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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_93/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_93.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 = 93 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 93 9300
main_MD> Size of nv and nvoiz: 93 9300
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 = 93
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.10088183092150008 -4.1751393421904100E-002 -0.10083202491327072 initial drift of cluster / NP1 for coalescence
init> 0.33274109782767930 0.34826310113795123 0.34223104833847529 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8171229624730557E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.40219 0.57848 0.94078
force_rgl> df(natom) -1.69194 -2.80368 4.15885
preparo> THERMALIZATION PROCESS AT 1264.7864691584689
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -207.58363832438226 13.662982763285253 -221.24662108766751 6.8572096708024381E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1239.0000000000000
main_MD> interactions number 1 at Temperature= 1239.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60089 1.93377 1.94177
force_rgl> df(natom) -2.83852 -2.11608 -1.91444
5.0000 -218.05403 -204.20538 13.84865 3.35271 -205.52944 1198.75485
10.0000 -220.98874 -204.13109 16.85765 3.47350 -203.04999 1315.08457
15.0000 -218.04582 -202.56990 15.47592 3.43021 -203.93860 1294.33310
20.0000 -222.09628 -207.16619 14.93009 3.38345 -204.89850 1243.78182
25.0000 -218.80006 -202.50931 16.29075 3.35496 -205.48329 1247.22301
30.0000 -219.91837 -202.49704 17.42132 3.48923 -202.72716 1281.50921
35.0000 -218.18868 -201.54602 16.64266 3.54921 -201.49587 1322.83682
40.0000 -220.02568 -204.57105 15.45463 3.47610 -202.99669 1309.15048
45.0000 -220.64953 -206.85053 13.79899 3.36689 -205.23833 1186.51280
50.0000 -221.85042 -207.16635 14.68407 3.28778 -206.86233 1173.08173
55.0000 -219.36667 -205.41184 13.95483 3.29183 -206.77911 1217.97802
60.0000 -219.58809 -204.93965 14.64845 3.37177 -205.13829 1238.44663
65.0000 -220.32884 -204.54917 15.77967 3.29452 -206.72397 1179.83715
70.0000 -216.73318 -202.26428 14.46890 3.45237 -203.48376 1297.66162
75.0000 -216.51056 -202.45738 14.05318 3.45280 -203.47502 1265.81783
80.0000 -216.24185 -200.49553 15.74632 3.54088 -201.66693 1309.75047
85.0000 -219.13860 -203.75377 15.38483 3.47473 -203.02483 1286.82191
90.0000 -217.13990 -202.89226 14.24763 3.44549 -203.62502 1275.06019
95.0000 -220.29065 -205.63683 14.65382 3.39935 -204.57203 1236.97481
100.0000 -219.24366 -203.52020 15.72347 3.40640 -204.42749 1252.64284
105.0000 -217.28034 -203.11291 14.16743 3.44092 -203.71890 1264.49601
110.0000 -215.31203 -198.72742 16.58461 3.50936 -202.31395 1284.99242
115.0000 -217.15175 -200.85619 16.29556 3.63452 -199.74485 1387.86381
120.0000 -220.07504 -202.57080 17.50424 3.49681 -202.57161 1311.76747
125.0000 -219.58714 -204.28378 15.30335 3.46950 -203.13206 1311.85613
130.0000 -215.54167 -201.00381 14.53786 3.48712 -202.77055 1350.59209
135.0000 -219.35680 -204.33457 15.02224 3.43906 -203.75693 1277.20575
140.0000 -222.88987 -207.96062 14.92926 3.33664 -205.85944 1245.99468
145.0000 -221.08603 -205.24677 15.83926 3.22342 -208.18343 1155.18983
150.0000 -223.28222 -208.32203 14.96019 3.27131 -207.20041 1170.12223
155.0000 -221.86110 -208.08157 13.77954 3.25380 -207.55974 1160.96777
160.0000 -221.22420 -206.99467 14.22953 3.25704 -207.49323 1155.73895
165.0000 -217.89336 -203.02373 14.86963 3.39699 -204.62045 1241.23803
170.0000 -219.31023 -204.11225 15.19798 3.44974 -203.53779 1288.51793
175.0000 -221.09705 -204.59362 16.50343 3.43166 -203.90896 1288.47388
180.0000 -218.51074 -203.24612 15.26462 3.45812 -203.36579 1306.21409
185.0000 -218.54704 -203.49618 15.05086 3.44540 -203.62687 1274.92573
190.0000 -219.47272 -200.54292 18.92979 3.55398 -201.39810 1348.77673
195.0000 -218.51369 -202.10227 16.41143 3.50542 -202.39479 1341.17582
200.0000 -216.78002 -201.09912 15.68089 3.51816 -202.13321 1312.89214
205.0000 -217.60565 -203.60065 14.00499 3.55005 -201.47874 1327.47946
210.0000 -219.75081 -204.90113 14.84968 3.43853 -203.76792 1280.18946
215.0000 -219.85012 -203.62004 16.23008 3.44554 -203.62401 1306.11401
220.0000 -219.92008 -206.16615 13.75394 3.40081 -204.54223 1256.03974
225.0000 -218.29449 -204.72268 13.57181 3.38899 -204.78484 1268.44392
230.0000 -216.51951 -200.75719 15.76232 3.51149 -202.27021 1323.08501
235.0000 -221.11577 -205.60044 15.51533 3.44512 -203.63250 1272.64782
240.0000 -217.99834 -201.40825 16.59009 3.44406 -203.65435 1251.20685
245.0000 -220.94399 -204.76727 16.17672 3.42684 -204.00790 1272.84764
250.0000 -219.14624 -203.52831 15.61792 3.41618 -204.22668 1257.08714
FREEZING PROCESS: loop number 2 T-loop= 1214.0000000000000
main_MD> interactions number 2 at Temperature= 1214.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58256 1.76697 2.27265
force_rgl> df(natom) 3.19515 1.62957 5.12384
255.0000 -218.96513 -201.29943 17.66571 3.45945 -203.33837 1286.12648
260.0000 -216.98158 -202.71709 14.26449 3.50318 -202.44081 1306.85959
265.0000 -220.39709 -206.06007 14.33702 3.41970 -204.15437 1265.57583
270.0000 -220.28044 -206.88657 13.39388 3.35251 -205.53365 1200.70131
275.0000 -218.79185 -203.23096 15.56090 3.36183 -205.34222 1256.12142
280.0000 -221.71870 -205.71377 16.00492 3.42543 -204.03683 1311.64876
285.0000 -222.27120 -206.84306 15.42814 3.25585 -207.51767 1181.44577
