 -162.11995 7.76085 2.61384 -162.10398 834.46016
3540.0000 -168.78990 -161.13421 7.65569 2.64727 -161.53608 895.60134
3545.0000 -169.04832 -161.04050 8.00782 2.69520 -160.72199 937.28239
3550.0000 -168.83396 -159.80081 9.03315 2.69511 -160.72358 911.65337
3555.0000 -169.19075 -159.94296 9.24779 2.71914 -160.31540 922.23355
3560.0000 -168.04085 -159.77734 8.26351 2.75624 -159.68523 938.11777
3565.0000 -167.63425 -159.59019 8.04406 2.73338 -160.07352 945.21239
3570.0000 -169.87564 -161.49280 8.38284 2.66832 -161.17854 870.55135
3575.0000 -168.62561 -159.18258 9.44303 2.72462 -160.22227 947.72686
3580.0000 -169.26347 -160.26777 8.99570 2.70721 -160.51814 936.20674
3585.0000 -170.65752 -161.54077 9.11675 2.65013 -161.48765 843.77133
3590.0000 -170.22433 -162.48878 7.73555 2.62079 -161.98589 854.36404
3595.0000 -169.70716 -162.42623 7.28092 2.62684 -161.88312 860.49859
3600.0000 -171.28556 -162.10650 9.17906 2.59170 -162.47991 849.77202
3605.0000 -170.18983 -161.90187 8.28796 2.65422 -161.41811 905.75205
3610.0000 -169.62928 -160.93023 8.69905 2.62566 -161.90316 860.65873
3615.0000 -170.15389 -161.67364 8.48025 2.62557 -161.90475 857.57164
3620.0000 -169.15254 -160.57951 8.57303 2.60896 -162.18686 835.61837
3625.0000 -169.16720 -161.54089 7.62631 2.67057 -161.14033 907.79042
3630.0000 -168.47879 -161.25284 7.22594 2.59532 -162.41854 856.77650
3635.0000 -170.26606 -162.10732 8.15875 2.66058 -161.31002 898.79686
3640.0000 -169.04913 -161.73915 7.30998 2.66416 -161.24934 879.61379
3645.0000 -168.78439 -160.84879 7.93560 2.69153 -160.78446 883.75462
3650.0000 -169.89218 -161.57971 8.31248 2.67164 -161.12217 902.35058
3655.0000 -168.92870 -161.93437 6.99433 2.62130 -161.97722 832.47379
3660.0000 -169.04654 -160.43611 8.61042 2.67927 -160.99261 909.87628
3665.0000 -168.42163 -161.86804 6.55359 2.67996 -160.98091 856.06448
3670.0000 -168.88545 -159.36748 9.51797 2.66457 -161.24225 888.97828
3675.0000 -168.37229 -159.65272 8.71957 2.78750 -159.15429 971.32281
3680.0000 -169.38073 -160.53033 8.85040 2.73764 -160.00113 931.57563
3685.0000 -169.32347 -161.69345 7.63002 2.68143 -160.95585 915.24954
3690.0000 -167.70932 -159.75261 7.95671 2.70157 -160.61388 917.00242
3695.0000 -169.32747 -162.61287 6.71460 2.65459 -161.41188 845.55727
3700.0000 -168.39392 -160.38423 8.00969 2.66140 -161.29615 884.18467
3705.0000 -167.22885 -158.98265 8.24621 2.77187 -159.41979 925.53255
3710.0000 -169.20524 -160.17735 9.02789 2.78321 -159.22721 950.73966
3715.0000 -168.96083 -162.21853 6.74230 2.70692 -160.52293 917.05843
3720.0000 -168.47183 -159.77388 8.69795 2.70521 -160.55199 928.21550
3725.0000 -169.79321 -162.13282 7.66039 2.66135 -161.29694 883.60781
3730.0000 -168.98879 -160.99527 7.99351 2.65711 -161.36894 878.94905
3735.0000 -168.24642 -159.90578 8.34063 2.69459 -160.73245 932.19355
3740.0000 -170.73687 -163.96403 6.77284 2.62544 -161.90688 869.15545
3745.0000 -170.66904 -161.87477 8.79427 2.57449 -162.77239 857.25425
3750.0000 -170.80115 -162.28637 8.51478 2.61866 -162.02204 887.58130
FREEZING PROCESS: loop number 16 T-loop= 875.00000000000000
main_MD> interactions number 16 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23706 -1.77212 -0.38855
force_rgl> df(natom) 1.35096 1.95788 -0.06550
3755.0000 -169.27381 -162.73100 6.54281 2.58555 -162.58442 829.23936
3760.0000 -171.43783 -162.34303 9.09480 2.56176 -162.98846 810.61759
3765.0000 -170.02294 -162.83800 7.18494 2.60207 -162.30385 835.15752
3770.0000 -170.52598 -164.38701 6.13897 2.47391 -164.48073 756.11903
3775.0000 -170.89410 -163.73273 7.16137 2.49741 -164.08145 809.77998
3780.0000 -169.34138 -161.91877 7.42261 2.59391 -162.44251 847.12690
3785.0000 -170.20679 -163.27716 6.92964 2.57245 -162.80691 821.18819
3790.0000 -169.11931 -161.79503 7.32428 2.62163 -161.97163 850.40973
3795.0000 -170.86880 -163.08736 7.78144 2.62881 -161.84970 846.54810
3800.0000 -171.40511 -163.91160 7.49351 2.52114 -163.67844 825.18938
3805.0000 -170.01341 -162.72340 7.29001 2.57760 -162.71945 837.21559
3810.0000 -170.55225 -162.31881 8.23344 2.63008 -161.82808 863.85730
3815.0000 -169.96023 -161.69313 8.26710 2.59709 -162.38848 866.05802
3820.0000 -169.55758 -161.73854 7.81903 2.66366 -161.25776 909.54723
3825.0000 -169.14113 -160.43881 8.70232 2.71973 -160.30539 939.38355
3830.0000 -168.27130 -159.61284 8.65846 2.73044 -160.12352 955.40144
3835.0000 -168.80743 -160.32506 8.48237 2.73546 -160.03816 958.93419
3840.0000 -168.77788 -160.86533 7.91255 2.67584 -161.05087 909.17598
3845.0000 -168.81756 -161.58608 7.23149 2.65832 -161.34844 866.74066
3850.0000 -171.10678 -162.84931 8.25747 2.63122 -161.80878 864.42881
3855.0000 -170.78000 -160.46441 10.31560 2.67229 -161.11117 917.18229
3860.0000 -169.12271 -160.42346 8.69925 2.72888 -160.14994 948.56899
3865.0000 -168.76473 -160.54679 8.21795 2.68186 -160.94865 897.65037
3870.0000 -170.00145 -162.72178 7.27966 2.62371 -161.93636 846.65854
3875.0000 -170.21834 -161.70281 8.51553 2.63176 -161.79962 884.90099
3880.0000 -169.45209 -160.99675 8.45534 2.64355 -161.59933 897.26211
3885.0000 -170.20286 -163.65304 6.54982 2.61407 -162.09998 870.67625
3890.0000 -170.15311 -163.50586 6.64725 2.53945 -163.36740 843.92674
3895.0000 -171.04489 -161.73215 9.31274 2.59887 -162.35828 878.72479
3900.0000 -170.24167 -162.86298 7.37869 2.62595 -161.89830 863.52909
3905.0000 -170.87951 -163.39094 7.48857 2.54507 -163.27205 823.09707
3910.0000 -169.34343 -161.26238 8.08105 2.62479 -161.91795 867.67158
3915.0000 -169.78199 -162.52847 7.25352 2.60197 -162.30559 827.11150
3920.0000 -169.62167 -162.59231 7.02937 2.58554 -162.58460 824.75467
3925.0000 -169.20731 -160.84572 8.36159 2.64879 -161.51034 889.15400
3930.0000 -169.01277 -160.41120 8.60158 2.67663 -161.03748 902.31404
3935.0000 -168.60062 -159.60861 8.99201 2.72051 -160.29222 938.03688
3940.0000 -169.07614 -161.92984 7.14630 2.69378 -160.74624 902.37991
3945.0000 -168.17315 -161.39988 6.77328 2.67207 -161.11498 908.52352
3950.0000 -169.83723 -162.58285 7.25438 2.64986 -161.49212 897.81208
3955.0000 -170.07751 -162.40654 7.67097 2.56077 -163.00533 825.65827
3960.0000 -170.01034 -162.09744 7.91290 2.65062 -161.47932 874.55660
3965.0000 -169.76840 -162.56866 7.19974 2.63172 -161.80022 852.23097
3970.0000 -170.69072 -163.10198 7.58874 2.56652 -162.90773 802.75471
3975.0000 -171.29133 -164.58961 6.70172 2.53097 -163.51148 801.47314
3980.0000 -168.08052 -161.01906 7.06147 2.54441 -163.28314 809.34514
3985.0000 -170.23343 -162.15435 8.07907 2.74150 -159.93560 925.88039
3990.0000 -168.54888 -160.38005 8.16882 2.66729 -161.19614 898.06801
3995.0000 -169.88638 -161.34726 8.53912 2.69558 -160.71551 916.13491
4000.0000 -168.57185 -161.13818 7.43367 2.65181 -161.45906 879.43852
FREEZING PROCESS: loop number 17 T-loop= 850.00000000000000
main_MD> interactions number 17 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.43712 -0.70361 1.59294
force_rgl> df(natom) -1.67102 1.15301 -2.94337
4005.0000 -169.91501 -161.86047 8.05454 2.65532 -161.39942 868.17296
4010.0000 -168.81244 -161.37028 7.44216 2.67996 -160.98086 908.71150
4015.0000 -168.43007 -161.20489 7.22518 2.67144 -161.12553 871.55373
4020.0000 -171.01530 -162.99022 8.02508 2.63799 -161.69380 877.16704
4025.0000 -171.54860 -164.30395 7.24465 2.53757 -163.39936 818.64331
4030.0000 -170.33841 -163.82875 6.50965 2.51481 -163.78591 776.67601
4035.0000 -170.55723 -162.28472 8.27251 2.54122 -163.33746 801.07605
4040.0000 -169.92876 -162.43812 7.49064 2.61513 -162.08208 895.97401
4045.0000 -168.14690 -161.30262 6.84428 2.60958 -162.17639 852.47010
4050.0000 -170.58717 -163.14335 7.44382 2.59645 -162.39927 833.29116
4055.0000 -171.62244 -163.62270 7.99974 2.52959 -163.53494 817.10852
4060.0000 -169.97091 -161.73260 8.23832 2.62700 -161.88049 864.81523
4065.0000 -170.10954 -161.41295 8.69659 2.61068 -162.15765 861.71590
4070.0000 -170.26663 -161.36085 8.90578 2.65436 -161.41577 879.92290
4075.0000 -168.74379 -161.27858 7.46521 2.65603 -161.38736 915.02650
4080.0000 -170.19306 -161.70471 8.48835 2.67336 -161.09304 909.30721
4085.0000 -171.17539 -165.06380 6.11159 2.58767 -162.54843 863.69542
4090.0000 -172.22978 -165.18702 7.04277 2.47487 -164.46431 764.71461
4095.0000 -170.77074 -163.44465 7.32609 2.46604 -164.61438 772.42852
4100.0000 -171.12289 -164.53147 6.59142 2.51276 -163.82080 808.19388
4105.0000 -171.08417 -163.59337 7.49080 2.49844 -164.06406 815.60187
4110.0000 -170.08885 -162.32923 7.75962 2.54404 -163.28942 825.00845
4115.0000 -170.43060 -162.34266 8.08794 2.60851 -162.19444 849.78498
4120.0000 -169.46016 -162.71969 6.74047 2.59952 -162.34711 833.59350
4125.0000 -169.44728 -160.12589 9.32139 2.63208 -161.79416 868.71811
4130.0000 -169.87965 -161.69984 8.17981 2.64294 -161.60971 885.65859
4135.0000 -170.85716 -162.41462 8.44255 2.60002 -162.33871 843.28718
4140.0000 -168.95592 -161.69738 7.25854 2.63535 -161.73857 866.09328
4145.0000 -170.62392 -163.46623 7.15768 2.60806 -162.20210 845.30213
4150.0000 -169.06716 -161.24286 7.82430 2.61010 -162.16750 848.55092
4155.0000 -169.25614 -160.57856 8.67759 2.71845 -160.32713 949.91091
4160.0000 -168.21666 -161.15005 7.06661 2.64741 -161.53382 865.06546
4165.0000 -169.73972 -161.16681 8.57291 2.63400 -161.76154 879.33244
4170.0000 -169.01566 -162.06480 6.95086 2.66770 -161.18909 919.18907
4175.0000 -171.12753 -161.01770 10.10983 2.59368 -162.44629 853.48511
4180.0000 -171.02247 -164.51287 6.50960 2.55472 -163.10803 833.20236
4185.0000 -170.71370 -162.49092 8.22278 2.52256 -163.65441 807.48667
4190.0000 -170.19354 -163.47833 6.71521 2.58688 -162.56194 840.23075
4195.0000 -171.94638 -163.85755 8.08883 2.56713 -162.89725 850.97644
4200.0000 -168.68481 -161.24148 7.44333 2.58653 -162.56774 845.43738
4205.0000 -170.18630 -163.73509 6.45121 2.58271 -162.63262 819.43938
4210.0000 -170.18784 -162.98236 7.20548 2.53079 -163.51452 810.12333
4215.0000 -170.25261 -163.02988 7.22272 2.52138 -163.67436 813.01244
4220.0000 -169.86369 -162.29525 7.56844 2.58985 -162.51141 846.37209
4225.0000 -170.08885 -162.99592 7.09292 2.58072 -162.66651 847.40837
4230.0000 -171.78377 -162.68035 9.10342 2.61864 -162.02243 858.37927
4235.0000 -168.70202 -161.21612 7.48590 2.63414 -161.75923 872.21455
4240.0000 -170.49072 -162.06742 8.42330 2.65114 -161.47043 879.34642
4245.0000 -169.03634 -162.00741 7.02893 2.62348 -161.94026 884.96307
4250.0000 -169.87564 -162.58419 7.29145 2.62453 -161.92242 852.46368
FREEZING PROCESS: loop number 18 T-loop= 825.00000000000000
main_MD> interactions number 18 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35228 0.98143 -0.29342
force_rgl> df(natom) 1.20775 -3.05348 -0.91078
4255.0000 -170.35468 -163.36689 6.98779 2.55042 -163.18117 787.92311
4260.0000 -170.33845 -162.71710 7.62136 2.57647 -162.73861 806.90355
4265.0000 -170.65664 -163.05013 7.60651 2.58914 -162.52343 843.39185
4270.0000 -168.72828 -160.35247 8.37581 2.64692 -161.54201 852.08081
4275.0000 -169.46767 -161.00354 8.46413 2.68621 -160.87473 883.73301
4280.0000 -170.50795 -161.18374 9.32421 2.69196 -160.77712 889.44939
4285.0000 -171.37318 -163.80503 7.56815 2.57508 -162.76235 817.14894
4290.0000 -171.84565 -166.01684 5.82881 2.44199 -165.02289 763.33028
4295.0000 -170.90802 -164.33240 6.57562 2.44817 -164.91791 756.23334
4300.0000 -169.50062 -161.63327 7.86735 2.52886 -163.54738 779.26091
4305.0000 -168.15372 -160.14709 8.00663 2.62982 -161.83257 869.89542
4310.0000 -171.09774 -162.57004 8.52770 2.64034 -161.65391 875.18315