290.0000 -217.20222 -202.68347 14.51874 3.46200 -203.28608 1323.60546
295.0000 -221.15196 -207.03274 14.11922 3.42310 -204.08460 1270.70228
300.0000 -220.72921 -207.53656 13.19265 3.28346 -206.95105 1195.61002
305.0000 -218.67631 -203.24643 15.42988 3.32383 -206.12235 1240.68098
310.0000 -220.29365 -204.30967 15.98398 3.44916 -203.54975 1330.27517
315.0000 -220.43813 -206.98938 13.44875 3.26784 -207.27159 1171.87650
320.0000 -221.75566 -205.38266 16.37300 3.29465 -206.72130 1178.90604
325.0000 -220.29925 -205.85690 14.44235 3.33369 -205.91988 1222.93663
330.0000 -219.55285 -203.02785 16.52500 3.39482 -204.66513 1276.65540
335.0000 -220.70216 -205.36585 15.33631 3.33885 -205.81408 1233.01324
340.0000 -223.34622 -207.75151 15.59471 3.27141 -207.19834 1172.99552
345.0000 -221.67186 -206.95657 14.71529 3.24156 -207.81114 1199.93439
350.0000 -220.80616 -207.08620 13.71996 3.22294 -208.19327 1172.22009
355.0000 -224.77156 -210.01869 14.75287 3.20196 -208.62398 1150.01897
360.0000 -221.68538 -206.03226 15.65311 3.26982 -207.23090 1181.23487
365.0000 -223.07695 -207.16187 15.91508 3.30396 -206.53017 1190.11069
370.0000 -219.64018 -205.75137 13.88881 3.34932 -205.59908 1245.37581
375.0000 -221.61402 -207.54615 14.06786 3.31343 -206.33574 1220.30525
380.0000 -223.05948 -207.37319 15.68629 3.21723 -208.31037 1113.66818
385.0000 -219.97013 -203.93786 16.03227 3.27523 -207.11993 1177.77202
390.0000 -222.01288 -208.05835 13.95453 3.29086 -206.79901 1189.98479
395.0000 -222.63481 -206.59351 16.04130 3.28010 -207.01986 1189.57171
400.0000 -218.83673 -205.86473 12.97200 3.35376 -205.50791 1251.28915
405.0000 -221.51324 -206.71961 14.79363 3.28195 -206.98193 1164.54675
410.0000 -223.40376 -207.88034 15.52342 3.27574 -207.10944 1187.06730
415.0000 -223.53083 -208.97655 14.55429 3.20179 -208.62741 1133.49141
420.0000 -222.20198 -207.69339 14.50858 3.17528 -209.17158 1123.52813
425.0000 -221.94722 -206.68346 15.26376 3.31620 -206.27901 1245.10401
430.0000 -221.75078 -206.14329 15.60750 3.29640 -206.68533 1195.57030
435.0000 -221.81510 -208.36922 13.44587 3.34707 -205.64519 1229.24192
440.0000 -218.39135 -201.71167 16.67968 3.41131 -204.32654 1231.86937
445.0000 -223.08052 -207.49336 15.58716 3.38083 -204.95235 1225.58627
450.0000 -219.87464 -206.25723 13.61741 3.26395 -207.35143 1175.26002
455.0000 -222.47782 -208.64300 13.83482 3.25564 -207.52194 1150.65186
460.0000 -222.25037 -209.37545 12.87492 3.16600 -209.36212 1116.06853
465.0000 -220.93614 -207.16598 13.77016 3.23790 -207.88619 1152.68260
470.0000 -221.36700 -207.83064 13.53635 3.24232 -207.79536 1169.34840
475.0000 -221.40804 -206.82554 14.58251 3.28402 -206.93946 1178.09632
480.0000 -219.64923 -202.70480 16.94443 3.36004 -205.37912 1234.82702
485.0000 -221.14763 -206.25457 14.89306 3.38933 -204.77788 1257.88147
490.0000 -223.62444 -208.41246 15.21198 3.22539 -208.14289 1139.27378
495.0000 -220.70123 -207.51309 13.18814 3.26921 -207.24350 1127.74844
500.0000 -222.04429 -208.16010 13.88419 3.24520 -207.73625 1141.67161
FREEZING PROCESS: loop number 3 T-loop= 1189.0000000000000
main_MD> interactions number 3 at Temperature= 1189.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.97684 -0.51199 -2.55321
force_rgl> df(natom) 2.34583 -8.58635 -0.92416
505.0000 -219.56014 -206.29090 13.26924 3.23806 -207.88294 1191.33881
510.0000 -220.63127 -205.88373 14.74754 3.33114 -205.97228 1189.73861
515.0000 -220.60051 -204.97901 15.62150 3.33863 -205.81851 1240.28436
520.0000 -220.39697 -204.73141 15.66557 3.38816 -204.80171 1248.51595
525.0000 -220.98101 -206.78805 14.19297 3.30768 -206.45389 1181.64856
530.0000 -220.72461 -206.44781 14.27680 3.35699 -205.44159 1222.68781
535.0000 -220.75172 -205.51486 15.23686 3.30892 -206.42845 1203.76416
540.0000 -219.33385 -204.48901 14.84485 3.37021 -205.17020 1250.03059
545.0000 -221.30334 -207.00518 14.29815 3.35706 -205.44029 1226.30128
550.0000 -220.40905 -205.37545 15.03360 3.29671 -206.67900 1171.21804
555.0000 -221.16128 -206.52107 14.64022 3.33160 -205.96280 1239.74674
560.0000 -221.25106 -205.59392 15.65714 3.33173 -205.96014 1189.22216
565.0000 -223.79585 -207.24264 16.55320 3.31773 -206.24757 1200.19093
570.0000 -221.37260 -206.31387 15.05874 3.29679 -206.67726 1194.31089
575.0000 -220.34673 -204.78439 15.56234 3.30508 -206.50717 1195.26190
580.0000 -222.44150 -207.24368 15.19781 3.31128 -206.37990 1235.12282
585.0000 -219.05706 -204.74669 14.31037 3.31057 -206.39452 1180.88348
590.0000 -221.16007 -207.01543 14.14464 3.27808 -207.06141 1197.56540
595.0000 -221.00779 -205.96530 15.04249 3.34952 -205.59488 1187.14556
600.0000 -220.88365 -206.53721 14.34644 3.30106 -206.58962 1209.50439
605.0000 -221.51287 -205.42421 16.08866 3.34580 -205.67123 1250.55049
610.0000 -221.62849 -207.80099 13.82750 3.33925 -205.80577 1214.95622
615.0000 -223.11131 -209.49831 13.61300 3.21462 -208.36410 1140.83028
620.0000 -224.31979 -208.88974 15.43005 3.20415 -208.57902 1142.19556
625.0000 -222.50031 -208.57179 13.92852 3.14997 -209.69108 1108.56474
630.0000 -223.21522 -209.34043 13.87479 3.18389 -208.99487 1155.00422
635.0000 -222.36743 -206.91399 15.45344 3.19747 -208.71611 1130.44448
640.0000 -222.36701 -207.04704 15.31997 3.27637 -207.09655 1200.14736
645.0000 -221.85792 -205.39380 16.46412 3.32372 -206.12456 1204.57338
650.0000 -221.20096 -206.31440 14.88657 3.29004 -206.81593 1202.57869
655.0000 -219.79530 -206.84778 12.94752 3.27750 -207.07332 1185.44652
660.0000 -221.93713 -208.47990 13.45723 3.23535 -207.93855 1151.05084
665.0000 -223.66030 -206.55528 17.10503 3.31629 -206.27705 1178.36057
670.0000 -221.40782 -207.06353 14.34429 3.20534 -208.55460 1164.31500
675.0000 -219.53222 -205.31464 14.21759 3.34507 -205.68635 1225.02351
680.0000 -221.53421 -206.74119 14.79302 3.41395 -204.27243 1297.97952
685.0000 -221.80681 -207.54287 14.26394 3.29560 -206.70167 1192.25907
690.0000 -223.05950 -208.16942 14.89008 3.27794 -207.06419 1167.46809
695.0000 -221.58333 -208.49130 13.09203 3.19190 -208.83039 1138.87955
700.0000 -219.14045 -205.37555 13.76490 3.26849 -207.25818 1188.30775
705.0000 -220.03895 -206.40049 13.63846 3.32429 -206.11278 1220.38882
710.0000 -222.40409 -206.83616 15.56793 3.26521 -207.32553 1177.99719
715.0000 -221.32088 -206.71796 14.60293 3.28301 -206.96026 1165.90802
720.0000 -222.64126 -206.13273 16.50853 3.30377 -206.53398 1165.26665
725.0000 -222.77046 -207.38375 15.38671 3.25592 -207.51631 1177.58372
730.0000 -221.32306 -207.95909 13.36397 3.24813 -207.67622 1162.13393
735.0000 -223.75682 -211.45373 12.30309 3.21564 -208.34315 1117.23939
740.0000 -223.96337 -209.77279 14.19057 3.07513 -211.22722 1033.40910
745.0000 -221.67457 -209.92494 11.74963 3.09864 -210.74469 1052.35123
750.0000 -221.71510 -208.36691 13.34818 3.15296 -209.62964 1093.17025
FREEZING PROCESS: loop number 4 T-loop= 1164.0000000000000
main_MD> interactions number 4 at Temperature= 1164.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08413 1.58304 -2.05883
force_rgl> df(natom) -3.08179 5.93574 -0.53928
755.0000 -220.34922 -208.67834 11.67089 3.16984 -209.28322 1109.20502
760.0000 -225.92740 -211.09641 14.83098 3.11902 -210.32638 1080.09155
765.0000 -224.61872 -211.47052 13.14820 3.07042 -211.32408 1078.16801
770.0000 -224.04097 -211.34925 12.69171 3.09291 -210.86243 1091.74712
775.0000 -223.63435 -210.73036 12.90399 3.05548 -211.63060 1005.05229
780.0000 -221.13221 -207.43848 13.69373 3.18153 -209.04326 1119.34331
785.0000 -220.64874 -204.61340 16.03534 3.30123 -206.58624 1184.04310
790.0000 -222.02031 -208.43182 13.58849 3.29453 -206.72373 1193.80703
795.0000 -224.23006 -208.54807 15.68199 3.17989 -209.07698 1139.73642
800.0000 -222.92395 -210.13615 12.78779 3.16193 -209.44567 1100.36255
805.0000 -221.34457 -208.49770 12.84688 3.18268 -209.01973 1124.81153
810.0000 -222.07935 -208.59156 13.48779 3.19998 -208.66452 1120.08664
815.0000 -223.61613 -209.64562 13.97051 3.17558 -209.16549 1104.98314
820.0000 -221.69626 -205.30349 16.39277 3.30354 -206.53879 1197.72944
825.0000 -222.05436 -208.29929 13.75507 3.28116 -206.99816 1187.40385
830.0000 -222.98964 -208.36792 14.62171 3.21637 -208.32821 1133.69713
835.0000 -218.46169 -202.38913 16.07256 3.40465 -204.46341 1266.59755
840.0000 -221.74888 -207.77461 13.97427 3.33602 -205.87210 1221.01300
845.0000 -223.68543 -209.88939 13.79604 3.23359 -207.97455 1169.44140
850.0000 -222.90610 -210.67735 12.22875 3.08117 -211.10343 1100.55804
855.0000 -222.33853 -209.84866 12.48987 3.15195 -209.65041 1089.79512
860.0000 -224.65232 -210.51483 14.13749 3.08676 -210.98849 1062.61202
865.0000 -223.51797 -207.87962 15.63834 3.14248 -209.84476 1080.17266
870.0000 -223.46789 -209.06334 14.40455 3.20574 -208.54636 1106.15766
875.0000 -222.76429 -210.96252 11.80177 3.16551 -209.37214 1125.01086
880.0000 -221.23488 -206.02333 15.21154 3.19037 -208.86172 1114.17009
885.0000 -223.32366 -208.37416 14.94950 3.25263 -207.58381 1164.07521
890.0000 -220.45592 -207.58910 12.86682 3.27233 -207.17943 1169.02631
895.0000 -220.44189 -207.05734 13.38455 3.29402 -206.73421 1195.97748
900.0000 -220.30452 -208.13550 12.16902 3.31939 -206.21349 1206.97769
905.0000 -222.42323 -206.66997 15.75326 3.23590 -207.92719 1142.62684
910.0000 -221.67180 -207.22728 14.44452 3.37389 -205.09467 1242.24701
915.0000 -219.70655 -205.63844 14.06812 3.29250 -206.76542 1165.83899
920.0000 -220.24558 -205.65340 14.59218 3.38688 -204.82814 1257.23491
925.0000 -222.31906 -207.44345 14.87561 3.31446 -206.31461 1227.64376
930.0000 -223.02785 -206.53406 16.49379 3.25508 -207.53349 1182.97613
935.0000 -222.10525 -208.12025 13.98499 3.25791 -207.47540 1182.15370
940.0000 -221.80913 -208.82417 12.98496 3.24883 -207.66178 1189.44948
945.0000 -222.19807 -205.85425 16.34382 3.25300 -207.57624 1186.13710
950.0000 -220.38636 -208.12491 12.26145 3.26039 -207.42453 1154.94296
955.0000 -221.32933 -206.04019 15.28914 3.20099 -208.64387 1134.13841
960.0000 -221.28740 -207.83427 13.45313 3.27073 -207.21217 1186.97134
965.0000 -219.80371 -206.58506 13.21866 3.26759 -207.27677 1177.56971
970.0000 -220.79401 -208.04730 12.74671 3.23589 -207.92739 1135.11763
975.0000 -221.14014 -208.42564 12.71450 3.21214 -208.41484 1128.35396
980.0000 -220.05660 -207.78445 12.27214 3.19607 -208.74490 1118.31594
985.0000 -219.45670 -208.14826 11.30843 3.21099 -208.43859 1151.25113
990.0000 -221.69404 -207.63640 14.05764 3.24273 -207.78694 1139.02696
995.0000 -221.12131 -208.43770 12.68361 3.19400 -208.78720 1131.70820
1000.0000 -222.11084 -208.72507 13.38577 3.11908 -210.32525 1098.95925
FREEZING PROCESS: loop number 5 T-loop= 1139.0000000000000
main_MD> interactions number 5 at Temperature= 1139.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.40494 -7.73740 0.51365
force_rgl> df(natom) 0.21062 -1.60308 3.79238
1005.0000 -221.05294 -206.59557 14.45737 3.28304 -206.95968 1192.13336
1010.0000 -222.15103 -207.56046 14.59057 3.31868 -206.22794 1192.15765
1015.0000 -220.04327 -206.91511 13.12816 3.24217 -207.79846 1156.87969