4315.0000 -169.53520 -162.11414 7.42105 2.58356 -162.61823 805.82750
4320.0000 -170.49018 -163.30274 7.18745 2.56706 -162.89845 827.76775
4325.0000 -170.65731 -162.92587 7.73145 2.59149 -162.48355 845.75472
4330.0000 -170.64727 -161.62402 9.02324 2.61089 -162.15397 860.50132
4335.0000 -171.06128 -162.30142 8.75987 2.56801 -162.88237 858.75019
4340.0000 -169.03741 -162.12427 6.91314 2.61448 -162.09304 861.07433
4345.0000 -171.72424 -163.81121 7.91303 2.55700 -163.06943 813.96501
4350.0000 -170.63947 -162.67589 7.96358 2.53333 -163.47140 809.35976
4355.0000 -169.41439 -162.53809 6.87629 2.56954 -162.85640 837.95247
4360.0000 -170.62321 -164.54561 6.07760 2.53825 -163.38786 814.71670
4365.0000 -171.26171 -164.20378 7.05793 2.50050 -164.02906 779.29349
4370.0000 -172.52699 -166.10440 6.42260 2.40240 -165.69521 723.18319
4375.0000 -172.92202 -166.28669 6.63533 2.37375 -166.18180 691.15482
4380.0000 -170.74034 -162.93859 7.80174 2.48039 -164.37055 789.16369
4385.0000 -170.56565 -163.43653 7.12912 2.54403 -163.28974 825.83993
4390.0000 -172.23276 -164.06691 8.16585 2.51902 -163.71450 790.92644
4395.0000 -170.57972 -163.92732 6.65240 2.51985 -163.70040 793.35286
4400.0000 -170.70818 -163.92735 6.78083 2.52621 -163.59238 806.13401
4405.0000 -172.31555 -165.51245 6.80310 2.48195 -164.34405 784.92721
4410.0000 -171.33617 -165.02221 6.31396 2.44845 -164.91317 746.62432
4415.0000 -171.94537 -164.33123 7.61414 2.53270 -163.48216 818.62370
4420.0000 -170.75352 -164.16982 6.58370 2.47855 -164.40180 786.58350
4425.0000 -170.72140 -163.40054 7.32086 2.54467 -163.27877 807.77821
4430.0000 -170.36907 -162.59911 7.76996 2.53294 -163.47809 799.09987
4435.0000 -168.99551 -161.06385 7.93166 2.63561 -161.73413 872.22189
4440.0000 -170.52876 -162.58980 7.93895 2.63406 -161.76050 856.71041
4445.0000 -171.25432 -163.72430 7.53002 2.55148 -163.16321 811.16439
4450.0000 -170.68278 -163.09725 7.58553 2.52327 -163.64232 803.57806
4455.0000 -170.94422 -163.73560 7.20861 2.57261 -162.80431 795.93340
4460.0000 -171.10255 -163.21268 7.88987 2.59217 -162.47198 834.49852
4465.0000 -171.52480 -165.15946 6.36534 2.50420 -163.96625 792.09075
4470.0000 -170.74586 -162.76569 7.98017 2.52254 -163.65469 800.24965
4475.0000 -169.06119 -162.55761 6.50357 2.54531 -163.26787 815.96387
4480.0000 -171.08595 -162.10792 8.97803 2.62189 -161.96724 866.40469
4485.0000 -170.46304 -163.05853 7.40451 2.58829 -162.53798 825.05917
4490.0000 -169.91382 -163.51973 6.39409 2.56362 -162.95685 817.99714
4495.0000 -170.29233 -163.02768 7.26466 2.54464 -163.27922 821.95737
4500.0000 -171.58716 -164.17450 7.41267 2.53164 -163.50008 823.56639
FREEZING PROCESS: loop number 19 T-loop= 800.00000000000000
main_MD> interactions number 19 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65364 -2.74812 -6.14809
force_rgl> df(natom) 1.14791 -1.12037 2.48480
4505.0000 -170.53165 -163.44663 7.08502 2.52359 -163.63692 800.41210
4510.0000 -171.15065 -164.49838 6.65227 2.53827 -163.38745 783.15059
4515.0000 -170.77370 -163.22279 7.55091 2.45634 -164.77908 738.00093
4520.0000 -170.68898 -163.54506 7.14392 2.54741 -163.23232 815.38007
4525.0000 -171.68647 -164.21728 7.46919 2.48758 -164.24839 772.95094
4530.0000 -170.41728 -162.82859 7.58869 2.51638 -163.75934 773.75017
4535.0000 -171.00392 -162.76172 8.24220 2.58805 -162.54207 840.97613
4540.0000 -171.99592 -165.21703 6.77890 2.52056 -163.68835 782.93458
4545.0000 -171.56581 -164.77447 6.79135 2.45416 -164.81606 748.20294
4550.0000 -170.91887 -163.49875 7.42011 2.51621 -163.76217 793.57697
4555.0000 -172.06370 -163.13222 8.93148 2.53390 -163.46176 808.63801
4560.0000 -170.64658 -163.95620 6.69038 2.46706 -164.59708 782.58254
4565.0000 -171.87878 -165.12540 6.75337 2.49794 -164.07243 800.67291
4570.0000 -171.00214 -164.40659 6.59556 2.44920 -164.90035 754.94857
4575.0000 -172.09881 -163.97884 8.11996 2.48654 -164.26610 788.06766
4580.0000 -171.45826 -165.57232 5.88594 2.45099 -164.86993 770.64697
4585.0000 -172.78385 -165.83463 6.94922 2.45025 -164.88248 746.72603
4590.0000 -172.50995 -165.18473 7.32522 2.39444 -165.83040 724.35060
4595.0000 -170.63610 -164.38994 6.24616 2.46612 -164.61303 779.91575
4600.0000 -169.88651 -162.95377 6.93274 2.49522 -164.11866 766.19492
4605.0000 -169.24918 -161.87472 7.37446 2.55525 -163.09914 844.48783
4610.0000 -168.92430 -161.92401 7.00030 2.61266 -162.12407 847.36536
4615.0000 -169.36105 -162.24172 7.11933 2.62358 -161.93850 896.22105
4620.0000 -172.12587 -163.81720 8.30867 2.57960 -162.68554 840.03285
4625.0000 -171.05960 -163.58045 7.47915 2.55351 -163.12859 811.56105
4630.0000 -171.97660 -164.22113 7.75547 2.49186 -164.17585 808.23750
4635.0000 -170.59948 -164.24373 6.35575 2.49569 -164.11076 784.95736
4640.0000 -170.45327 -163.54691 6.90637 2.52660 -163.58580 796.23132
4645.0000 -171.40537 -164.76960 6.63576 2.44830 -164.91564 745.79022
4650.0000 -171.67017 -165.30645 6.36372 2.42303 -165.34493 723.37118
4655.0000 -171.35674 -164.97764 6.37910 2.45966 -164.72274 761.25466
4660.0000 -171.69636 -163.56389 8.13247 2.52603 -163.59536 808.09155
4665.0000 -171.52275 -165.47814 6.04461 2.48082 -164.36323 786.11064
4670.0000 -171.26270 -164.09787 7.16483 2.44634 -164.94887 759.86217
4675.0000 -168.77059 -161.44485 7.32574 2.59653 -162.39788 850.64931
4680.0000 -170.14085 -161.69115 8.44970 2.65628 -161.38315 895.66678
4685.0000 -170.59272 -163.05318 7.53954 2.55831 -163.04712 839.65018
4690.0000 -170.47102 -162.60220 7.86882 2.56065 -163.00743 824.14380
4695.0000 -171.76541 -164.25870 7.50671 2.54413 -163.28792 811.38923
4700.0000 -172.90569 -165.72123 7.18446 2.40709 -165.61556 727.55598
4705.0000 -170.88414 -163.67397 7.21017 2.43948 -165.06547 755.31278
4710.0000 -171.66332 -164.85226 6.81106 2.51519 -163.77947 783.28910
4715.0000 -170.94768 -162.91738 8.03030 2.52415 -163.62735 827.90495
4720.0000 -170.17560 -163.50682 6.66878 2.49454 -164.13033 776.71612
4725.0000 -170.39735 -163.95031 6.44704 2.52500 -163.61291 787.04661
4730.0000 -171.12307 -164.26830 6.85476 2.46339 -164.65934 775.86645
4735.0000 -171.55588 -164.14030 7.41558 2.50992 -163.86902 794.00707
4740.0000 -171.61251 -163.72994 7.88257 2.50267 -163.99221 786.90413
4745.0000 -169.44050 -161.89343 7.54707 2.57736 -162.72358 825.75674
4750.0000 -170.54681 -163.08968 7.45713 2.58663 -162.56603 828.51763
FREEZING PROCESS: loop number 20 T-loop= 775.00000000000000
main_MD> interactions number 20 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02615 -0.24980 -0.85512
force_rgl> df(natom) 2.66271 1.46590 1.42788
4755.0000 -171.33091 -163.18731 8.14360 2.54144 -163.33358 796.97950
4760.0000 -171.32419 -165.43506 5.88914 2.49353 -164.14738 777.17476
4765.0000 -173.14002 -166.95435 6.18567 2.36579 -166.31715 715.53265
4770.0000 -173.42211 -166.26555 7.15656 2.34286 -166.70661 690.88317
4775.0000 -170.45614 -163.42630 7.02984 2.41216 -165.52951 739.86792
4780.0000 -171.17097 -164.69851 6.47246 2.48728 -164.25361 759.71830
4785.0000 -171.30493 -164.30734 6.99759 2.49225 -164.16922 754.18013
4790.0000 -170.48378 -163.53147 6.95231 2.50585 -163.93807 789.66095
4795.0000 -171.87943 -163.96846 7.91098 2.52455 -163.62052 801.29633
4800.0000 -170.49469 -163.56808 6.92662 2.52388 -163.63187 827.01337
4805.0000 -172.15822 -166.08953 6.06869 2.45689 -164.76977 754.86603
4810.0000 -172.39111 -165.27246 7.11865 2.39739 -165.78041 702.55596
4815.0000 -172.13528 -165.64782 6.48746 2.41937 -165.40696 723.82430
4820.0000 -173.54200 -166.91561 6.62639 2.32812 -166.95696 679.90085
4825.0000 -172.47816 -166.37033 6.10783 2.34881 -166.60549 710.87872
4830.0000 -172.36741 -166.00709 6.36033 2.38324 -166.02076 710.39844
4835.0000 -172.03789 -164.92055 7.11734 2.41182 -165.53526 724.13064
4840.0000 -171.85809 -163.90940 7.94869 2.44998 -164.88717 760.51576
4845.0000 -170.60815 -163.45892 7.14923 2.46847 -164.57306 763.51592
4850.0000 -170.87018 -164.01291 6.85726 2.54343 -163.29984 814.55789
4855.0000 -171.17394 -164.28710 6.88684 2.45643 -164.77755 782.70895
4860.0000 -170.45671 -162.88781 7.56890 2.50112 -164.01855 788.17998
4865.0000 -172.23579 -165.01362 7.22218 2.51395 -163.80050 798.21146
4870.0000 -169.81850 -163.77643 6.04206 2.46200 -164.68290 742.47672
4875.0000 -170.84610 -163.42046 7.42563 2.51613 -163.76361 807.94151
4880.0000 -172.42429 -165.46962 6.95467 2.48309 -164.32471 785.67872
4885.0000 -172.37922 -165.20716 7.17206 2.41619 -165.46104 738.53820
4890.0000 -169.82469 -162.85004 6.97464 2.49113 -164.18816 774.51979
4895.0000 -170.38217 -163.32080 7.06137 2.53480 -163.44637 797.57106
4900.0000 -169.55567 -162.09616 7.45951 2.57351 -162.78891 814.64711
4905.0000 -170.94729 -163.96925 6.97804 2.54565 -163.26221 819.89487
4910.0000 -172.20681 -164.41771 7.78910 2.48707 -164.25708 777.06594
4915.0000 -170.64084 -163.30977 7.33107 2.52929 -163.54000 808.60523
4920.0000 -171.77275 -164.07512 7.69763 2.51083 -163.85357 791.54277
4925.0000 -170.60204 -163.07478 7.52726 2.51078 -163.85442 797.23138
4930.0000 -170.26911 -162.90729 7.36182 2.53404 -163.45928 821.19461
4935.0000 -169.95865 -163.06999 6.88866 2.59451 -162.43233 847.16063
4940.0000 -169.76843 -162.55307 7.21536 2.58366 -162.61660 864.32366
4945.0000 -170.73719 -163.81571 6.92147 2.54805 -163.22134 805.71823
4950.0000 -171.59402 -163.40474 8.18928 2.54981 -163.19142 831.31258
4955.0000 -170.46557 -163.34207 7.12350 2.54336 -163.30099 820.24456
4960.0000 -170.91082 -164.68400 6.22682 2.49650 -164.09692 768.59769
4965.0000 -171.78680 -164.88520 6.90159 2.44819 -164.91745 753.85882
4970.0000 -170.85485 -163.24251 7.61234 2.51476 -163.78685 785.47887
4975.0000 -171.64570 -164.89423 6.75147 2.51470 -163.78790 798.66555
4980.0000 -170.62532 -163.95514 6.67018 2.47382 -164.48220 767.17833
4985.0000 -171.19208 -163.85947 7.33260 2.49234 -164.16762 782.04909
4990.0000 -172.69351 -165.78705 6.90646 2.47362 -164.48558 761.70224
4995.0000 -172.61776 -166.44373 6.17404 2.35404 -166.51660 684.75231
5000.0000 -171.85421 -165.03590 6.81831 2.40528 -165.64635 739.65100
FREEZING PROCESS: loop number 21 T-loop= 750.00000000000000
main_MD> interactions number 21 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91214 0.96162 -4.83317
force_rgl> df(natom) -1.42793 1.95857 3.06683
5005.0000 -171.71264 -165.45790 6.25474 2.43171 -165.19741 728.35340
5010.0000 -172.37259 -165.57566 6.79693 2.42949 -165.23521 735.93224
5015.0000 -171.83974 -164.97846 6.86128 2.42290 -165.34699 726.04442
5020.0000 -171.32733 -164.97097 6.35636 2.44820 -164.91734 741.55490
5025.0000 -171.48403 -164.69150 6.79253 2.45274 -164.84025 749.42673
5030.0000 -172.36502 -164.01417 8.35086 2.50720 -163.91527 797.33696
5035.0000 -172.81162 -165.93143 6.88018 2.47284 -164.49887 793.92684
5040.0000 -170.44298 -163.67675 6.76623 2.44136 -165.03358 731.97947
5045.0000 -171.13614 -164.27501 6.86112 2.48434 -164.30353 765.78761
5050.0000 -171.42522 -165.69685 5.72837 2.43367 -165.16405 713.19974
5055.0000 -171.02137 -164.95589 6.06548 2.44177 -165.02652 753.13241
5060.0000 -172.48019 -164.69519 7.78500 2.43193 -165.19363 741.98485
5065.0000 -172.31499 -165.87993 6.43506 2.44917 -164.90080 735.79655
5070.0000 -172.88264 -165.85213 7.03051 2.41907 -165.41219 746.64908
5075.0000 -171.79626 -165.13624 6.66002 2.39250 -165.86341 717.51547
5080.0000 -172.20823 -165.47927 6.72896 2.43864 -165.07974 719.42508
5085.0000 -169.83414 -163.31599 6.51815 2.43973 -165.06123 730.31317
5090.0000 -170.75222 -163.62742 7.12479 2.48209 -164.34170 792.20664