1020.0000 -220.44781 -206.83174 13.61607 3.29842 -206.64386 1200.21939
1025.0000 -221.63418 -207.65972 13.97445 3.22887 -208.07149 1127.17948
1030.0000 -222.56814 -207.93334 14.63480 3.18578 -208.95595 1149.31769
1035.0000 -222.98784 -207.54723 15.44061 3.24862 -207.66619 1171.48471
1040.0000 -220.92967 -206.52819 14.40148 3.30888 -206.42923 1180.19474
1045.0000 -220.63193 -206.36982 14.26211 3.29200 -206.77561 1158.68313
1050.0000 -221.28371 -207.00137 14.28234 3.22411 -208.16929 1112.48382
1055.0000 -222.60239 -210.24207 12.36032 3.21982 -208.25739 1155.58406
1060.0000 -219.56577 -207.56585 11.99992 3.12761 -210.15008 1077.92235
1065.0000 -223.06450 -207.36967 15.69483 3.29859 -206.64039 1180.59834
1070.0000 -220.45598 -207.67700 12.77897 3.25431 -207.54933 1153.28528
1075.0000 -220.15162 -207.04823 13.10339 3.31002 -206.40582 1189.51931
1080.0000 -222.18777 -210.01422 12.17355 3.18759 -208.91896 1106.56673
1085.0000 -224.72035 -210.51879 14.20156 3.12168 -210.27180 1072.08484
1090.0000 -221.57750 -207.54838 14.02912 3.16702 -209.34101 1128.27670
1095.0000 -222.33110 -209.29043 13.04068 3.20657 -208.52920 1124.72273
1100.0000 -223.21566 -209.64413 13.57153 3.13379 -210.02315 1089.24960
1105.0000 -221.59017 -208.53662 13.05355 3.17198 -209.23933 1071.53850
1110.0000 -223.02789 -208.54324 14.48464 3.26236 -207.38401 1166.62543
1115.0000 -222.99725 -209.42554 13.57171 3.19663 -208.73323 1133.76211
1120.0000 -224.94359 -212.66188 12.28171 3.10456 -210.62322 1085.35338
1125.0000 -225.19940 -209.98631 15.21309 3.04768 -211.79082 1049.56763
1130.0000 -219.37552 -206.28499 13.09053 3.28232 -206.97435 1174.33610
1135.0000 -221.32080 -206.27041 15.05039 3.28014 -207.01915 1156.34625
1140.0000 -220.99527 -206.78845 14.20683 3.27395 -207.14618 1149.39410
1145.0000 -221.09720 -208.47554 12.62166 3.32854 -206.02571 1197.83361
1150.0000 -222.58959 -208.87292 13.71668 3.24294 -207.78267 1164.18638
1155.0000 -220.66028 -206.72725 13.93302 3.30493 -206.51021 1210.50123
1160.0000 -222.05170 -207.77657 14.27513 3.24388 -207.76333 1145.41816
1165.0000 -222.99515 -208.73968 14.25546 3.16566 -209.36910 1107.56059
1170.0000 -220.86874 -206.35254 14.51620 3.29681 -206.67699 1193.45917
1175.0000 -219.32342 -205.34504 13.97838 3.35687 -205.44402 1262.77823
1180.0000 -221.11676 -204.70927 16.40748 3.37938 -204.98212 1254.57532
1185.0000 -221.85505 -206.31525 15.53980 3.36256 -205.32721 1238.28376
1190.0000 -220.78759 -205.74436 15.04322 3.34780 -205.63036 1227.69304
1195.0000 -221.01128 -208.42507 12.58620 3.30362 -206.53708 1165.92485
1200.0000 -223.05029 -208.92187 14.12842 3.19968 -208.67066 1101.70365
1205.0000 -223.85833 -210.44108 13.41725 3.11394 -210.43062 1102.24884
1210.0000 -223.15015 -208.27347 14.87668 3.20779 -208.50425 1132.51034
1215.0000 -223.57851 -209.80765 13.77086 3.13027 -210.09552 1102.84201
1220.0000 -223.05818 -210.78425 12.27392 3.05672 -211.60512 1062.01850
1225.0000 -224.87982 -211.18129 13.69853 3.08541 -211.01637 1107.94255
1230.0000 -223.50357 -210.12684 13.37672 3.11388 -210.43198 1085.23519
1235.0000 -222.60638 -208.19492 14.41146 3.17700 -209.13628 1126.99804
1240.0000 -223.25676 -208.48356 14.77320 3.23720 -207.90055 1147.10090
1245.0000 -221.51790 -208.62038 12.89752 3.17171 -209.24477 1133.86000
1250.0000 -222.86852 -207.88059 14.98794 3.19973 -208.66975 1107.43134
FREEZING PROCESS: loop number 6 T-loop= 1114.0000000000000
main_MD> interactions number 6 at Temperature= 1114.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.16069 0.33286 0.99525
force_rgl> df(natom) 5.68426 -2.32519 -2.50681
1255.0000 -222.93376 -208.60139 14.33237 3.25076 -207.62210 1140.06216
1260.0000 -224.10738 -210.43826 13.66912 3.21151 -208.42791 1119.92718
1265.0000 -221.10526 -206.18125 14.92401 3.15907 -209.50424 1091.04838
1270.0000 -223.51368 -209.21659 14.29709 3.23316 -207.98340 1165.92072
1275.0000 -222.84238 -208.73620 14.10617 3.20570 -208.54720 1154.69773
1280.0000 -222.74039 -207.80654 14.93386 3.24442 -207.75234 1136.55039
1285.0000 -223.27794 -208.81425 14.46369 3.26382 -207.35412 1164.56997
1290.0000 -222.29194 -207.76748 14.52446 3.20624 -208.53611 1144.81429
1295.0000 -222.88728 -210.95860 11.92868 3.17730 -209.13006 1095.28035
1300.0000 -224.18123 -210.46322 13.71801 3.08200 -211.08631 1048.17710
1305.0000 -225.50019 -211.93462 13.56557 3.02364 -212.28427 1049.93206
1310.0000 -225.06461 -212.74033 12.32428 2.94981 -213.79968 1008.76611
1315.0000 -224.39668 -211.93350 12.46318 3.03936 -211.96150 1010.00987
1320.0000 -225.11904 -212.87273 12.24630 2.98666 -213.04328 991.00578
1325.0000 -220.21692 -208.08818 12.12873 3.11048 -210.50168 1064.32158
1330.0000 -224.18201 -211.16208 13.01993 3.21284 -208.40049 1121.94144
1335.0000 -223.19819 -212.04762 11.15057 3.06429 -211.44984 1031.28515
1340.0000 -221.33242 -209.52391 11.80851 3.09289 -210.86274 1046.68692
1345.0000 -223.30872 -210.17257 13.13615 3.11175 -210.47559 1083.54406
1350.0000 -220.33636 -207.67222 12.66414 3.15946 -209.49622 1102.95762
1355.0000 -221.62766 -209.91417 11.71348 3.16689 -209.34386 1085.56139
1360.0000 -225.87845 -212.36444 13.51401 3.11140 -210.48277 1088.99530
1365.0000 -223.92804 -211.73299 12.19505 3.05319 -211.67758 1054.67239
1370.0000 -222.44672 -208.54047 13.90625 3.10899 -210.53221 1081.35277
1375.0000 -221.70488 -206.82944 14.87544 3.20034 -208.65721 1139.58730
1380.0000 -221.17909 -208.49249 12.68660 3.25674 -207.49947 1144.99110