5095.0000 -173.02842 -165.93704 7.09138 2.45905 -164.73312 759.40721
5100.0000 -171.73821 -164.77122 6.96699 2.40184 -165.70470 713.91515
5105.0000 -171.71488 -165.63876 6.07612 2.42558 -165.30159 738.76643
5110.0000 -172.69503 -165.13117 7.56386 2.40379 -165.67159 704.94096
5115.0000 -171.51334 -163.57662 7.93672 2.49340 -164.14964 781.51602
5120.0000 -169.28958 -163.75588 5.53369 2.48292 -164.32762 782.72370
5125.0000 -171.88003 -164.90801 6.97203 2.48578 -164.27902 718.52824
5130.0000 -170.89800 -164.93356 5.96444 2.44105 -165.03884 746.65158
5135.0000 -171.61095 -165.34685 6.26410 2.42534 -165.30560 730.23490
5140.0000 -171.59915 -164.84131 6.75784 2.41832 -165.42484 712.22016
5145.0000 -171.19850 -165.03889 6.15961 2.44782 -164.92386 729.68804
5150.0000 -172.29478 -165.48957 6.80521 2.39717 -165.78409 691.28303
5155.0000 -172.68449 -165.40585 7.27863 2.41100 -165.54926 746.99975
5160.0000 -172.42564 -165.91607 6.50957 2.39313 -165.85271 727.46634
5165.0000 -170.67267 -163.96385 6.70882 2.42956 -165.23396 716.20153
5170.0000 -171.40796 -164.48243 6.92553 2.49295 -164.15723 809.11643
5175.0000 -170.27999 -163.98943 6.29055 2.52086 -163.68321 804.14248
5180.0000 -172.03739 -164.60143 7.43596 2.47523 -164.45819 765.65763
5185.0000 -171.72223 -165.12857 6.59366 2.46537 -164.62571 766.27678
5190.0000 -171.44110 -164.14184 7.29926 2.43051 -165.21786 734.41110
5195.0000 -169.10235 -162.89434 6.20801 2.54675 -163.24344 790.08485
5200.0000 -170.73107 -164.15608 6.57499 2.49602 -164.10505 778.20274
5205.0000 -172.38436 -164.73135 7.65301 2.49220 -164.16998 785.32099
5210.0000 -171.70051 -164.17158 7.52893 2.42754 -165.26833 764.87557
5215.0000 -170.94713 -165.04998 5.89714 2.43778 -165.09427 754.94138
5220.0000 -170.44314 -163.90146 6.54167 2.48221 -164.33976 776.75626
5225.0000 -171.46587 -165.16882 6.29705 2.45124 -164.86570 731.28943
5230.0000 -172.42799 -165.38488 7.04311 2.41323 -165.51133 715.86588
5235.0000 -171.81586 -165.89687 5.91900 2.42964 -165.23261 705.20638
5240.0000 -171.91612 -165.58198 6.33413 2.37810 -166.10797 700.83736
5245.0000 -170.92493 -164.37648 6.54845 2.46433 -164.64340 773.08400
5250.0000 -171.49847 -164.24955 7.24892 2.47911 -164.39237 768.47394
FREEZING PROCESS: loop number 22 T-loop= 725.00000000000000
main_MD> interactions number 22 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85163 2.25144 -0.52951
force_rgl> df(natom) 2.56937 -1.98728 1.03387
5255.0000 -172.72214 -165.81850 6.90365 2.47001 -164.54697 741.58278
5260.0000 -172.36906 -166.12633 6.24273 2.41930 -165.40820 746.53120
5265.0000 -172.51474 -167.45797 5.05677 2.37876 -166.09679 709.52031
5270.0000 -173.07573 -167.21862 5.85711 2.31541 -167.17274 650.74895
5275.0000 -171.93199 -166.00752 5.92447 2.36005 -166.41451 684.54421
5280.0000 -172.26868 -165.77725 6.49143 2.39966 -165.74186 752.71075
5285.0000 -172.26047 -165.63280 6.62767 2.38388 -166.00977 716.71820
5290.0000 -172.07130 -166.00570 6.06560 2.35866 -166.43822 716.07443
5295.0000 -170.16796 -164.10452 6.06344 2.42818 -165.25742 748.00908
5300.0000 -171.05784 -164.68820 6.36964 2.49947 -164.04654 758.03473
5305.0000 -172.21099 -166.32768 5.88332 2.40923 -165.57922 716.51015
5310.0000 -171.80731 -165.68985 6.11747 2.35969 -166.42061 685.49999
5315.0000 -172.73061 -165.45969 7.27092 2.44087 -165.04179 744.33416
5320.0000 -171.98771 -164.89332 7.09440 2.42166 -165.36813 692.85925
5325.0000 -171.64715 -164.54122 7.10593 2.44104 -165.03888 745.35515
5330.0000 -171.20015 -164.89614 6.30401 2.44719 -164.93457 766.23133
5335.0000 -173.56574 -166.05788 7.50785 2.41826 -165.42593 732.46279
5340.0000 -172.17857 -165.57393 6.60464 2.39061 -165.89543 748.19393
5345.0000 -172.00265 -165.43092 6.57173 2.43090 -165.21111 768.22077
5350.0000 -172.30344 -165.70740 6.59604 2.38669 -165.96207 702.91969
5355.0000 -171.22800 -163.06704 8.16095 2.49488 -164.12448 779.54071
5360.0000 -172.92390 -166.78155 6.14235 2.44256 -165.01322 767.14480
5365.0000 -171.70608 -165.57311 6.13297 2.42276 -165.34946 736.85589
5370.0000 -173.06167 -167.02033 6.04134 2.33482 -166.84304 669.32386
5375.0000 -172.01734 -165.27873 6.73861 2.37188 -166.21364 682.43619
5380.0000 -172.50250 -166.17783 6.32467 2.39147 -165.88096 732.97252
5385.0000 -172.35109 -166.18791 6.16318 2.35428 -166.51264 682.69376
5390.0000 -173.30320 -165.46479 7.83841 2.41688 -165.44936 733.75960
5395.0000 -173.46299 -168.02467 5.43832 2.31093 -167.24883 647.89368
5400.0000 -172.97250 -167.08374 5.88876 2.31422 -167.19293 679.82255
5405.0000 -173.83636 -166.83793 6.99843 2.29953 -167.44246 672.56195
5410.0000 -173.33213 -166.36150 6.97063 2.35329 -166.52947 710.57287
5415.0000 -171.54255 -164.15560 7.38695 2.43900 -165.07369 736.79120
5420.0000 -171.61085 -164.10684 7.50401 2.49046 -164.19955 772.67142
5425.0000 -170.95366 -163.55029 7.40337 2.50081 -164.02377 777.54777
5430.0000 -171.69594 -165.32725 6.36869 2.44675 -164.94200 755.72349
5435.0000 -171.82870 -165.53998 6.28872 2.35272 -166.53899 660.93992
5440.0000 -171.76476 -165.44657 6.31819 2.39904 -165.75241 701.44917
5445.0000 -173.51809 -166.68804 6.83005 2.34988 -166.58730 704.81520
5450.0000 -172.35992 -166.17911 6.18081 2.41480 -165.48472 755.09698
5455.0000 -171.04195 -164.82539 6.21655 2.38725 -165.95256 726.12319
5460.0000 -171.70707 -165.33722 6.36986 2.48747 -164.25029 754.78336
5465.0000 -172.36799 -165.42714 6.94084 2.45584 -164.78761 769.13246
5470.0000 -172.68224 -165.66930 7.01295 2.37372 -166.18244 725.74572
5475.0000 -172.07761 -166.10260 5.97501 2.38838 -165.93332 700.94164
5480.0000 -172.12350 -165.25027 6.87323 2.42729 -165.27257 727.85285
5485.0000 -172.23329 -165.38958 6.84372 2.42544 -165.30393 739.23757
5490.0000 -171.59677 -165.33096 6.26581 2.38532 -165.98543 719.18306
5495.0000 -171.49800 -165.19222 6.30578 2.42546 -165.30360 729.92881
5500.0000 -170.03105 -163.02444 7.00661 2.50635 -163.92974 796.14465
FREEZING PROCESS: loop number 23 T-loop= 700.00000000000000
main_MD> interactions number 23 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38092 -3.07156 -1.45740
force_rgl> df(natom) -1.01069 -0.41171 0.45556
5505.0000 -171.99359 -164.09727 7.89632 2.49795 -164.07234 800.58531
5510.0000 -172.12765 -165.87232 6.25533 2.44704 -164.93698 729.53445
5515.0000 -172.37907 -166.90294 5.47612 2.34408 -166.68580 663.49404
5520.0000 -172.84564 -167.34114 5.50451 2.32428 -167.02219 645.69261
5525.0000 -172.44985 -166.34275 6.10710 2.32031 -167.08951 650.94082
5530.0000 -173.27314 -166.33203 6.94111 2.37908 -166.09127 709.31300
5535.0000 -173.30339 -166.78830 6.51509 2.35947 -166.42436 702.10138
5540.0000 -173.63316 -167.04743 6.58573 2.35620 -166.47991 686.23201
5545.0000 -172.22284 -166.51458 5.70825 2.34786 -166.62168 684.92315
5550.0000 -173.19392 -166.92592 6.26800 2.36686 -166.29886 708.12404
5555.0000 -172.52119 -167.25507 5.26612 2.31405 -167.19588 652.28819
5560.0000 -174.45464 -168.09768 6.35695 2.28601 -167.67214 648.60472
5565.0000 -172.58649 -167.61564 4.97084 2.26139 -168.09031 634.63910
5570.0000 -172.98104 -167.56610 5.41494 2.30704 -167.31491 649.93743
5575.0000 -171.46058 -166.15257 5.30801 2.33768 -166.79450 667.05666
5580.0000 -173.55475 -167.67398 5.88077 2.29065 -167.59337 647.53593
5585.0000 -172.41262 -165.98357 6.42905 2.35215 -166.54877 680.70355
5590.0000 -173.23870 -167.72489 5.51381 2.27092 -167.92852 632.45130
5595.0000 -172.64465 -167.68617 4.95848 2.30235 -167.39453 651.02523
5600.0000 -173.50867 -167.39312 6.11555 2.33706 -166.80509 663.59651
5605.0000 -173.48947 -167.07556 6.41392 2.36683 -166.29934 709.06465
5610.0000 -172.26398 -166.31916 5.94482 2.31274 -167.21816 671.99786
5615.0000 -172.81743 -166.71164 6.10579 2.35222 -166.54758 685.35101
5620.0000 -173.15834 -166.05933 7.09901 2.33955 -166.76283 662.56556
5625.0000 -172.33914 -165.80896 6.53018 2.38391 -166.00926 717.67596
5630.0000 -171.84183 -165.46834 6.37349 2.40842 -165.59302 731.26306
5635.0000 -173.02208 -166.64304 6.37904 2.38795 -165.94071 699.62884
5640.0000 -171.92402 -165.81576 6.10826 2.39213 -165.86966 713.83283
5645.0000 -170.85287 -164.39027 6.46259 2.42932 -165.23794 727.67860
5650.0000 -173.45975 -166.40884 7.05090 2.44416 -164.98596 744.08187
5655.0000 -174.07998 -168.31388 5.76610 2.31564 -167.16882 663.18314
5660.0000 -173.74933 -166.80450 6.94482 2.30029 -167.42956 661.42294
5665.0000 -171.98065 -166.11802 5.86263 2.34106 -166.73716 676.54842
5670.0000 -172.85670 -166.33384 6.52286 2.35337 -166.52811 682.95237
5675.0000 -173.13536 -166.84027 6.29509 2.32774 -166.96333 672.10046
5680.0000 -171.66770 -165.72809 5.93961 2.37267 -166.20028 708.94348
5685.0000 -172.90194 -166.52119 6.38075 2.36553 -166.32142 703.33312
5690.0000 -172.63611 -165.89759 6.73852 2.37450 -166.16915 702.24479
5695.0000 -171.54732 -165.25360 6.29372 2.43551 -165.13293 792.03841
5700.0000 -172.23991 -165.17505 7.06486 2.42025 -165.39203 716.33065
5705.0000 -171.43388 -165.76872 5.66515 2.43831 -165.08539 729.93082
5710.0000 -174.05042 -167.48493 6.56549 2.34409 -166.68572 686.16201
5715.0000 -173.46957 -167.49414 5.97544 2.27741 -167.81814 638.72286
5720.0000 -172.46584 -167.14235 5.32348 2.29106 -167.58631 645.60338
5725.0000 -174.31743 -169.01167 5.30577 2.25668 -168.17039 612.01625
5730.0000 -172.47338 -167.21993 5.25344 2.27170 -167.91514 630.06789
5735.0000 -171.56650 -165.57626 5.99024 2.37016 -166.24291 689.07439
5740.0000 -171.60931 -165.19848 6.41083 2.39890 -165.75477 723.32850
5745.0000 -173.21825 -167.11524 6.10301 2.36335 -166.35846 708.07727
5750.0000 -173.77183 -167.45207 6.31976 2.31704 -167.14516 658.54417
FREEZING PROCESS: loop number 24 T-loop= 675.00000000000000
main_MD> interactions number 24 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85570 -0.12584 -1.98639
force_rgl> df(natom) 0.69415 -2.72079 -4.34757
5755.0000 -171.64628 -165.61770 6.02858 2.38834 -165.93414 706.92103
5760.0000 -171.75654 -164.94741 6.80914 2.39153 -165.87995 711.61621
5765.0000 -172.12645 -165.69147 6.43497 2.42212 -165.36031 733.41324
5770.0000 -172.50538 -166.05329 6.45208 2.35040 -166.57850 694.54160
5775.0000 -173.62616 -166.75530 6.87086 2.35476 -166.50446 679.79795
5780.0000 -171.85771 -166.77360 5.08411 2.34829 -166.61437 671.05881
5785.0000 -172.58567 -166.79089 5.79478 2.34565 -166.65919 681.94096
5790.0000 -173.07465 -167.09233 5.98233 2.35074 -166.57268 685.19890
5795.0000 -172.83781 -166.26362 6.57419 2.36038 -166.40904 692.55272
5800.0000 -173.68961 -167.72729 5.96232 2.35677 -166.47031 692.57418
5805.0000 -172.88181 -167.72441 5.15740 2.29241 -167.56351 641.18923
5810.0000 -172.40551 -166.52687 5.87863 2.35941 -166.42545 678.42258
5815.0000 -173.78366 -168.12922 5.65444 2.29033 -167.59875 658.04036
5820.0000 -173.79396 -167.50162 6.29234 2.28357 -167.71363 651.14996
5825.0000 -173.62359 -168.58317 5.04042 2.25484 -168.20151 649.44591
5830.0000 -173.52372 -167.27270 6.25101 2.29702 -167.48519 666.55087
5835.0000 -172.64939 -167.76632 4.88308 2.29562 -167.50885 646.20993
5840.0000 -173.84202 -168.51230 5.32972 2.27104 -167.92640 643.47446
5845.0000 -173.60021 -167.67618 5.92403 2.28567 -167.67787 657.00100
5850.0000 -174.09075 -169.08296 5.00779 2.29634 -167.49668 684.70483
5855.0000 -173.89378 -168.09693 5.79685 2.24812 -168.31569 633.39246
5860.0000 -173.49434 -167.82306 5.67128 2.24944 -168.29336 631.75637
5865.0000 -173.28525 -166.92718 6.35807 2.29096 -167.58812 651.41288
5870.0000 -171.23955 -166.22118 5.01837 2.33373 -166.86160 677.88762
5875.0000 -172.70628 -166.17325 6.53302 2.38205 -166.04093 688.19941
5880.0000 -172.85576 -167.22874 5.62701 2.33011 -166.92309 667.78530
5885.0000 -173.62267 -167.40651 6.21617 2.34491 -166.67166 687.74588
5890.0000 -172.13505 -166.13686 5.99819 2.31442 -167.18965 651.06968
5895.0000 -172.85477 -165.87648 6.97828 2.33567 -166.82874 686.57586
5900.0000 -172.68304 -166.73627 5.94678 2.38752 -165.94804 718.50609
5905.0000 -173.42178 -166.86454 6.55724 2.33493 -166.84132 698.69357
5910.0000 -173.90057 -167.22916 6.67141 2.33338 -166.86748 681.50373
5915.0000 -174.12490 -167.83926 6.28564 2.29408 -167.53502 662.89751
5920.0000 -174.10644 -167.87382 6.23262 2.27880 -167.79455 648.70900
5925.0000 -173.54069 -167.31344 6.22725 2.32057 -167.08515 713.05169
5930.0000 -172.69907 -167.25456 5.44451 2.30992 -167.26598 705.00430
5935.0000 -172.21146 -167.49278 4.71869 2.28898 -167.62165 654.99216
5940.0000 -173.16363 -166.73017 6.43346 2.35289 -166.53626 685.52765
5945.0000 -172.30015 -166.57733 5.72282 2.34975 -166.58954 670.46914
5950.0000 -171.62179 -166.17532 5.44647 2.32518 -167.00690 667.94624
5955.0000 -173.68078 -167.25199 6.42879 2.33860 -166.77882 668.65507
5960.0000 -174.15346 -167.55476 6.59870 2.29089 -167.58928 656.25238
5965.0000 -173.11630 -167.70363 5.41266 2.28995 -167.60517 648.12268
5970.0000 -172.66938 -166.52950 6.13988 2.34102 -166.73779 645.07455
5975.0000 -172.85702 -166.72755 6.12948 2.33212 -166.88887 633.29640
5980.0000 -172.84548 -166.83859 6.00689 2.36579 -166.31701 678.32842
5985.0000 -172.80625 -167.20773 5.59852 2.34289 -166.70595 659.38740
5990.0000 -174.21001 -167.65485 6.55516 2.25631 -168.17651 611.11150
5995.0000 -173.25056 -167.06934 6.18122 2.28435 -167.70038 656.45327
6000.0000 -173.99834 -168.28250 5.71584 2.27894 -167.79215 657.48011
FREEZING PROCESS: loop number 25 T-loop= 650.00000000000000
main_MD> interactions number 25 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02676 -1.53328 0.61971
force_rgl> df(natom) 1.57443 1.42196 -0.55671
6005.0000 -173.39616 -167.77538 5.62077 2.25124 -168.26266 653.29044
6010.0000 -172.40136 -167.33134 5.07002 2.29493 -167.52062 643.60059
6015.0000 -172.80236 -167.25851 5.54385 2.29858 -167.45871 620.49647
6020.0000 -174.35073 -167.53949 6.81124 2.30983 -167.26757 650.32059
6025.0000 -174.07522 -167.82566 6.24955 2.28203 -167.73980 643.30665
6030.0000 -173.95189 -168.40430 5.54759 2.26283 -168.06581 637.70834
6035.0000 -174.19487 -168.04544 6.14942 2.25134 -168.26105 622.98569
6040.0000 -173.69562 -167.50493 6.19069 2.27365 -167.88201 641.60051
6045.0000 -173.39251 -167.43674 5.95577 2.30954 -167.27257 668.63859
6050.0000 -174.74833 -168.87012 5.87821 2.24793 -168.31897 630.94672
6055.0000 -173.65177 -168.50827 5.14350 2.25193 -168.25104 624.65571
6060.0000 -174.35543 -166.73028 7.62515 2.29476 -167.52343 649.24017
6065.0000 -173.04496 -166.00072 7.04423 2.34103 -166.73764 683.95062
6070.0000 -171.73564 -166.18692 5.54872 2.37888 -166.09476 674.43421
6075.0000 -172.78408 -166.19971 6.58437 2.37245 -166.20402 704.19427
6080.0000 -171.95670 -165.46810 6.48860 2.40909 -165.58156 719.05191
6085.0000 -173.23130 -166.74989 6.48141 2.39986 -165.73841 709.78964
6090.0000 -173.12975 -167.19350 5.93625 2.31948 -167.10371 656.90944
6095.0000 -173.18701 -167.40250 5.78451 2.31297 -167.21426 667.23543
6100.0000 -172.08807 -166.60473 5.48333 2.32803 -166.95841 648.70923
6105.0000 -174.74372 -168.10897 6.63475 2.32025 -167.09056 644.33881
6110.0000 -172.63513 -167.02715 5.60798 2.29412 -167.53443 657.02096
6115.0000 -174.40489 -166.41058 7.99431 2.36336 -166.35830 706.84293
6120.0000 -173.95779 -167.69179 6.26600 2.30794 -167.29963 681.12802
6125.0000 -173.89188 -167.65586 6.23602 2.28957 -167.61161 663.42750
6130.0000 -174.08984 -168.40962 5.68022 2.24896 -168.30145 604.21641
6135.0000 -173.91698 -167.87716 6.03982 2.28849 -167.62994 627.33609
6140.0000 -173.36454 -167.91423 5.45031 2.27671 -167.83012 631.03275
6145.0000 -172.98920 -167.52184 5.46737 2.30202 -167.40014 648.36406
6150.0000 -172.20902 -166.19105 6.01797 2.37301 -166.19439 699.93413
6155.0000 -173.27244 -167.82710 5.44533 2.30403 -167.36602 624.23096
6160.0000 -173.34627 -168.07055 5.27572 2.29080 -167.59078 651.43014
6165.0000 -173.49639 -167.29461 6.20178 2.28648 -167.66417 652.91245
6170.0000 -172.36187 -166.65894 5.70293 2.31134 -167.24193 670.98369
6175.0000 -174.44117 -168.06266 6.37851 2.30395 -167.36742 666.91664
6180.0000 -173.90134 -168.58703 5.31432 2.25589 -168.18367 613.86493
6185.0000 -173.85280 -168.13944 5.71337 2.26263 -168.06923 625.09860
6190.0000 -173.04236 -167.01952 6.02285 2.31008 -167.26327 656.36006
6195.0000 -172.29529 -165.72862 6.56668 2.36212 -166.37946 673.13172
6200.0000 -172.21629 -166.44282 5.77347 2.39213 -165.86977 684.11348
6205.0000 -171.56013 -165.50465 6.05548 2.39214 -165.86957 693.60090
6210.0000 -172.98344 -165.86125 7.12219 2.39831 -165.76464 709.51500
6215.0000 -173.01382 -167.44002 5.57380 2.36148 -166.39025 708.85588
6220.0000 -173.00685 -167.78082 5.22603 2.32274 -167.04821 656.88528
6225.0000 -172.58473 -168.24957 4.33516 2.24296 -168.40329 594.28036
6230.0000 -173.50053 -167.11010 6.39042 2.28265 -167.72916 648.74676
6235.0000 -173.28388 -166.20791 7.07596 2.33422 -166.85326 673.80495
6240.0000 -171.81586 -166.73565 5.08021 2.35416 -166.51461 671.70810
6245.0000 -172.22102 -166.92873 5.29229 2.29608 -167.50117 639.10642
6250.0000 -173.61803 -167.65170 5.96632 2.31502 -167.17932 665.38249
FREEZING PROCESS: loop number 26 T-loop= 625.00000000000000
main_MD> interactions number 26 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17837 -1.02206 0.94001
force_rgl> df(natom) -2.89201 2.20903 0.02577
6255.0000 -173.43612 -168.27231 5.16381 2.27344 -167.88556 616.51767
6260.0000 -173.03869 -167.52048 5.51821 2.28759 -167.64536 613.23286
6265.0000 -172.98056 -167.69875 5.28181 2.27929 -167.78622 624.43157
6270.0000 -173.75687 -167.94773 5.80913 2.25697 -168.16535 606.79270
6275.0000 -173.16487 -167.33383 5.83104 2.27376 -167.88022 597.29545
6280.0000 -174.43479 -168.53655 5.89824 2.24373 -168.39026 623.83023
6285.0000 -172.76583 -167.29218 5.47365 2.27822 -167.80446 638.56130
6290.0000 -172.83128 -167.81190 5.01938 2.30324 -167.37950 666.62308
6295.0000 -173.00985 -166.76705 6.24280 2.31140 -167.24082 662.84567
6300.0000 -174.47372 -168.37927 6.09445 2.29988 -167.43651 661.17837
6305.0000 -173.47116 -167.43201 6.03915 2.24514 -168.36627 623.88219
6310.0000 -173.73999 -168.16926 5.57073 2.28738 -167.64888 650.33658
6315.0000 -173.64800 -166.78070 6.86730 2.31763 -167.13500 659.73155
6320.0000 -172.67402 -166.76855 5.90547 2.35766 -166.45524 701.51722
6325.0000 -174.22742 -168.32646 5.90095 2.25879 -168.13447 618.22496
6330.0000 -174.36013 -168.66325 5.69688 2.23796 -168.48822 616.34367
6335.0000 -174.24977 -168.25912 5.99065 2.23680 -168.50798 615.59429
6340.0000 -173.06202 -167.65465 5.40737 2.28318 -167.72025 651.92925
6345.0000 -174.24590 -168.51140 5.73450 2.26971 -167.94900 630.77763
6350.0000 -174.98399 -169.61066 5.37332 2.18635 -169.36486 575.28003
6355.0000 -173.01890 -167.98869 5.03021 2.26868 -167.96645 654.04398
6360.0000 -172.90200 -166.61229 6.28972 2.34868 -166.60772 648.62034
6365.0000 -172.78192 -167.02168 5.76024 2.33242 -166.88394 656.58419
6370.0000 -174.13234 -168.62785 5.50450 2.31642 -167.15570 655.54466
6375.0000 -173.32609 -168.74031 4.58578 2.23860 -168.47740 606.99447
6380.0000 -173.84285 -167.70979 6.13306 2.25180 -168.25321 624.91126
6385.0000 -174.03186 -168.26651 5.76535 2.28656 -167.66285 664.12303
6390.0000 -173.88443 -169.25845 4.62598 2.21309 -168.91073 600.03644
6395.0000 -173.96962 -168.85343 5.11618 2.20187 -169.10121 582.68139
6400.0000 -173.71412 -168.09295 5.62117 2.24127 -168.43203 623.50214
6405.0000 -173.64447 -168.68212 4.96235 2.24260 -168.40944 639.64776
6410.0000 -173.45430 -167.55618 5.89813 2.27909 -167.78970 648.77643
6415.0000 -173.81353 -168.43181 5.38172 2.26166 -168.08576 612.84894
6420.0000 -173.02230 -168.84075 4.18155 2.22880 -168.64381 605.41126
6425.0000 -174.43984 -169.09789 5.34195 2.23047 -168.61554 611.94958
6430.0000 -174.33581 -168.75186 5.58396 2.26360 -168.05281 643.02256
6435.0000 -174.38980 -169.89860 4.49120 2.23639 -168.51488 634.59870
6440.0000 -173.66480 -168.07574 5.58906 2.21935 -168.80438 602.52868
6445.0000 -172.35919 -166.96156 5.39763 2.28498 -167.68966 644.98271
6450.0000 -174.23332 -168.45863 5.77469 2.26913 -167.95880 623.40560
6455.0000 -173.52381 -167.77567 5.74814 2.24987 -168.28605 617.08691
6460.0000 -173.08714 -166.81172 6.27542 2.28493 -167.69053 663.97101
6465.0000 -173.85370 -167.36018 6.49352 2.30610 -167.33098 695.11030
6470.0000 -172.65848 -166.92159 5.73689 2.32508 -167.00852 693.75684
6475.0000 -173.55777 -167.12000 6.43777 2.31462 -167.18617 665.25704
6480.0000 -173.67075 -167.32231 6.34844 2.27173 -167.91475 650.38349
6485.0000 -174.37206 -168.02534 6.34673 2.31850 -167.12029 664.37045
6490.0000 -172.72060 -167.49426 5.22635 2.29021 -167.60079 635.42147
6495.0000 -174.53539 -168.62010 5.91529 2.28905 -167.62046 623.43194
6500.0000 -173.61468 -167.42228 6.19240 2.26603 -168.01151 658.11412
FREEZING PROCESS: loop number 27 T-loop= 600.00000000000000
main_MD> interactions number 27 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.93169 -0.33785 0.27274
force_rgl> df(natom) -0.58344 -0.74316 1.69970
6505.0000 -173.76142 -168.25332 5.50810 2.27440 -167.86939 633.39208
6510.0000 -172.77980 -167.84274 4.93706 2.24495 -168.36952 599.38966
6515.0000 -174.25162 -168.78959 5.46203 2.22589 -168.69327 571.24534
6520.0000 -174.59589 -169.79800 4.79789 2.15028 -169.97759 542.91002
6525.0000 -174.57748 -168.99378 5.58370 2.17749 -169.51535 568.06087
6530.0000 -174.73817 -169.96185 4.77632 2.18673 -169.35841 581.80353
6535.0000 -175.78789 -170.48707 5.30082 2.13320 -170.26757 562.01436
6540.0000 -175.03328 -169.66048 5.37280 2.14012 -170.15008 585.96154
6545.0000 -175.50843 -170.29823 5.21019 2.14994 -169.98328 578.36808
6550.0000 -175.39076 -169.92779 5.46297 2.12758 -170.36309 547.40160
6555.0000 -174.64886 -169.14009 5.50877 2.16793 -169.67779 593.10814
6560.0000 -174.47349 -168.22822 6.24527 2.19800 -169.16696 582.97609
6565.0000 -174.37406 -168.71343 5.66063 2.23798 -168.48793 598.60042
6570.0000 -173.89152 -167.39490 6.49662 2.24172 -168.42445 619.13993
6575.0000 -174.41641 -169.37863 5.03778 2.19949 -169.14173 597.20487
6580.0000 -175.35776 -169.88997 5.46779 2.15029 -169.97731 539.56740
6585.0000 -175.60410 -170.37471 5.22940 2.17733 -169.51810 600.53365
6590.0000 -174.85375 -169.79043 5.06333 2.18022 -169.46891 585.36809
6595.0000 -174.18053 -169.66103 4.51950 2.15167 -169.95392 553.26424
6600.0000 -175.06478 -169.31104 5.75374 2.17130 -169.62044 572.93910
6605.0000 -174.81688 -168.55562 6.26126 2.22202 -168.75903 602.04739
6610.0000 -174.73562 -169.41036 5.32526 2.20851 -168.98850 575.84765
6615.0000 -174.49878 -168.52993 5.96884 2.22340 -168.73556 583.54235
6620.0000 -174.46090 -169.26332 5.19758 2.18939 -169.31322 585.14949
6625.0000 -174.95915 -168.71383 6.24532 2.20815 -168.99460 598.58801
6630.0000 -174.00241 -168.87504 5.12738 2.22643 -168.68409 616.25873
6635.0000 -174.89748 -169.30620 5.59129 2.19136 -169.27979 581.99396
6640.0000 -174.58894 -168.58616 6.00278 2.23330 -168.56736 620.27219
6645.0000 -174.92830 -168.61475 6.31356 2.22251 -168.75064 614.88892