1385.0000 -222.82028 -210.34304 12.47724 3.18495 -208.97301 1116.07818
1390.0000 -220.73827 -206.27752 14.46074 3.24948 -207.64838 1154.57627
1395.0000 -218.91167 -205.42410 13.48757 3.33489 -205.89521 1208.53874
1400.0000 -221.38336 -207.25064 14.13272 3.40666 -204.42206 1230.84750
1405.0000 -222.07999 -207.74466 14.33533 3.30567 -206.49507 1185.26631
1410.0000 -221.39448 -209.41059 11.98389 3.17481 -209.18121 1118.25229
1415.0000 -224.28901 -213.10648 11.18254 3.12838 -210.13417 1090.96533
1420.0000 -222.62420 -209.06764 13.55656 3.09564 -210.80636 1073.86728
1425.0000 -222.71730 -209.53992 13.17739 3.19630 -208.74009 1141.40382
1430.0000 -223.57435 -211.43634 12.13801 3.11607 -210.38695 1095.20692
1435.0000 -221.07681 -208.60537 12.47144 3.16787 -209.32356 1117.22773
1440.0000 -220.81719 -207.44279 13.37440 3.19684 -208.72908 1147.85661
1445.0000 -219.88919 -206.14759 13.74160 3.30137 -206.58340 1210.58057
1450.0000 -223.74626 -210.90286 12.84340 3.20896 -208.48018 1132.97674
1455.0000 -224.51985 -212.20562 12.31424 3.03509 -212.04920 1030.93430
1460.0000 -222.28693 -208.79459 13.49234 3.12204 -210.26444 1098.76281
1465.0000 -222.44686 -210.72891 11.71795 3.21430 -208.37057 1109.24485
1470.0000 -226.27155 -213.80384 12.46771 3.05656 -211.60844 1021.53364
1475.0000 -223.02588 -210.05439 12.97149 3.10288 -210.65779 1081.14267
1480.0000 -222.51856 -210.14246 12.37610 3.12115 -210.28263 1075.22849
1485.0000 -223.52360 -208.75856 14.76504 3.14369 -209.81998 1093.43909
1490.0000 -220.73988 -207.50163 13.23825 3.19823 -208.70052 1106.34753
1495.0000 -221.52848 -207.64203 13.88646 3.24372 -207.76673 1175.31301
1500.0000 -221.72802 -208.24461 13.48340 3.17127 -209.25390 1122.28732
FREEZING PROCESS: loop number 7 T-loop= 1089.0000000000000
main_MD> interactions number 7 at Temperature= 1089.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67502 -1.93501 -0.01524
force_rgl> df(natom) 1.97943 7.67974 3.45986
1505.0000 -222.16738 -209.06057 13.10681 3.17612 -209.15428 1128.97354
1510.0000 -221.98664 -209.86657 12.12007 3.16170 -209.45040 1106.83441
1515.0000 -222.21330 -208.24562 13.96768 3.20755 -208.50919 1107.01809
1520.0000 -220.68639 -208.17720 12.50919 3.20963 -208.46640 1130.05558
1525.0000 -220.48210 -207.91517 12.56693 3.24712 -207.69689 1146.52561
1530.0000 -224.59002 -211.19245 13.39757 3.13420 -210.01486 1094.10945
1535.0000 -225.75670 -213.28383 12.47288 2.95291 -213.73617 973.78903
1540.0000 -223.95789 -210.41933 13.53857 3.07089 -211.31434 1054.76380
1545.0000 -223.26197 -210.63683 12.62515 3.06009 -211.53611 1066.33729
1550.0000 -222.34283 -207.41768 14.92515 3.17224 -209.23395 1115.53025
1555.0000 -225.40461 -212.97622 12.42839 3.05138 -211.71489 1052.84315
1560.0000 -222.56885 -211.25833 11.31052 3.03761 -211.99742 1023.80076
1565.0000 -224.26271 -209.34660 14.91611 3.11391 -210.43127 1056.23607
1570.0000 -224.34833 -209.80597 14.54236 3.17221 -209.23458 1097.43733
1575.0000 -222.72262 -208.46431 14.25831 3.16814 -209.31817 1141.65330
1580.0000 -223.49050 -211.25809 12.23241 3.12919 -210.11755 1087.60349
1585.0000 -224.83880 -211.53669 13.30211 3.08774 -210.96841 1042.83631
1590.0000 -221.30162 -207.55149 13.75012 3.17056 -209.26834 1121.67555
1595.0000 -224.73298 -212.03231 12.70068 3.15638 -209.55942 1109.66475
1600.0000 -223.37791 -209.82249 13.55542 3.08254 -211.07512 1084.23716
1605.0000 -223.96029 -210.96866 12.99163 3.12338 -210.23699 1071.30779
1610.0000 -223.95103 -209.33364 14.61739 3.12826 -210.13678 1051.25148
1615.0000 -220.85612 -208.42463 12.43149 3.19181 -208.83224 1120.17451
1620.0000 -225.41044 -211.21033 14.20012 3.14506 -209.79184 1092.07564
1625.0000 -220.04439 -205.25781 14.78658 3.20471 -208.56743 1146.74182
1630.0000 -221.54792 -207.20928 14.33864 3.30541 -206.50033 1200.58096
1635.0000 -223.23917 -209.18943 14.04974 3.16729 -209.33551 1132.01776
1640.0000 -222.02766 -210.08574 11.94192 3.19682 -208.72949 1119.69739
1645.0000 -225.77194 -211.30146 14.47049 3.11216 -210.46720 1070.69717
1650.0000 -223.16239 -209.71129 13.45111 3.14920 -209.70689 1111.68033
1655.0000 -223.94180 -212.01218 11.92963 3.06221 -211.49246 1051.13210
1660.0000 -223.99348 -210.57728 13.41620 3.10454 -210.62360 1041.02281
1665.0000 -223.36766 -211.35921 12.00845 3.07545 -211.22078 1059.95268
1670.0000 -222.47554 -211.24444 11.23111 3.14223 -209.84987 1102.23353
1675.0000 -222.06512 -211.94095 10.12416 3.04129 -211.92204 1021.68369
1680.0000 -224.39854 -210.12374 14.27480 3.14273 -209.83972 1105.96038
1685.0000 -222.77784 -210.51194 12.26591 3.13469 -210.00477 1086.33824
1690.0000 -223.95824 -211.81834 12.13991 3.10150 -210.68605 1066.02550
1695.0000 -224.52325 -211.26065 13.26259 3.08350 -211.05541 1032.74528
1700.0000 -221.92520 -209.10535 12.81985 3.21336 -208.38994 1136.05288
1705.0000 -221.58952 -209.77910 11.81042 3.14598 -209.77294 1071.36595
1710.0000 -226.50927 -213.94782 12.56145 3.02525 -212.25129 1018.69924
1715.0000 -226.25220 -213.48761 12.76458 2.95232 -213.74827 960.80269
1720.0000 -224.78278 -213.07087 11.71192 2.97355 -213.31240 1010.43507
1725.0000 -224.66455 -211.54219 13.12236 2.94196 -213.96085 984.09188
1730.0000 -221.36760 -208.92283 12.44477 3.13351 -210.02889 1069.75128
1735.0000 -221.49253 -207.96792 13.52461 3.17227 -209.23339 1139.34758
1740.0000 -220.94018 -207.29893 13.64125 3.22228 -208.20669 1160.75089
1745.0000 -223.35083 -209.34935 14.00148 3.19426 -208.78203 1127.00819
1750.0000 -222.54841 -210.04392 12.50450 3.12652 -210.17254 1094.72487