6650.0000 -174.90171 -169.20063 5.70108 2.18859 -169.32685 575.13966
6655.0000 -174.26010 -168.99745 5.26266 2.19797 -169.16742 602.54251
6660.0000 -173.13976 -168.14410 4.99566 2.25371 -168.22068 625.02755
6665.0000 -174.13273 -168.86883 5.26390 2.24291 -168.40413 621.02384
6670.0000 -172.65351 -167.84747 4.80604 2.23768 -168.49294 586.72745
6675.0000 -174.00717 -168.49133 5.51583 2.26590 -168.01363 623.06247
6680.0000 -174.23375 -169.30524 4.92851 2.25109 -168.26518 618.02578
6685.0000 -173.88726 -168.54210 5.34515 2.22105 -168.77555 605.07630
6690.0000 -175.61882 -170.67352 4.94531 2.18409 -169.40317 572.02893
6695.0000 -174.34176 -169.52473 4.81704 2.15273 -169.93583 554.35448
6700.0000 -174.83774 -170.02007 4.81767 2.16491 -169.72894 548.68230
6705.0000 -174.31094 -169.17645 5.13449 2.17853 -169.49763 567.74778
6710.0000 -174.39146 -168.80994 5.58152 2.19491 -169.21940 580.52467
6715.0000 -174.51262 -168.48993 6.02269 2.22325 -168.73811 611.73875
6720.0000 -174.94930 -168.84419 6.10511 2.18662 -169.36021 601.42082
6725.0000 -175.45876 -169.77163 5.68713 2.19532 -169.21255 633.09148
6730.0000 -175.60430 -170.76198 4.84231 2.13338 -170.26455 577.44964
6735.0000 -176.16451 -170.68168 5.48283 2.06984 -171.34382 528.84594
6740.0000 -175.05743 -170.02591 5.03152 2.17554 -169.54844 608.59657
6745.0000 -176.27207 -171.54043 4.73164 2.08900 -171.01840 538.28261
6750.0000 -174.67452 -169.37821 5.29632 2.10917 -170.67581 537.30547
FREEZING PROCESS: loop number 28 T-loop= 575.00000000000000
main_MD> interactions number 28 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36757 -0.01014 1.61677
force_rgl> df(natom) -4.32400 1.07906 0.90333
6755.0000 -174.07131 -168.92363 5.14769 2.17887 -169.49199 561.86182
6760.0000 -174.54893 -169.30196 5.24697 2.23417 -168.55268 594.95064
6765.0000 -175.59492 -170.60326 4.99167 2.13719 -170.19989 563.95586
6770.0000 -174.78371 -169.89046 4.89326 2.14287 -170.10337 545.30176
6775.0000 -174.57305 -169.38714 5.18591 2.17426 -169.57029 568.75512
6780.0000 -175.86291 -171.48139 4.38152 2.12077 -170.47877 545.30224
6785.0000 -176.06462 -171.48690 4.57772 2.05874 -171.53229 525.15946
6790.0000 -176.03202 -170.83022 5.20181 2.06898 -171.35845 530.75161
6795.0000 -175.37377 -170.79534 4.57843 2.10326 -170.77614 562.81625
6800.0000 -175.70722 -170.86561 4.84160 2.11856 -170.51626 557.54456
6805.0000 -175.77079 -171.48193 4.28886 2.04686 -171.73402 505.42978
6810.0000 -177.32239 -172.36717 4.95521 2.05778 -171.54863 523.38803
6815.0000 -175.81841 -170.38826 5.43015 2.04222 -171.81283 501.93170
6820.0000 -174.64515 -170.12370 4.52145 2.12305 -170.44005 545.70474
6825.0000 -175.39256 -170.61507 4.77749 2.12449 -170.41554 561.98339
6830.0000 -175.24922 -168.92532 6.32390 2.16498 -169.72778 584.95223
6835.0000 -174.20647 -169.32407 4.88240 2.17755 -169.51435 583.39249
6840.0000 -174.21872 -169.20887 5.00985 2.17379 -169.57813 552.02344
6845.0000 -174.56338 -169.34748 5.21590 2.18514 -169.38545 558.53926
6850.0000 -173.65784 -168.52490 5.13294 2.21850 -168.81884 574.61838
6855.0000 -174.46524 -169.21698 5.24827 2.24156 -168.42706 593.45635
6860.0000 -175.87050 -171.02697 4.84353 2.14335 -170.09523 544.62972
6865.0000 -174.84896 -170.43891 4.41005 2.12539 -170.40035 540.53247
6870.0000 -175.59140 -170.60263 4.98877 2.12614 -170.38747 542.11172
6875.0000 -174.80423 -168.45377 6.35046 2.15482 -169.90046 581.36976
6880.0000 -174.81370 -168.70286 6.11084 2.22539 -168.70180 600.79174
6885.0000 -174.22985 -169.30026 4.92958 2.24315 -168.40006 608.42417
6890.0000 -175.25704 -170.41261 4.84444 2.14811 -170.01438 543.06741
6895.0000 -175.69135 -170.27547 5.41589 2.15744 -169.85590 566.49202
6900.0000 -175.50989 -170.64871 4.86118 2.13316 -170.26835 564.90882
6905.0000 -175.30660 -170.26467 5.04193 2.12647 -170.38190 545.66482
6910.0000 -174.01679 -168.22076 5.79603 2.19718 -169.18100 588.87808
6915.0000 -175.17717 -169.24748 5.92969 2.24202 -168.41929 625.90991
6920.0000 -174.08799 -169.10362 4.98437 2.20702 -169.01382 607.67950
6925.0000 -173.95630 -168.64669 5.30962 2.20142 -169.10882 574.80070
6930.0000 -174.77108 -169.42707 5.34401 2.19013 -169.30073 585.59712
6935.0000 -174.48576 -169.32969 5.15607 2.18999 -169.30304 553.93638
6940.0000 -175.07944 -169.45595 5.62349 2.16463 -169.73374 564.36172
6945.0000 -175.58435 -169.64220 5.94215 2.18017 -169.46985 589.92600
6950.0000 -175.40873 -169.29391 6.11482 2.15362 -169.92078 594.05795
6955.0000 -174.50716 -169.65402 4.85315 2.21304 -168.91148 601.00997
6960.0000 -175.05200 -169.96440 5.08760 2.14618 -170.04708 544.95331
6965.0000 -175.97945 -170.63760 5.34185 2.11938 -170.50239 535.08081
6970.0000 -175.18787 -170.22314 4.96473 2.11189 -170.62961 515.05727
6975.0000 -175.20711 -170.25080 4.95630 2.16777 -169.68052 546.16314
6980.0000 -174.48996 -168.87985 5.61011 2.16143 -169.78813 562.35556
6985.0000 -174.08882 -168.65542 5.43340 2.22615 -168.68890 606.52801
6990.0000 -173.72172 -168.14725 5.57448 2.24575 -168.35593 613.35524
6995.0000 -174.71871 -169.45674 5.26197 2.20490 -169.04973 577.93694
7000.0000 -174.61789 -169.41754 5.20036 2.17146 -169.61772 558.94961
FREEZING PROCESS: loop number 29 T-loop= 550.00000000000000
main_MD> interactions number 29 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.01535 -1.39803 -0.29898
force_rgl> df(natom) 2.20628 -3.01894 0.35005
7005.0000 -175.25550 -170.12905 5.12645 2.16913 -169.65731 572.60303
7010.0000 -174.40523 -169.94285 4.46238 2.14304 -170.10056 550.81597
7015.0000 -174.37096 -169.48309 4.88788 2.18991 -169.30442 577.48953
7020.0000 -175.02422 -169.69078 5.33344 2.17361 -169.58126 585.54633
7025.0000 -175.51579 -170.65838 4.85741 2.12240 -170.45100 557.85994
7030.0000 -175.35910 -170.35500 5.00411 2.13483 -170.23988 561.06265
7035.0000 -175.59157 -169.31738 6.27419 2.13373 -170.25855 563.13952
7040.0000 -174.41843 -169.87622 4.54221 2.19823 -169.16316 600.66399
7045.0000 -175.62256 -171.03200 4.59056 2.13038 -170.31555 532.54713
7050.0000 -175.91841 -171.42022 4.49819 2.10731 -170.70729 535.88627
7055.0000 -175.67553 -170.83937 4.83616 2.07505 -171.25525 526.88224
7060.0000 -175.65819 -170.15596 5.50223 2.13250 -170.27956 565.19905
7065.0000 -175.51839 -171.06390 4.45450 2.10421 -170.76002 553.88517
7070.0000 -175.33703 -170.81774 4.51930 2.07663 -171.22846 533.40071
7075.0000 -175.49899 -169.55714 5.94184 2.12014 -170.48938 576.91615
7080.0000 -175.05332 -170.02818 5.02514 2.14761 -170.02279 569.23696
7085.0000 -175.58834 -169.22899 6.35935 2.15550 -169.88893 581.28161
7090.0000 -175.23375 -169.66902 5.56473 2.18668 -169.35933 612.87261
7095.0000 -174.86265 -170.24323 4.61941 2.18128 -169.45096 598.34175
7100.0000 -176.67689 -171.28528 5.39162 2.13926 -170.16474 558.06282
7105.0000 -175.78350 -171.29905 4.48445 2.07749 -171.21389 514.05633
7110.0000 -175.35420 -170.12567 5.22853 2.12591 -170.39135 556.25877
7115.0000 -175.00418 -169.74489 5.25930 2.16110 -169.79372 583.48601
7120.0000 -175.17586 -169.54335 5.63251 2.17370 -169.57969 570.62621
7125.0000 -175.82993 -170.86191 4.96802 2.13658 -170.21015 551.24951
7130.0000 -175.35666 -170.53233 4.82433 2.12554 -170.39774 538.36233
7135.0000 -176.05460 -170.82755 5.22705 2.11694 -170.54372 538.01278
7140.0000 -176.33832 -171.75025 4.58806 2.11080 -170.64800 550.56594
7145.0000 -176.80724 -172.63307 4.17417 2.02317 -172.13643 486.71042
7150.0000 -176.81875 -172.68905 4.12970 1.97949 -172.87832 470.07877
7155.0000 -176.83214 -172.04707 4.78507 2.04080 -171.83706 515.54543
7160.0000 -175.87024 -170.45155 5.41869 2.06295 -171.46076 535.44607
7165.0000 -176.43281 -171.30983 5.12298 2.11306 -170.60975 574.95841
7170.0000 -175.25249 -170.41948 4.83302 2.09001 -171.00125 565.07827
7175.0000 -176.19255 -171.52728 4.66527 2.08334 -171.11444 548.18310
7180.0000 -175.22631 -169.95427 5.27204 2.10080 -170.81791 551.64455
7185.0000 -176.38833 -171.45310 4.93523 2.11821 -170.52219 559.26954
7190.0000 -175.95669 -171.33856 4.61813 2.05028 -171.67607 517.24192
7195.0000 -176.21919 -171.50735 4.71183 2.07161 -171.31370 501.74119
7200.0000 -175.10947 -170.70423 4.40524 2.08677 -171.05621 521.96825
7205.0000 -174.58694 -169.15088 5.43606 2.18600 -169.37076 577.74690
7210.0000 -176.19762 -171.11190 5.08572 2.16115 -169.79295 566.28785
7215.0000 -176.67645 -170.83609 5.84036 2.11200 -170.62773 544.34557
7220.0000 -175.90098 -170.47290 5.42807 2.09547 -170.90845 558.92480
7225.0000 -174.31182 -170.02545 4.28637 2.13308 -170.26972 574.72330
7230.0000 -173.73407 -169.51763 4.21644 2.15425 -169.91008 535.56199
7235.0000 -174.74958 -169.51963 5.22994 2.16997 -169.64306 540.02295
7240.0000 -175.86699 -170.18399 5.68300 2.14192 -170.11951 545.83139
7245.0000 -175.61616 -170.68864 4.92751 2.14263 -170.10742 525.48192
7250.0000 -174.17034 -169.03478 5.13557 2.13545 -170.22938 545.52652
FREEZING PROCESS: loop number 30 T-loop= 525.00000000000000
main_MD> interactions number 30 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.63883 -0.42518 3.51813
force_rgl> df(natom) 1.92657 0.09619 1.54030
7255.0000 -175.28331 -170.82934 4.45397 2.17087 -169.62783 576.36731
7260.0000 -175.44654 -171.46947 3.97707 2.05966 -171.51671 482.92230
7265.0000 -175.94573 -171.79129 4.15444 2.07696 -171.22285 503.66366
7270.0000 -176.19365 -171.59555 4.59810 2.05920 -171.52448 486.04560
7275.0000 -175.11338 -170.07993 5.03346 2.09625 -170.89517 516.99838
7280.0000 -174.84388 -169.62748 5.21639 2.12994 -170.32303 546.10515
7285.0000 -174.98026 -170.27098 4.70928 2.15778 -169.85015 555.85180
7290.0000 -175.01758 -170.30996 4.70762 2.14670 -170.03837 543.02666
7295.0000 -174.41841 -169.91886 4.49954 2.13595 -170.22083 552.48747
7300.0000 -175.37837 -170.40120 4.97717 2.14113 -170.13298 558.56566
7305.0000 -174.38224 -170.09321 4.28903 2.12768 -170.36134 535.34111
7310.0000 -175.98442 -171.12927 4.85515 2.11134 -170.63891 528.45029
7315.0000 -176.45295 -172.09964 4.35331 2.03638 -171.91209 487.32917
7320.0000 -175.71361 -171.24626 4.46735 2.06152 -171.48510 528.33880
7325.0000 -176.47628 -171.56407 4.91221 2.04594 -171.74975 513.15609
7330.0000 -176.41986 -171.99019 4.42967 2.04840 -171.70796 528.11758
7335.0000 -176.91054 -172.00219 4.90836 2.02372 -172.12710 507.21410
7340.0000 -176.73048 -172.14246 4.58802 2.00816 -172.39147 470.62598
7345.0000 -177.04055 -171.50673 5.53382 2.04961 -171.68747 528.90052
7350.0000 -176.62178 -172.51689 4.10488 2.02594 -172.08945 499.56127
7355.0000 -175.78650 -171.26263 4.52388 2.04288 -171.80164 503.45202
7360.0000 -176.64247 -171.53976 5.10271 2.05446 -171.60508 502.91961
7365.0000 -176.15326 -172.02398 4.12928 2.04206 -171.81561 492.03217
7370.0000 -175.83626 -171.25135 4.58491 2.06866 -171.36390 490.95835
7375.0000 -174.84478 -170.81755 4.02722 2.09105 -170.98352 528.09677
7380.0000 -175.45344 -171.98410 3.46933 2.09554 -170.90724 532.30334
7385.0000 -175.53259 -170.56799 4.96460 2.08199 -171.13735 527.50436
7390.0000 -175.29070 -170.21422 5.07648 2.11484 -170.57941 548.70241
7395.0000 -174.90171 -169.56662 5.33509 2.12796 -170.35659 536.78044
7400.0000 -175.71054 -170.20199 5.50855 2.16220 -169.77510 573.06444
7405.0000 -176.92451 -171.40225 5.52226 2.12518 -170.40380 570.94319
7410.0000 -175.98048 -171.50798 4.47250 2.06710 -171.39024 531.18392
7415.0000 -175.92211 -171.31618 4.60593 2.08454 -171.09411 544.35910
7420.0000 -175.72396 -171.38060 4.34335 2.06211 -171.47507 529.79312
7425.0000 -175.82941 -171.05370 4.77572 2.09894 -170.84951 542.30767