FREEZING PROCESS: loop number 8 T-loop= 1064.0000000000000
main_MD> interactions number 8 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.94660 -5.75856 -0.75557
force_rgl> df(natom) -2.72466 1.43516 1.66776
1755.0000 -223.65294 -210.94338 12.70956 3.10791 -210.55449 1066.32341
1760.0000 -223.88900 -210.16931 13.71970 3.12328 -210.23902 1075.80622
1765.0000 -221.37912 -207.68161 13.69751 3.18956 -208.87843 1119.94491
1770.0000 -221.58245 -208.03233 13.55012 3.26277 -207.37570 1160.91210
1775.0000 -224.41081 -212.01855 12.39226 3.12723 -210.15794 1086.62238
1780.0000 -221.66668 -209.25876 12.40792 3.04933 -211.75691 1049.15596
1785.0000 -222.81806 -209.58657 13.23149 3.13095 -210.08141 1086.75593
1790.0000 -222.25222 -209.53590 12.71632 3.16353 -209.41275 1117.73160
1795.0000 -222.33268 -208.64287 13.68981 3.21613 -208.33305 1141.25712
1800.0000 -222.02317 -209.54410 12.47908 3.17164 -209.24636 1133.13049
1805.0000 -223.11948 -211.73607 11.38341 3.07157 -211.30039 1061.69311
1810.0000 -222.70367 -210.32792 12.37574 3.01823 -212.39532 1015.21919
1815.0000 -222.40509 -209.91052 12.49457 3.10587 -210.59624 1081.72543
1820.0000 -224.21643 -209.44501 14.77142 3.12779 -210.14641 1087.91666
1825.0000 -225.33163 -213.51625 11.81538 3.09234 -210.87406 1052.64089
1830.0000 -224.76136 -212.19364 12.56773 3.00547 -212.65714 1002.89928
1835.0000 -223.09632 -211.69588 11.40044 2.98531 -213.07097 1019.23715
1840.0000 -223.51346 -211.41420 12.09926 3.05931 -211.55201 1083.11017
1845.0000 -225.19335 -213.06532 12.12803 3.04071 -211.93394 1031.35808
1850.0000 -223.90647 -212.33187 11.57459 3.04968 -211.74973 1028.24130
1855.0000 -225.15170 -213.78313 11.36857 2.94648 -213.86804 1001.40890
1860.0000 -224.24216 -211.98985 12.25231 3.03533 -212.04430 1037.92564
1865.0000 -225.27221 -215.32945 9.94276 3.00524 -212.66188 991.17682
1870.0000 -221.68565 -209.31819 12.36746 3.06243 -211.48801 1029.37321
1875.0000 -222.77113 -207.45204 15.31910 3.21314 -208.39450 1142.91210
1880.0000 -223.49939 -211.87790 11.62149 3.13100 -210.08050 1086.33613
1885.0000 -225.01621 -210.54001 14.47620 3.09310 -210.85835 1079.07856
1890.0000 -226.59584 -214.05465 12.54119 3.00055 -212.75826 1021.45436
1895.0000 -225.39819 -213.40069 11.99750 2.94460 -213.90674 957.00390
1900.0000 -225.17895 -213.20794 11.97101 2.99143 -212.94544 1024.94960
1905.0000 -221.94968 -210.24951 11.70017 3.12335 -210.23757 1088.42629
1910.0000 -223.85671 -210.89587 12.96084 3.10789 -210.55489 1063.29497
1915.0000 -225.44399 -211.75830 13.68568 3.06833 -211.36681 1056.68815
1920.0000 -225.56077 -212.59144 12.96933 3.00045 -212.76035 1041.85335
1925.0000 -224.78087 -212.63368 12.14718 3.07957 -211.13610 1064.08363
1930.0000 -223.77105 -211.80941 11.96164 3.02128 -212.33275 1018.02531
1935.0000 -225.90556 -211.90147 14.00409 3.04334 -211.87980 1039.04246
1940.0000 -223.61733 -211.42101 12.19632 3.02305 -212.29633 1035.14744
1945.0000 -224.90699 -214.13476 10.77223 2.96808 -213.42481 987.79546
1950.0000 -223.86498 -211.92019 11.94479 2.96105 -213.56903 1009.10815
1955.0000 -222.35866 -209.35066 13.00800 3.14138 -209.86749 1101.32709
1960.0000 -223.51108 -210.86369 12.64739 3.11636 -210.38095 1072.70165
1965.0000 -222.69173 -210.33290 12.35883 3.14243 -209.84584 1105.89421
1970.0000 -223.56616 -208.21386 15.35230 3.13882 -209.91988 1087.87214
1975.0000 -225.62543 -212.58340 13.04203 3.15126 -209.66452 1085.37213
1980.0000 -224.19615 -211.31416 12.88199 3.04585 -211.82834 1008.95228
1985.0000 -224.29708 -211.31193 12.98515 3.10058 -210.70487 1071.21835
1990.0000 -224.25055 -210.47884 13.77171 3.06156 -211.50595 1066.16461
1995.0000 -224.42453 -211.10563 13.31890 3.08075 -211.11202 1079.95604
2000.0000 -225.26567 -214.42791 10.83776 2.98308 -213.11673 1001.28182
FREEZING PROCESS: loop number 9 T-loop= 1039.0000000000000
main_MD> interactions number 9 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.12694 2.76399 -1.95920
force_rgl> df(natom) -0.56433 0.43128 -2.83500
2005.0000 -225.20563 -213.36937 11.83626 2.94484 -213.90166 965.43813
2010.0000 -225.81868 -212.47790 13.34078 2.98444 -213.08882 997.76437
2015.0000 -224.06508 -211.39374 12.67134 3.05172 -211.70791 1022.67228
2020.0000 -225.00936 -211.11139 13.89797 3.07582 -211.21311 1058.70643
2025.0000 -224.72724 -212.14459 12.58265 3.06751 -211.38374 1042.11149
2030.0000 -225.94255 -212.81823 13.12432 3.00235 -212.72125 1010.81477
2035.0000 -223.20065 -210.37070 12.82995 3.02996 -212.15448 1038.57291
2040.0000 -224.56926 -210.61653 13.95273 3.13538 -209.99052 1105.69811
2045.0000 -223.83552 -209.99633 13.83920 3.15083 -209.67344 1070.55163
2050.0000 -222.99497 -208.90580 14.08917 3.14666 -209.75911 1094.00698
2055.0000 -223.07784 -209.79908 13.27876 3.14795 -209.73264 1071.51263
2060.0000 -224.11303 -210.61054 13.50249 3.19480 -208.77088 1113.15043
2065.0000 -226.66178 -213.38746 13.27432 3.03009 -212.15187 1067.50828
2070.0000 -225.27047 -210.84442 14.42605 3.03613 -212.02789 1041.30069
2075.0000 -224.02203 -210.39935 13.62268 3.17327 -209.21291 1123.97156
2080.0000 -222.84842 -210.38686 12.46156 3.16621 -209.35773 1071.88051
2085.0000 -221.80428 -207.63377 14.17052 3.16999 -209.28011 1089.79499
2090.0000 -222.54062 -207.19439 15.34623 3.33570 -205.87868 1204.35953
2095.0000 -222.65901 -209.95127 12.70774 3.19876 -208.68959 1100.17633
2100.0000 -223.21393 -208.04743 15.16650 3.16057 -209.47346 1119.22149
2105.0000 -223.40965 -208.48807 14.92158 3.18352 -209.00231 1115.54088