7430.0000 -175.82893 -170.52463 5.30430 2.09396 -170.93402 498.37318
7435.0000 -176.14178 -171.25594 4.88584 2.10624 -170.72559 507.56977
7440.0000 -175.71880 -171.47128 4.24753 2.05670 -171.56704 480.44998
7445.0000 -176.05274 -172.00141 4.05133 2.04764 -171.72084 486.01770
7450.0000 -175.91273 -171.81934 4.09339 2.01413 -172.29000 452.93395
7455.0000 -176.07207 -171.76784 4.30423 2.05916 -171.52513 489.29706
7460.0000 -175.65060 -170.87890 4.77170 2.07165 -171.31304 496.60720
7465.0000 -174.87354 -170.90991 3.96363 2.11934 -170.50310 555.21103
7470.0000 -176.44413 -171.23514 5.20898 2.06932 -171.35268 531.85115
7475.0000 -176.75032 -171.65265 5.09767 2.03943 -171.86032 518.66130
7480.0000 -175.05029 -170.45290 4.59739 2.08059 -171.16123 533.05981
7485.0000 -176.05296 -170.77756 5.27541 2.11569 -170.56510 556.78505
7490.0000 -176.20560 -170.99921 5.20639 2.09914 -170.84612 553.18015
7495.0000 -176.50012 -171.67024 4.82987 2.06735 -171.38610 525.44227
7500.0000 -177.14577 -172.01496 5.13081 2.04449 -171.77441 518.77465
FREEZING PROCESS: loop number 31 T-loop= 500.00000000000000
main_MD> interactions number 31 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.15629 -1.21954 -2.37637
force_rgl> df(natom) 0.46262 -0.69931 0.17258
7505.0000 -176.07049 -170.77625 5.29424 2.06011 -171.50909 518.42851
7510.0000 -176.09097 -171.37399 4.71698 2.08547 -171.07829 534.85648
7515.0000 -175.69345 -170.83030 4.86315 2.07736 -171.21605 507.39842
7520.0000 -175.45081 -170.72505 4.72576 2.05624 -171.57473 486.63311
7525.0000 -176.52980 -171.58294 4.94687 2.06781 -171.37819 506.00933
7530.0000 -175.93283 -170.61133 5.32150 2.08083 -171.15705 512.27411
7535.0000 -175.44670 -170.58973 4.85697 2.12676 -170.37700 551.51956
7540.0000 -176.44198 -171.99202 4.44996 2.06057 -171.50124 500.63500
7545.0000 -176.90156 -171.93696 4.96460 2.02743 -172.06405 477.55572
7550.0000 -175.26437 -171.00046 4.26391 2.12534 -170.40117 553.79776
7555.0000 -176.71375 -171.48102 5.23273 2.07297 -171.29066 506.68755
7560.0000 -176.35899 -171.72370 4.63529 2.06087 -171.49612 499.12878
7565.0000 -176.08125 -171.22894 4.85230 2.08917 -171.01549 514.39485
7570.0000 -176.67824 -172.35571 4.32253 2.06056 -171.50136 502.76574
7575.0000 -176.80519 -172.42303 4.38216 2.00294 -172.48001 463.97953
7580.0000 -176.12156 -171.55090 4.57066 2.02641 -172.08141 495.23103
7585.0000 -176.95290 -171.71554 5.23736 2.06790 -171.37673 527.06548
7590.0000 -176.86889 -172.58744 4.28145 2.03683 -171.90446 512.63737
7595.0000 -176.67955 -172.78320 3.89635 2.00537 -172.43886 497.83273
7600.0000 -176.80977 -172.90076 3.90901 2.00637 -172.42188 504.34534
7605.0000 -177.30268 -172.86853 4.43416 1.98851 -172.72512 489.22093
7610.0000 -177.73835 -173.40900 4.32935 1.98768 -172.73924 484.32501
7615.0000 -176.62195 -172.79729 3.82466 1.97197 -173.00605 453.33386
7620.0000 -177.19865 -172.70798 4.49067 2.01112 -172.34106 475.50140
7625.0000 -177.26306 -173.28736 3.97569 1.97511 -172.95271 478.68810
7630.0000 -176.58379 -171.79507 4.78871 1.98595 -172.76863 486.75966
7635.0000 -176.12839 -171.37335 4.75504 2.03215 -171.98392 493.78330
7640.0000 -177.00298 -172.65450 4.34849 2.04341 -171.79269 500.87910
7645.0000 -176.04360 -171.64950 4.39410 2.01446 -172.28440 473.92926
7650.0000 -175.93910 -171.78120 4.15790 2.04866 -171.70352 492.44317
7655.0000 -175.79789 -171.33778 4.46011 2.04943 -171.69037 495.16555
7660.0000 -176.78157 -173.61623 3.16534 2.00682 -172.41418 464.98677
7665.0000 -176.96432 -172.32362 4.64070 1.97017 -173.03671 461.47066
7670.0000 -177.36137 -173.18678 4.17459 1.98682 -172.75381 474.50762
7675.0000 -176.20518 -172.24144 3.96375 1.98322 -172.81499 471.97569
7680.0000 -176.79707 -172.57921 4.21786 2.01533 -172.26960 490.97032
7685.0000 -176.62044 -172.51603 4.10441 2.01829 -172.21940 504.86301
7690.0000 -176.94844 -172.35716 4.59129 1.99431 -172.62667 486.06892
7695.0000 -177.44518 -173.11305 4.33213 2.00332 -172.47364 477.65461
7700.0000 -177.56261 -173.61504 3.94758 1.95850 -173.23497 453.56822
7705.0000 -176.49646 -172.08184 4.41462 1.96748 -173.08244 462.44750
7710.0000 -176.50908 -171.19242 5.31666 2.06669 -171.39728 533.91741
7715.0000 -176.02380 -171.76215 4.26164 2.04417 -171.77972 506.32221
7720.0000 -176.65643 -172.21032 4.44611 2.02814 -172.05204 499.25975
7725.0000 -176.51588 -172.74262 3.77327 1.99694 -172.58198 478.01846
7730.0000 -176.43648 -171.25443 5.18205 2.02126 -172.16892 497.31674
7735.0000 -176.02739 -171.51330 4.51409 2.02269 -172.14461 492.36243
7740.0000 -176.38970 -172.39672 3.99298 2.05903 -171.52746 522.78552
7745.0000 -176.99696 -172.81529 4.18168 1.98854 -172.72468 484.21265
7750.0000 -177.16571 -172.98137 4.18434 1.99564 -172.60409 485.67491
FREEZING PROCESS: loop number 32 T-loop= 475.00000000000000
main_MD> interactions number 32 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11275 -1.31647 1.94371
force_rgl> df(natom) -0.56098 1.45407 -1.58853
7755.0000 -177.03055 -172.35758 4.67297 1.99240 -172.65915 482.82593
7760.0000 -177.24381 -173.13901 4.10479 1.99503 -172.61437 493.30612
7765.0000 -176.86606 -172.86395 4.00210 1.98003 -172.86918 469.92906
7770.0000 -177.47166 -172.75684 4.71482 1.99487 -172.61707 476.28550
7775.0000 -177.18781 -173.98510 3.20271 1.94674 -173.43472 413.74660
7780.0000 -177.15141 -172.68631 4.46510 1.95947 -173.21841 412.49045
7785.0000 -177.25028 -172.56927 4.68101 1.98036 -172.86353 458.74669
7790.0000 -176.87428 -173.23598 3.63830 1.99522 -172.61121 455.63048
7795.0000 -176.47182 -172.44258 4.02924 1.95131 -173.35693 427.71915
7800.0000 -176.55248 -172.38640 4.16607 1.99333 -172.64326 462.37457
7805.0000 -177.29156 -172.15711 5.13445 2.00779 -172.39769 483.62502
7810.0000 -177.50980 -173.07314 4.43666 2.00947 -172.36915 488.54407
7815.0000 -176.99154 -172.35941 4.63213 1.97964 -172.87578 471.05429
7820.0000 -177.82295 -173.43327 4.38968 1.96433 -173.13589 486.16890
7825.0000 -177.70818 -173.62789 4.08029 1.96154 -173.18321 474.82872
7830.0000 -177.29219 -173.38706 3.90512 1.96124 -173.18842 466.23997
7835.0000 -177.79713 -173.25824 4.53889 1.94060 -173.53900 441.52575
7840.0000 -177.34485 -173.13093 4.21392 1.95671 -173.26530 461.25396
7845.0000 -176.35309 -171.54041 4.81267 2.02149 -172.16509 499.98542
7850.0000 -175.22977 -171.29794 3.93183 2.06233 -171.47128 499.34427
7855.0000 -176.00765 -172.17002 3.83763 2.04652 -171.73996 473.95817
7860.0000 -176.46626 -172.31156 4.15470 2.02137 -172.16708 486.94532
7865.0000 -176.68033 -171.77307 4.90726 2.00551 -172.43647 474.75010
7870.0000 -177.21906 -172.76372 4.45534 2.01635 -172.25236 485.76037
7875.0000 -176.96527 -172.52694 4.43833 1.98187 -172.83796 476.80483
7880.0000 -176.82862 -171.75029 5.07833 2.00485 -172.44766 496.92033
7885.0000 -176.98343 -172.63777 4.34566 2.03602 -171.91818 509.06312
7890.0000 -176.79502 -172.26048 4.53454 2.02348 -172.13120 515.16700
7895.0000 -175.68477 -170.45771 5.22706 2.06628 -171.40427 524.43231
7900.0000 -175.70846 -171.59295 4.11552 2.08313 -171.11803 533.97277
7905.0000 -176.97009 -172.22445 4.74564 2.02254 -172.14718 471.21503
7910.0000 -175.27702 -171.40160 3.87542 2.06753 -171.38298 513.79777
7915.0000 -177.23623 -172.66232 4.57391 2.00430 -172.45704 474.26570
7920.0000 -177.14145 -172.43427 4.70718 1.99522 -172.61115 459.82273
7925.0000 -177.17779 -173.30241 3.87538 2.01508 -172.27382 476.88336
7930.0000 -176.77013 -172.33665 4.43349 1.99305 -172.64814 452.24195
7935.0000 -176.86518 -171.12744 5.73774 2.01860 -172.21405 495.24408
7940.0000 -177.76503 -173.85557 3.90946 1.98532 -172.77942 478.14699
7945.0000 -177.65307 -173.55963 4.09344 1.91715 -173.93727 422.52585
7950.0000 -177.46472 -173.54588 3.91884 1.95128 -173.35750 461.53780
7955.0000 -176.55594 -172.40966 4.14628 1.96824 -173.06948 479.09597
7960.0000 -177.34989 -173.00468 4.34521 1.99007 -172.69872 494.66408
7965.0000 -177.60284 -173.33332 4.26952 1.96645 -173.09993 469.06494
7970.0000 -176.92393 -172.56019 4.36374 1.98008 -172.86839 482.77597
7975.0000 -178.07640 -173.41840 4.65800 1.98387 -172.80391 484.26910
7980.0000 -178.65417 -174.43129 4.22288 1.92329 -173.83296 443.20950
7985.0000 -177.31102 -173.11860 4.19242 1.93692 -173.60144 450.37164
7990.0000 -177.30518 -172.97228 4.33290 1.95225 -173.34112 465.10641
7995.0000 -177.59349 -173.97765 3.61585 1.94554 -173.45500 461.79386
8000.0000 -178.01825 -173.35477 4.66348 1.92977 -173.72289 446.67000
FREEZING PROCESS: loop number 33 T-loop= 450.00000000000000
main_MD> interactions number 33 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30274 -0.23901 -0.66453
force_rgl> df(natom) -0.88196 0.98996 0.26218
8005.0000 -177.62483 -173.73468 3.89015 1.93268 -173.67341 449.50047
8010.0000 -178.53055 -174.53233 3.99823 1.90590 -174.12826 428.98935
8015.0000 -177.40637 -173.48706 3.91932 1.91655 -173.94737 433.75990
8020.0000 -178.16142 -174.93617 3.22525 1.90743 -174.10234 428.22553
8025.0000 -177.72618 -174.09716 3.62902 1.89204 -174.36370 414.45710
8030.0000 -177.33436 -173.92586 3.40849 1.92689 -173.77177 439.72949
8035.0000 -178.67555 -174.44265 4.23290 1.90044 -174.22102 425.40149
8040.0000 -177.80967 -173.59416 4.21551 1.90535 -174.13772 427.12863
8045.0000 -178.24520 -173.62848 4.61672 1.93108 -173.70060 444.24455
8050.0000 -178.42933 -174.42884 4.00049 1.90460 -174.15037 420.89365
8055.0000 -178.19288 -174.96180 3.23107 1.86756 -174.77957 396.87424
8060.0000 -178.26458 -174.61613 3.64845 1.88851 -174.42371 410.04483
8065.0000 -176.98164 -172.70822 4.27342 1.93932 -173.56060 452.23867
8070.0000 -177.78101 -172.98814 4.79288 1.97714 -172.91824 484.41036
8075.0000 -177.97001 -173.56621 4.40380 1.98481 -172.78800 486.42568
8080.0000 -178.27243 -173.93112 4.34130 1.90775 -174.09684 427.56284
8085.0000 -177.93069 -174.27833 3.65236 1.90024 -174.22447 421.56474
8090.0000 -177.66269 -173.54685 4.11584 1.90539 -174.13702 422.54319
8095.0000 -177.64406 -173.83485 3.80921 1.92735 -173.76393 437.93904
8100.0000 -177.44214 -173.41605 4.02608 1.92583 -173.78971 435.79545
8105.0000 -177.64612 -173.25112 4.39500 1.95562 -173.28381 463.16772
8110.0000 -177.26633 -173.34858 3.91775 1.95117 -173.35938 456.91076
8115.0000 -176.86477 -173.39330 3.47146 1.94194 -173.51621 447.68099
8120.0000 -177.88822 -174.13241 3.75580 1.90115 -174.20892 421.02514
8125.0000 -177.57175 -174.34356 3.22819 1.91001 -174.05857 421.45036
8130.0000 -177.75318 -174.14700 3.60618 1.88701 -174.44918 411.52973
8135.0000 -177.24737 -173.67698 3.57039 1.94340 -173.49137 454.32416
8140.0000 -177.09624 -173.16484 3.93140 1.94791 -173.41476 447.00315
8145.0000 -178.23546 -174.07300 4.16246 1.93972 -173.55388 433.19294
8150.0000 -178.16600 -174.27796 3.88803 1.94081 -173.53531 439.38493
8155.0000 -177.83677 -173.50744 4.32933 1.92917 -173.73314 442.76070
8160.0000 -177.08345 -173.74848 3.33497 1.94884 -173.39901 448.70176
8165.0000 -177.57692 -173.15951 4.41741 1.95971 -173.21431 448.72645
8170.0000 -177.27929 -173.84793 3.43136 1.93980 -173.55254 420.72337
8175.0000 -177.65086 -173.54600 4.10485 1.93450 -173.64251 423.92279
8180.0000 -177.10935 -173.45370 3.65565 1.93490 -173.63579 417.55122
8185.0000 -177.15956 -173.24861 3.91096 1.94937 -173.38999 425.72831
8190.0000 -177.15393 -172.91152 4.24241 1.95145 -173.35459 427.06171
8195.0000 -177.12745 -173.19493 3.93252 1.97287 -172.99078 443.53561
8200.0000 -177.60640 -172.97009 4.63631 1.99694 -172.58198 466.64172
8205.0000 -177.83602 -173.00854 4.82749 1.96341 -173.15145 453.23693