2110.0000 -223.52994 -211.83944 11.69050 3.13137 -210.07290 1119.96290
2115.0000 -223.22512 -210.54793 12.67720 3.01904 -212.37868 1018.72390
2120.0000 -222.77109 -208.94777 13.82332 3.14340 -209.82595 1091.23846
2125.0000 -224.02049 -211.94940 12.07110 3.10018 -210.71321 1070.32593
2130.0000 -225.23181 -211.64456 13.58725 3.04716 -211.80153 1027.81209
2135.0000 -225.48819 -213.96323 11.52496 2.99092 -212.95584 986.07633
2140.0000 -224.68325 -212.44611 12.23714 2.96504 -213.48714 998.89795
2145.0000 -224.95566 -212.80592 12.14974 3.03818 -211.98588 1056.14332
2150.0000 -224.19869 -213.44525 10.75344 3.03169 -212.11897 1033.59827
2155.0000 -226.69847 -213.80680 12.89167 2.93383 -214.12786 942.34313
2160.0000 -222.61765 -212.65864 9.95901 2.98302 -213.11802 1027.98879
2165.0000 -224.33767 -211.78206 12.55561 3.05487 -211.64328 1020.22954
2170.0000 -223.38778 -212.92538 10.46240 3.03459 -212.05950 981.91898
2175.0000 -225.81256 -214.08486 11.72770 2.95519 -213.68940 974.98413
2180.0000 -224.17517 -209.80716 14.36800 3.01341 -212.49427 1002.46106
2185.0000 -223.36317 -211.69834 11.66483 3.11084 -210.49438 1053.78546
2190.0000 -225.40803 -214.16285 11.24518 2.99915 -212.78685 977.62738
2195.0000 -224.78996 -212.62301 12.16695 2.97669 -213.24805 991.05579
2200.0000 -222.01666 -208.39409 13.62257 3.08782 -210.96686 1077.50653
2205.0000 -222.36595 -208.27594 14.09002 3.20362 -208.58981 1108.73664
2210.0000 -222.14569 -209.83861 12.30708 3.17987 -209.07738 1080.11975
2215.0000 -224.08280 -208.04273 16.04006 3.13808 -209.93521 1105.56485
2220.0000 -223.68655 -207.83091 15.85564 3.24081 -207.82635 1176.01857
2225.0000 -223.11329 -210.04628 13.06701 3.18774 -208.91582 1151.35187
2230.0000 -225.66651 -211.32762 14.33889 3.10368 -210.64129 1061.71927
2235.0000 -226.80304 -214.61488 12.18816 2.99437 -212.88515 988.34116
2240.0000 -221.72829 -209.37088 12.35741 3.06123 -211.51268 1038.61893
2245.0000 -222.70618 -211.38990 11.31628 3.08911 -210.94032 1028.66218
2250.0000 -225.31894 -213.42193 11.89701 3.03539 -212.04306 1032.08615
FREEZING PROCESS: loop number 10 T-loop= 1014.0000000000000
main_MD> interactions number 10 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52229 0.23046 -0.27792
force_rgl> df(natom) 0.84206 1.79476 1.47332
2255.0000 -223.60242 -211.41905 12.18337 3.03707 -212.00861 1050.39275
2260.0000 -224.23425 -211.48520 12.74906 3.02818 -212.19107 1023.02950
2265.0000 -223.21768 -210.07258 13.14510 3.08786 -210.96608 1044.78374
2270.0000 -225.87224 -213.38084 12.49141 3.05139 -211.71457 1043.77013
2275.0000 -225.49221 -214.23828 11.25393 3.00333 -212.70109 1038.51976
2280.0000 -227.04977 -214.41623 12.63354 2.94532 -213.89188 979.58835
2285.0000 -225.89559 -213.98441 11.91118 2.90241 -214.77272 921.60642
2290.0000 -224.93842 -211.63583 13.30259 2.99598 -212.85207 994.42778
2295.0000 -224.25765 -212.05430 12.20335 3.08470 -211.03083 1039.55906
2300.0000 -226.89391 -215.17121 11.72270 2.97087 -213.36736 994.20085
2305.0000 -225.76376 -212.28436 13.47941 2.95288 -213.73670 989.74827
2310.0000 -224.24588 -212.52494 11.72094 3.03477 -212.05573 1037.68592
2315.0000 -223.51768 -212.25703 11.26066 3.03119 -212.12919 1014.16052
2320.0000 -226.51828 -216.88366 9.63462 2.90608 -214.69736 943.93114
2325.0000 -226.04444 -213.59655 12.44789 2.84421 -215.96746 922.89456
2330.0000 -225.22187 -212.91216 12.30971 3.00371 -212.69338 1017.40810
2335.0000 -224.24840 -209.69697 14.55143 3.03048 -212.14377 1040.04694
2340.0000 -223.88905 -211.65055 12.23850 3.07204 -211.29065 1053.81663
2345.0000 -224.78163 -210.85401 13.92762 3.14234 -209.84767 1125.23307
2350.0000 -225.03301 -213.23713 11.79588 3.07830 -211.16221 1056.40502
2355.0000 -226.05120 -212.11149 13.93971 3.01482 -212.46526 1022.96631
2360.0000 -224.46317 -211.89059 12.57258 3.08634 -210.99716 1056.57956
2365.0000 -222.62460 -210.55714 12.06746 3.08589 -211.00642 1051.83884
2370.0000 -224.17471 -211.54125 12.63346 3.07505 -211.22894 1036.74319
2375.0000 -223.52712 -212.88584 10.64129 3.00843 -212.59643 1004.45082
2380.0000 -226.12523 -211.40451 14.72072 3.03380 -212.07569 1019.25986
2385.0000 -223.72137 -212.65945 11.06192 3.02761 -212.20268 1019.88451
2390.0000 -225.62009 -213.17241 12.44768 2.95878 -213.61572 991.78057
2395.0000 -225.98997 -210.06398 15.92600 3.05316 -211.67825 1062.60078
2400.0000 -225.27384 -212.27470 12.99915 3.04694 -211.80605 1065.52942
2405.0000 -223.42729 -210.57477 12.85252 3.07783 -211.17196 1088.86070
2410.0000 -224.10826 -212.31185 11.79642 3.08221 -211.08204 1048.94736
2415.0000 -224.25511 -212.40753 11.84759 2.99479 -212.87652 1006.80205
2420.0000 -224.02742 -212.18850 11.83891 3.00327 -212.70229 1030.59680
2425.0000 -224.90446 -211.74665 13.15782 3.10539 -210.60620 1076.51847
2430.0000 -226.25261 -214.10732 12.14529 3.00339 -212.69987 1004.16196
2435.0000 -225.03921 -213.38426 11.65495 2.97634 -213.25511 1013.23311
2440.0000 -225.49684 -213.53714 11.95970 2.92379 -214.33375 951.83595
2445.0000 -226.10278 -215.49524 10.60754 2.94736 -213.85004 945.75551
2450.0000 -223.93699 -211.33175 12.60523 2.94867 -213.82308 961.73710
2455.0000 -226.58693 -213.75506 12.83187 3.01882 -212.38318 1025.05393
2460.0000 -224.16303 -212.37246 11.79057 2.99709 -212.82914 999.41284
2465.0000 -224.18590 -212.94426 11.24164 3.00574 -212.65169 1005.40260
2470.0000 -226.67550 -213.53098 13.14451 2.93320 -214.14069 954.04895
2475.0000 -226.25150 -214.78074 11.47077 2.93718 -214.05894 987.28821