8210.0000 -177.52681 -172.99852 4.52829 1.95672 -173.26512 454.52753
8215.0000 -177.32311 -173.17880 4.14430 1.96825 -173.06934 461.65087
8220.0000 -177.11235 -173.35883 3.75352 1.94971 -173.38427 446.96379
8225.0000 -176.79169 -172.79140 4.00029 1.96866 -173.06234 455.28762
8230.0000 -177.39201 -172.97646 4.41554 1.98732 -172.74539 486.47923
8235.0000 -176.71151 -173.15534 3.55618 1.98103 -172.85221 471.41399
8240.0000 -177.68079 -173.89955 3.78124 1.95855 -173.23396 451.21325
8245.0000 -176.50824 -172.71643 3.79181 1.94987 -173.38148 443.72758
8250.0000 -176.26659 -171.90450 4.36209 1.98314 -172.81636 468.57699
FREEZING PROCESS: loop number 34 T-loop= 425.00000000000000
main_MD> interactions number 34 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77365 -0.31162 -1.92254
force_rgl> df(natom) -0.61748 1.69121 -1.14648
8255.0000 -177.57714 -173.26208 4.31506 1.99864 -172.55310 476.55790
8260.0000 -177.16249 -173.36398 3.79851 1.94111 -173.53032 440.03935
8265.0000 -177.67940 -173.86463 3.81477 1.93496 -173.63467 447.47184
8270.0000 -177.86142 -174.28891 3.57251 1.88774 -174.43671 402.24069
8275.0000 -178.15647 -174.23393 3.92254 1.91758 -173.92992 424.23714
8280.0000 -177.83806 -174.26669 3.57137 1.90106 -174.21048 415.59791
8285.0000 -177.61015 -172.78465 4.82550 1.92626 -173.78249 434.82758
8290.0000 -177.41534 -173.51372 3.90162 1.95899 -173.22650 456.03977
8295.0000 -178.18810 -174.60574 3.58236 1.91978 -173.89256 427.96374
8300.0000 -178.18913 -174.04995 4.13919 1.90276 -174.18163 411.87812
8305.0000 -177.95221 -174.33067 3.62155 1.91254 -174.01544 424.46155
8310.0000 -177.98534 -174.02786 3.95749 1.90987 -174.06087 421.67841
8315.0000 -177.82040 -173.95109 3.86931 1.94499 -173.46440 456.09403
8320.0000 -178.16636 -174.37695 3.78942 1.89726 -174.27505 417.37058
8325.0000 -177.23846 -172.58881 4.64965 1.93942 -173.55902 435.01606
8330.0000 -177.71971 -173.86991 3.84979 1.95689 -173.26223 443.88087
8335.0000 -177.03265 -173.63691 3.39574 1.93932 -173.56070 431.39628
8340.0000 -176.93107 -173.51023 3.42084 1.93366 -173.65683 429.70611
8345.0000 -177.10957 -173.68118 3.42839 1.92694 -173.77094 411.17456
8350.0000 -177.18242 -173.69926 3.48317 1.95195 -173.34619 431.55942
8355.0000 -176.97622 -173.41044 3.56578 1.94328 -173.49343 412.73564
8360.0000 -176.91241 -172.81194 4.10047 1.98599 -172.76790 447.19092
8365.0000 -177.51902 -173.73578 3.78325 1.96653 -173.09848 447.55835
8370.0000 -178.21641 -174.31904 3.89737 1.90596 -174.12722 399.31431
8375.0000 -178.60831 -175.12236 3.48594 1.88005 -174.56729 385.75289
8380.0000 -178.29780 -174.54658 3.75122 1.88091 -174.55269 408.24974
8385.0000 -177.90943 -174.02927 3.88017 1.88340 -174.51039 420.40577
8390.0000 -178.98000 -175.38839 3.59161 1.88433 -174.49469 423.48538
8395.0000 -178.85015 -175.16219 3.68796 1.83243 -175.37618 378.01585
8400.0000 -177.90648 -174.40942 3.49706 1.86017 -174.90510 402.31039
8405.0000 -178.44443 -175.04541 3.39902 1.87857 -174.59252 411.82976
8410.0000 -178.28424 -175.10994 3.17431 1.84345 -175.18909 385.13364
8415.0000 -178.28578 -174.60976 3.67602 1.86379 -174.84360 409.67753
8420.0000 -178.85749 -175.18734 3.67015 1.88254 -174.52502 417.57938
8425.0000 -179.30117 -175.86159 3.43958 1.83270 -175.37153 377.71812
8430.0000 -177.68344 -174.23943 3.44401 1.85496 -174.99360 397.01894
8435.0000 -178.06092 -174.09449 3.96644 1.92135 -173.86592 446.04152
8440.0000 -178.41427 -174.09348 4.32079 1.91044 -174.05119 420.28963
8445.0000 -177.62269 -173.77841 3.84428 1.93467 -173.63970 434.13751
8450.0000 -177.69176 -173.69946 3.99230 1.91628 -173.95195 435.11070
8455.0000 -177.96774 -173.88547 4.08227 1.91478 -173.97746 448.89025
8460.0000 -178.62043 -174.33580 4.28463 1.91316 -174.00503 449.77897
8465.0000 -178.96961 -175.13838 3.83123 1.86016 -174.90526 409.64196
8470.0000 -178.61897 -174.60801 4.01097 1.87078 -174.72485 406.56112
8475.0000 -178.37214 -174.70172 3.67042 1.88088 -174.55332 415.09549
8480.0000 -178.07081 -173.91319 4.15762 1.87561 -174.64275 421.31458
8485.0000 -178.36641 -174.38259 3.98382 1.89230 -174.35932 432.72331
8490.0000 -178.40206 -174.27854 4.12351 1.92574 -173.79128 454.90002
8495.0000 -178.71081 -175.10414 3.60667 1.86867 -174.76073 416.76029
8500.0000 -178.54090 -174.79883 3.74207 1.85171 -175.04874 401.75196
FREEZING PROCESS: loop number 35 T-loop= 400.00000000000000
main_MD> interactions number 35 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01793 -0.64543 -0.41595
force_rgl> df(natom) -0.22429 1.69086 1.53724
8505.0000 -178.21075 -174.95356 3.25719 1.88346 -174.50938 426.44649
8510.0000 -178.54502 -174.81922 3.72579 1.84173 -175.21825 388.03496
8515.0000 -178.72314 -175.04833 3.67481 1.87454 -174.66102 414.13927
8520.0000 -177.87984 -174.27399 3.60585 1.87979 -174.57171 417.80922
8525.0000 -178.46351 -174.79604 3.66748 1.88494 -174.48427 428.12889
8530.0000 -178.58169 -174.84885 3.73284 1.87212 -174.70207 420.89872
8535.0000 -179.07972 -175.12472 3.95501 1.84625 -175.14147 403.40563
8540.0000 -178.49178 -175.42649 3.06529 1.84318 -175.19364 389.15972
8545.0000 -178.60775 -174.91600 3.69175 1.83587 -175.31773 382.72377
8550.0000 -178.19953 -174.80708 3.39245 1.87829 -174.59732 413.85867
8555.0000 -178.89858 -175.31242 3.58616 1.84364 -175.18575 387.98834
8560.0000 -178.25916 -174.87783 3.38133 1.83670 -175.30371 388.51788
8565.0000 -178.74691 -175.49872 3.24819 1.84767 -175.11731 392.01994
8570.0000 -179.40172 -175.84837 3.55334 1.79537 -176.00561 348.67326
8575.0000 -179.18252 -175.61285 3.56967 1.81002 -175.75677 363.03121
8580.0000 -178.77947 -174.95696 3.82252 1.84582 -175.14872 389.23764
8585.0000 -178.39965 -174.53162 3.86803 1.87865 -174.59118 418.63482
8590.0000 -178.20143 -174.80389 3.39753 1.87467 -174.65872 412.47739
8595.0000 -178.56904 -175.44070 3.12834 1.86449 -174.83173 413.59469
8600.0000 -178.11671 -174.36660 3.75011 1.86287 -174.85921 403.08021
8605.0000 -178.61358 -174.99148 3.62210 1.87179 -174.70770 413.22451
8610.0000 -178.29510 -174.60737 3.68773 1.83489 -175.33446 381.54817
8615.0000 -178.13490 -174.03645 4.09845 1.88333 -174.51172 425.27500
8620.0000 -178.45473 -174.96285 3.49188 1.88618 -174.46321 413.65842
8625.0000 -178.07912 -174.35552 3.72360 1.88962 -174.40478 402.17996
8630.0000 -178.51535 -174.78219 3.73316 1.88237 -174.52788 402.34820
8635.0000 -179.44505 -175.75547 3.68958 1.84398 -175.17999 386.89289
8640.0000 -178.63131 -175.46158 3.16973 1.82784 -175.45416 371.38640
8645.0000 -178.37093 -175.02270 3.34823 1.84912 -175.09275 385.41268
8650.0000 -178.08207 -174.61498 3.46708 1.87509 -174.65158 415.40566
8655.0000 -178.99169 -174.77586 4.21584 1.87524 -174.64905 413.53323
8660.0000 -178.56964 -175.06869 3.50096 1.84282 -175.19966 384.23031
8665.0000 -178.83956 -175.52499 3.31457 1.84807 -175.11056 389.76823
8670.0000 -178.99797 -175.10685 3.89112 1.83206 -175.38251 377.93806
8675.0000 -178.24116 -174.68819 3.55297 1.85833 -174.93621 398.45993
8680.0000 -179.00401 -175.41358 3.59043 1.84310 -175.19493 387.30335
8685.0000 -178.88376 -175.56157 3.32218 1.82527 -175.49781 371.32001
8690.0000 -178.10714 -174.32798 3.77916 1.84582 -175.14882 386.34987
8695.0000 -178.20128 -174.38924 3.81204 1.86801 -174.77194 408.92429
8700.0000 -178.68560 -174.90950 3.77610 1.87917 -174.58235 414.25466
8705.0000 -177.54272 -174.01313 3.52958 1.89678 -174.28316 428.38031
8710.0000 -178.20596 -173.94957 4.25639 1.91631 -173.95143 443.65291
8715.0000 -177.88067 -174.12218 3.75849 1.92669 -173.77515 444.46571
8720.0000 -177.94367 -174.32960 3.61407 1.90250 -174.18597 428.63410
8725.0000 -178.29850 -174.41929 3.87921 1.88515 -174.48075 417.49033
8730.0000 -178.15271 -174.39341 3.75930 1.90574 -174.13102 431.56867
8735.0000 -179.04952 -174.86418 4.18534 1.87655 -174.62688 419.30151
8740.0000 -178.14306 -174.28728 3.85578 1.88006 -174.56711 422.59453
8745.0000 -178.43137 -174.65534 3.77604 1.86083 -174.89387 402.79500
8750.0000 -178.70146 -174.89999 3.80147 1.88900 -174.41531 427.32667
FREEZING PROCESS: loop number 36 T-loop= 375.00000000000000
main_MD> interactions number 36 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27122 -0.51779 1.38418
force_rgl> df(natom) 1.89350 -1.34498 3.13251
8755.0000 -178.70818 -175.17127 3.53691 1.84678 -175.13241 393.11070
8760.0000 -178.44221 -174.59327 3.84894 1.86229 -174.86909 400.08441
8765.0000 -178.74422 -175.81675 2.92747 1.84812 -175.10968 390.56836
8770.0000 -179.45161 -176.10429 3.34732 1.78959 -176.10380 339.39054
8775.0000 -179.09174 -175.92441 3.16734 1.79103 -176.07936 340.97465
8780.0000 -178.97919 -175.11873 3.86046 1.82008 -175.58588 367.47986
8785.0000 -178.64627 -175.08390 3.56237 1.85114 -175.05839 393.97035
8790.0000 -179.23298 -176.30504 2.92794 1.82659 -175.47533 371.91660
8795.0000 -179.12931 -175.55914 3.57017 1.80967 -175.76274 356.60336
8800.0000 -178.53428 -175.14409 3.39018 1.81982 -175.59038 364.43795
8805.0000 -178.51907 -175.51589 3.00317 1.84185 -175.21626 378.64237
8810.0000 -178.65022 -175.15691 3.49331 1.85823 -174.93801 398.95402
8815.0000 -178.86973 -175.32482 3.54490 1.82284 -175.53905 371.30161
8820.0000 -178.65663 -175.29579 3.36084 1.84478 -175.16646 388.70331
8825.0000 -178.88424 -175.68524 3.19899 1.83427 -175.34501 383.41211
8830.0000 -179.27357 -176.05967 3.21391 1.81237 -175.71683 362.22282
8835.0000 -178.71011 -175.83661 2.87350 1.81867 -175.60984 363.61475
8840.0000 -179.07849 -175.60341 3.47507 1.82065 -175.57627 369.79017
8845.0000 -178.75825 -175.29474 3.46351 1.82929 -175.42960 375.22176
8850.0000 -178.98860 -175.74192 3.24668 1.82243 -175.54602 369.88511
8855.0000 -178.68163 -175.60416 3.07747 1.83092 -175.40180 374.98888
8860.0000 -178.92273 -175.43018 3.49254 1.84157 -175.22088 385.13450
8865.0000 -178.82496 -175.54954 3.27542 1.82683 -175.47136 373.59610
8870.0000 -179.06938 -176.08638 2.98300 1.80524 -175.83809 356.72431
8875.0000 -179.16190 -175.95614 3.20576 1.82113 -175.56811 367.18920
8880.0000 -179.08287 -175.54443 3.53844 1.82364 -175.52552 370.66047
8885.0000 -179.25257 -175.97937 3.27320 1.82560 -175.49221 370.47432
8890.0000 -179.01241 -175.42822 3.58419 1.80957 -175.76442 359.90833
8895.0000 -179.07485 -175.39355 3.68130 1.84897 -175.09524 389.53595
8900.0000 -177.91011 -173.71152 4.19859 1.87717 -174.61629 414.07577
8905.0000 -178.74708 -175.78690 2.96018 1.86982 -174.74106 405.74272
8910.0000 -178.89261 -175.48231 3.41030 1.82409 -175.51787 370.54133
8915.0000 -178.43378 -175.04220 3.39158 1.83260 -175.37328 383.87259
8920.0000 -178.11408 -174.28560 3.82847 1.86461 -174.82954 405.84416
8925.0000 -178.86452 -175.63146 3.23306 1.85044 -175.07030 392.16255
8930.0000 -179.38249 -176.41734 2.96515 1.78898 -176.11417 340.50628
8935.0000 -178.90765 -175.57912 3.32854 1.80809 -175.78968 357.52093
8940.0000 -178.29863 -175.34538 2.95325 1.83517 -175.32958 384.01538
8945.0000 -178.67877 -174.90250 3.77627 1.86054 -174.89874 402.20482
8950.0000 -179.53084 -175.30499 4.22584 1.82562 -175.49191 368.66287
8955.0000 -178.56344 -175.12450 3.43895 1.82348 -175.52814 370.49797
8960.0000 -178.95708 -175.10714 3.84994 1.85196 -175.04452 395.23563
8965.0000 -179.03265 -175.70551 3.32715 1.86246 -174.86606 402.42402
8970.0000 -178.65863 -175.60046 3.05817 1.83227 -175.37890 379.39337
8975.0000 -179.11741 -175.49124 3.62618 1.84025 -175.24336 383.80153
8980.0000 -178.56992 -175.14098 3.42894 1.82814 -175.44907 377.42880
8985.0000 -178.51194 -175.64421 2.86773 1.80809 -175.78957 356.84321
8990.0000 -178.95958 -175.43466 3.52492 1.81354 -175.69711 353.55217
8995.0000 -178.65831 -175.13010 3.52822 1.84429 -175.17468 386.66742
9000.0000 -178.73681 -174.73314 4.00367 1.85904 -174.92427 399.51143
FREEZING PROCESS: loop number 37 T-loop= 350.00000000000000
main_MD> interactions number 37 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11122 1.82255 -0.57112
force_rgl> df(natom) 0.90396 -1.64441 0.83439
9005.0000 -179.38090 -175.82549 3.55541 1.83987 -175.24988 383.50907
9010.0000 -178.93128 -175.38602 3.54527 1.82459 -175.50939 369.26157
9015.0000 -178.29467 -175.09740 3.19727 1.82350 -175.52780 371.55510
9020.0000 -179.01751 -175.42075 3.59676 1.83872 -175.26934 379.21346
9025.0000 -178.82199 -175.70924 3.11275 1.80071 -175.91494 347.54154
9030.0000 -179.06828 -175.98193 3.08635 1.79811 -175.95911 345.49423
9035.0000 -178.94170 -175.53949 3.40220 1.79750 -175.96951 349.65444
9040.0000 -178.83781 -175.05842 3.77939 1.85658 -174.96595 397.72270
9045.0000 -179.37584 -175.67577 3.70008 1.83330 -175.36137 374.34278
9050.0000 -179.01072 -175.81099 3.19973 1.80773 -175.79565 355.62405
9055.0000 -178.40450 -174.85179 3.55272 1.83364 -175.35561 378.99868
9060.0000 -179.84546 -176.36426 3.48120 1.80520 -175.83868 354.90492
9065.0000 -179.54216 -176.99604 2.54612 1.76026 -176.60192 318.82200
9070.0000 -179.19056 -176.57382 2.61674 1.74734 -176.82144 302.08537
9075.0000 -179.49601 -176.41870 3.07731 1.77775 -176.30490 331.67796
9080.0000 -179.04189 -175.91822 3.12367 1.79260 -176.05272 343.07783
9085.0000 -178.83194 -175.63325 3.19869 1.81515 -175.66973 362.33336
9090.0000 -178.44208 -175.12262 3.31945 1.81715 -175.63571 365.75643
9095.0000 -179.05311 -176.19936 2.85375 1.81258 -175.71329 356.99238
9100.0000 -179.01904 -175.99573 3.02331 1.79080 -176.08328 342.14457
9105.0000 -179.34151 -175.86777 3.47374 1.81474 -175.67671 361.73302
9110.0000 -179.13445 -176.07463 3.05982 1.80783 -175.79396 354.48030
9115.0000 -179.59333 -176.59126 3.00207 1.76873 -176.45808 324.12559
9120.0000 -179.09122 -175.72295 3.36827 1.77905 -176.28288 330.53618
9125.0000 -178.78791 -176.41835 2.36956 1.78338 -176.20927 336.16444
9130.0000 -178.85017 -175.93373 2.91643 1.78253 -176.22377 336.80692
9135.0000 -179.01471 -176.81241 2.20229 1.77832 -176.29530 326.70115
9140.0000 -179.30770 -176.41827 2.88944 1.75899 -176.62358 313.35041
9145.0000 -179.48459 -176.34692 3.13766 1.77571 -176.33954 330.19007
9150.0000 -179.11805 -176.21053 2.90753 1.77443 -176.36140 326.46824
9155.0000 -179.44515 -176.63941 2.80574 1.77082 -176.42256 325.63915
9160.0000 -179.40156 -176.09568 3.30588 1.78484 -176.18455 335.84567
9165.0000 -179.27913 -175.97314 3.30599 1.78189 -176.23463 332.37870
9170.0000 -179.51740 -176.51121 3.00618 1.79775 -175.96531 346.33818
9175.0000 -179.59066 -176.45280 3.13786 1.76330 -176.55029 320.02102
9180.0000 -179.47180 -176.55906 2.91274 1.76052 -176.59766 315.41518
9185.0000 -179.57270 -176.18779 3.38490 1.79426 -176.02455 345.62088
9190.0000 -179.32751 -176.00333 3.32418 1.81222 -175.71949 361.09618
9195.0000 -178.91899 -175.69924 3.21974 1.80848 -175.78293 353.50424
9200.0000 -178.69953 -175.59702 3.10252 1.80173 -175.89759 349.27894
9205.0000 -179.06988 -175.32325 3.74663 1.80394 -175.86001 355.77932
9210.0000 -179.22861 -176.21695 3.01166 1.78919 -176.11063 339.31730
9215.0000 -178.81667 -175.50805 3.30862 1.80046 -175.91920 355.14397
9220.0000 -178.95623 -175.15736 3.79888 1.84627 -175.14119 386.90653
9225.0000 -178.72454 -175.51780 3.20675 1.81953 -175.59531 363.52959
9230.0000 -179.23444 -175.88203 3.35241 1.81664 -175.64437 365.82955
9235.0000 -179.30801 -176.32093 2.98708 1.79318 -176.04281 341.07721
9240.0000 -179.30414 -175.76320 3.54094 1.80652 -175.81626 354.30532
9245.0000 -178.84619 -175.89132 2.95487 1.82274 -175.54084 368.11077
9250.0000 -179.16614 -176.16704 2.99910 1.78903 -176.11334 340.08283
FREEZING PROCESS: loop number 38 T-loop= 325.00000000000000
main_MD> interactions number 38 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19618 -0.71007 -0.50074
force_rgl> df(natom) -0.91263 2.20442 -2.94966
9255.0000 -179.61388 -176.59774 3.01614 1.77054 -176.42746 323.86047
9260.0000 -179.37175 -176.68477 2.68698 1.75900 -176.62345 313.82831
9265.0000 -179.41601 -176.61154 2.80447 1.77053 -176.42760 325.52438
9270.0000 -180.02574 -177.51557 2.51017 1.72881 -177.13614 286.14232
9275.0000 -179.71713 -176.77082 2.94630 1.71651 -177.34507 277.42846
9280.0000 -179.98874 -176.96647 3.02227 1.75220 -176.73890 309.27039
9285.0000 -179.31702 -176.71858 2.59843 1.75880 -176.62678 313.34588
9290.0000 -179.42202 -176.79159 2.63044 1.74964 -176.78239 309.55971
9295.0000 -179.34855 -176.71785 2.63070 1.75263 -176.73160 309.70960
9300.0000 -179.98359 -177.33582 2.64777 1.72890 -177.13458 286.56022
9305.0000 -179.64768 -176.85863 2.78905 1.74314 -176.89282 297.32686
9310.0000 -179.49550 -176.87186 2.62364 1.77063 -176.42585 321.78291
9315.0000 -179.73162 -176.75853 2.97309 1.74420 -176.87477 298.44206
9320.0000 -179.22937 -176.50552 2.72385 1.78278 -176.21951 336.88511
9325.0000 -179.74916 -177.04612 2.70303 1.74164 -176.91822 299.08443
9330.0000 -178.81712 -175.79118 3.02594 1.78402 -176.19837 335.20723
9335.0000 -178.98280 -175.88500 3.09780 1.78062 -176.25621 335.90094
9340.0000 -178.72206 -175.66598 3.05608 1.80331 -175.87085 349.35317
9345.0000 -179.53057 -176.74443 2.78613 1.76276 -176.55955 317.39199
9350.0000 -179.32688 -176.68474 2.64214 1.75254 -176.73307 308.63410
9355.0000 -179.41978 -176.69843 2.72135 1.76605 -176.50364 320.92786
9360.0000 -179.75586 -176.99594 2.75991 1.77215 -176.40001 324.40859
9365.0000 -179.66398 -176.66603 2.99795 1.75351 -176.71659 308.34647
9370.0000 -179.09013 -176.42626 2.66388 1.76321 -176.55181 317.96964
9375.0000 -179.27393 -176.05635 3.21758 1.76922 -176.44981 328.38798
9380.0000 -179.23232 -176.20707 3.02526 1.80381 -175.86231 358.06856
9385.0000 -179.19442 -176.32304 2.87137 1.78576 -176.16888 335.04674
9390.0000 -179.24580 -175.98483 3.26096 1.80480 -175.84557 351.45896
9395.0000 -179.48096 -176.14952 3.33144 1.79250 -176.05433 341.05075
9400.0000 -179.56277 -176.78022 2.78256 1.76835 -176.46454 320.12209
9405.0000 -179.39334 -176.58911 2.80423 1.74916 -176.79048 307.19301
9410.0000 -179.57269 -176.66990 2.90279 1.75449 -176.70005 307.27975
9415.0000 -179.56551 -176.47632 3.08919 1.73513 -177.02883 292.14326
9420.0000 -179.69884 -176.19233 3.50651 1.80172 -175.89776 349.67801
9425.0000 -179.08404 -176.09169 2.99235 1.78876 -176.11796 339.69985
9430.0000 -179.29596 -176.00516 3.29080 1.78013 -176.26444 335.02753
9435.0000 -179.26414 -176.39838 2.86576 1.76203 -176.57198 316.65266
9440.0000 -179.36799 -176.55325 2.81474 1.76443 -176.53123 318.46316
9445.0000 -179.83999 -177.00052 2.83947 1.76088 -176.59139 316.48081
9450.0000 -179.34234 -176.84916 2.49318 1.72645 -177.17628 289.74117
9455.0000 -179.42938 -176.99073 2.43865 1.75751 -176.64878 314.13597
9460.0000 -179.44925 -176.46794 2.98131 1.75669 -176.66270 313.19869
9465.0000 -178.96635 -175.71133 3.25502 1.77484 -176.35442 330.31239
9470.0000 -179.51598 -176.18253 3.33345 1.79331 -176.04056 345.85751
9475.0000 -179.64222 -176.25031 3.39191 1.78060 -176.25656 331.75282
9480.0000 -179.76577 -176.90628 2.85949 1.77457 -176.35899 327.33131
9485.0000 -178.73841 -175.74118 2.99723 1.78277 -176.21964 331.91959
9490.0000 -178.51489 -175.18726 3.32763 1.82822 -175.44765 373.04470
9495.0000 -179.15819 -175.98908 3.16911 1.82083 -175.57328 368.92501
9500.0000 -179.64294 -176.67704 2.96590 1.77523 -176.34776 326.33972
FREEZING PROCESS: loop number 39 T-loop= 300.00000000000000
main_MD> interactions number 39 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57744 -1.27414 2.24331
force_rgl> df(natom) 0.93344 -0.70174 0.42986
9505.0000 -179.54093 -177.02995 2.51097 1.73595 -177.01496 291.71684
9510.0000 -180.07011 -177.43628 2.63383 1.72618 -177.18076 286.49263
9515.0000 -179.97740 -177.04952 2.92788 1.72268 -177.24035 281.76154
9520.0000 -179.44119 -177.01922 2.42197 1.74191 -176.91375 299.80437
9525.0000 -179.40808 -176.25101 3.15707 1.74964 -176.78233 305.26903
9530.0000 -179.50900 -175.78168 3.72732 1.78807 -176.12968 339.15861
9535.0000 -179.46715 -176.68655 2.78060 1.78863 -176.12018 340.04378
9540.0000 -179.63571 -177.04153 2.59418 1.74232 -176.90670 300.81954
9545.0000 -179.70677 -177.30116 2.40561 1.72327 -177.23029 284.90427
9550.0000 -179.93889 -177.65012 2.28878 1.71138 -177.43226 273.82752
9555.0000 -179.98642 -177.04066 2.94576 1.71478 -177.37446 272.95467
9560.0000 -179.91603 -176.88624 3.02978 1.73232 -177.07660 288.83573
9565.0000 -179.67638 -176.89904 2.77734 1.74003 -176.94556 297.75248
9570.0000 -179.75114 -177.00305 2.74809 1.74965 -176.78220 305.93489
9575.0000 -178.84193 -175.69532 3.14661 1.76568 -176.50990 319.82712
9580.0000 -179.65518 -176.10889 3.54628 1.79470 -176.01712 344.15201
9585.0000 -179.24933 -176.34382 2.90551 1.77764 -176.30678 329.87035
9590.0000 -179.73688 -177.12500 2.61189 1.74097 -176.92958 296.98021
9595.0000 -179.57130 -176.82208 2.74923 1.72695 -177.16773 285.63504
9600.0000 -179.19622 -176.77312 2.42310 1.75043 -176.76889 308.95454
9605.0000 -179.57217 -176.85772 2.71445 1.76057 -176.59672 317.88190
9610.0000 -179.52287 -176.73332 2.78956 1.75888 -176.62535 313.41046
9615.0000 -179.75482 -176.79710 2.95772 1.76239 -176.56584 316.75511
9620.0000 -179.22721 -176.77050 2.45670 1.75539 -176.68472 312.39706
9625.0000 -179.88584 -177.17635 2.70948 1.74188 -176.91414 296.35763
9630.0000 -179.60286 -176.97741 2.62545 1.74852 -176.80139 306.38880
9635.0000 -179.90038 -177.32568 2.57470 1.72340 -177.22809 281.88832
9640.0000 -179.95753 -176.87225 3.08528 1.72122 -177.26506 279.97833
9645.0000 -179.71580 -176.85108 2.86472 1.74157 -176.91940 298.37427
9650.0000 -179.71075 -177.24331 2.46744 1.72198 -177.25215 282.14333
9655.0000 -179.34905 -176.70017 2.64888 1.72383 -177.22072 282.85510
9660.0000 -179.98661 -177.11058 2.87602 1.75684 -176.66001 312.48490
9665.0000 -179.38312 -176.62637 2.75675 1.74969 -176.78152 307.63699
9670.0000 -180.02874 -176.97181 3.05693 1.74287 -176.89734 301.29909
9675.0000 -179.73346 -177.26486 2.46861 1.72942 -177.12581 288.36452
9680.0000 -179.68169 -177.17464 2.50705 1.73775 -176.98426 298.30964
9685.0000 -179.73991 -176.66507 3.07484 1.73814 -176.97767 292.62620
9690.0000 -179.60959 -177.16019 2.44940 1.74414 -176.87582 302.16363
9695.0000 -179.47510 -176.65511 2.81999 1.75463 -176.69770 307.55483
9700.0000 -179.89968 -177.12886 2.77082 1.75437 -176.70204 311.71368
9705.0000 -180.05961 -177.12507 2.93453 1.74375 -176.88235 300.38815
9710.0000 -179.80988 -177.12434 2.68554 1.72926 -177.12854 288.81624
9715.0000 -179.59778 -176.65350 2.94428 1.74034 -176.94028 296.49929
9720.0000 -179.55076 -177.04335 2.50740 1.73938 -176.95662 297.48295
9725.0000 -179.34250 -176.65347 2.68903 1.73569 -177.01934 290.24241
9730.0000 -179.72843 -177.02221 2.70621 1.75582 -176.67744 311.97262
9735.0000 -179.63247 -177.05638 2.57609 1.73408 -177.04658 289.75626
9740.0000 -179.27028 -176.73825 2.53203 1.75704 -176.65674 313.56783
9745.0000 -180.03235 -177.60817 2.42418 1.73651 -177.00531 292.27377
9750.0000 -179.85989 -177.34999 2.50990 1.71348 -177.39659 273.30626
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 50.9908080 [s].
main_MD> Deallocating global variables
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