2480.0000 -223.61788 -211.83853 11.77935 2.96115 -213.56702 974.34836
2485.0000 -223.44812 -212.02753 11.42058 3.07617 -211.20602 1062.21855
2490.0000 -222.63742 -210.03780 12.59962 3.14798 -209.73189 1070.21953
2495.0000 -224.92902 -213.69445 11.23458 3.00213 -212.72575 989.88492
2500.0000 -225.13597 -213.57548 11.56049 2.93154 -214.17468 977.24535
FREEZING PROCESS: loop number 11 T-loop= 989.00000000000000
main_MD> interactions number 11 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48169 -1.22706 -4.49387
force_rgl> df(natom) -0.88277 0.42856 -2.78633
2505.0000 -224.41713 -211.99906 12.41807 3.02391 -212.27873 1023.90267
2510.0000 -223.51482 -210.66883 12.84599 3.04471 -211.85171 1034.63917
2515.0000 -224.53629 -212.79747 11.73882 3.04294 -211.88803 1022.49456
2520.0000 -225.86570 -214.01326 11.85244 2.97483 -213.28618 989.56131
2525.0000 -226.84962 -214.48634 12.36328 2.86329 -215.57564 900.12966
2530.0000 -224.73292 -212.98505 11.74787 2.93960 -214.00925 969.34395
2535.0000 -224.43039 -213.83123 10.59916 2.91462 -214.52207 950.48265
2540.0000 -225.12910 -213.57704 11.55206 2.92949 -214.21683 952.00520
2545.0000 -224.59133 -212.68977 11.90156 2.90072 -214.80748 956.02540
2550.0000 -224.91275 -211.77381 13.13895 3.04539 -211.83776 1028.44150
2555.0000 -225.65850 -214.84553 10.81297 3.01164 -212.53067 1014.33921
2560.0000 -225.48493 -214.57390 10.91103 2.88013 -215.22997 937.93879
2565.0000 -226.03586 -214.89772 11.13814 2.96562 -213.47513 989.71219
2570.0000 -225.27508 -214.38670 10.88838 2.91754 -214.46221 944.08288
2575.0000 -222.66002 -211.16396 11.49606 2.99759 -212.81897 993.84000
2580.0000 -223.84178 -211.17546 12.66632 3.02458 -212.26498 1036.09633
2585.0000 -226.28350 -215.49231 10.79119 2.99585 -212.85477 1000.14611
2590.0000 -226.75185 -214.62942 12.12243 2.87679 -215.29861 930.73628
2595.0000 -226.42473 -212.67952 13.74521 2.98632 -213.05037 990.19836
2600.0000 -226.12052 -216.00286 10.11766 2.98314 -213.11563 982.03452
2605.0000 -226.60649 -215.73154 10.87495 2.86286 -215.58463 902.63890
2610.0000 -225.81724 -213.52115 12.29609 2.89561 -214.91236 953.74373
2615.0000 -225.54523 -212.36275 13.18249 2.94274 -213.94481 970.29986
2620.0000 -225.85665 -212.77119 13.08546 3.01671 -212.42651 1022.27441
2625.0000 -224.39779 -210.76127 13.63652 3.04153 -211.91701 1053.71518
2630.0000 -223.10378 -210.70117 12.40261 3.06572 -211.42057 1028.27332
2635.0000 -223.46730 -212.02828 11.43902 2.99639 -212.84361 992.08682
2640.0000 -226.19332 -214.29095 11.90237 2.99708 -212.82945 1024.83876
2645.0000 -226.82587 -214.99928 11.82660 2.93607 -214.08176 984.03144
2650.0000 -225.90607 -213.90688 11.99919 2.91363 -214.54237 950.03737
2655.0000 -225.22304 -213.49335 11.72969 2.99414 -212.88985 989.95437
2660.0000 -222.16865 -210.57000 11.59864 3.07296 -211.27192 1065.30349
2665.0000 -224.17804 -214.08981 10.08823 3.00254 -212.71732 1026.71452
2670.0000 -226.83540 -215.40904 11.42637 2.91951 -214.42179 962.82346
2675.0000 -227.29851 -215.55485 11.74367 2.90272 -214.76632 948.74964
2680.0000 -224.41111 -213.74470 10.66641 2.96018 -213.58682 993.39154
2685.0000 -225.22774 -212.38931 12.83844 3.04102 -211.92757 1034.57793
2690.0000 -226.71551 -214.38997 12.32554 2.94636 -213.87063 964.22691
2695.0000 -225.28385 -215.00307 10.28078 2.88854 -215.05752 933.18957
2700.0000 -228.14532 -216.40441 11.74091 2.84943 -215.86016 925.97254
2705.0000 -227.11171 -214.23807 12.87364 2.91148 -214.58659 967.34741
2710.0000 -225.71829 -214.37927 11.33902 2.87902 -215.25281 955.89765
2715.0000 -224.88015 -213.10064 11.77951 2.96680 -213.45089 979.84388
2720.0000 -225.49199 -213.77897 11.71301 2.97525 -213.27753 1010.54103
2725.0000 -225.32399 -214.66420 10.65979 2.93417 -214.12081 966.46681
2730.0000 -224.23577 -212.63179 11.60398 2.97024 -213.38039 962.82875
2735.0000 -225.51644 -212.72553 12.79091 2.99130 -212.94808 1003.05254
2740.0000 -224.27462 -212.30370 11.97092 3.00487 -212.66949 1005.41337
2745.0000 -223.66953 -211.08144 12.58809 3.01936 -212.37219 1012.63070
2750.0000 -224.09317 -212.60471 11.48846 3.03893 -211.97030 1037.11066
FREEZING PROCESS: loop number 12 T-loop= 964.00000000000000
main_MD> interactions number 12 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46104 1.09192 2.16438
force_rgl> df(natom) 1.94893 0.44857 0.89792
2755.0000 -224.78444 -214.33376 10.45068 2.96861 -213.41387 957.50956
2760.0000 -224.35956 -213.03181 11.32775 2.92560 -214.29663 929.02504
2765.0000 -224.09818 -212.95497 11.14321 2.96018 -213.58694 949.62304
2770.0000 -225.81546 -214.12414 11.69131 2.92710 -214.26595 969.62143
2775.0000 -226.69746 -215.27256 11.42490 2.90721 -214.67419 948.83363
2780.0000 -226.27119 -213.99465 12.27654 2.93695 -214.06369 967.22127
2785.0000 -227.60955 -214.90078 12.70876 2.92886 -214.22987 964.25545
2790.0000 -226.58246 -215.45726 11.12520 2.83761 -216.10279 924.81398
2795.0000 -224.95428 -211.68113 13.27314 2.92318 -214.34629 968.82476
2800.0000 -224.15427 -212.36334 11.79093 3.05034 -211.73622 1047.02973
2805.0000 -227.21618 -214.06796 13.14821 2.97966 -213.18691 976.66722
2810.0000 -225.56411 -214.52827 11.03583 2.95504 -213.69229 971.85442
2815.0000 -226.40443 -214.51158 11.89286 2.93729 -214.05665 975.05765
2820.0000 -225.28692 -212.44188 12.84504 3.02438 -212.26898 1032.67713
2825.0000 -225.14207 -212.61055 12.53152 2.99112 -212.95186 988.38806
2830.0000 -226.15954 -213.19645 12.96309 2.98857 -213.00411 1001.26120
2835.0000 -225.15801 -213.84490 11.31311 2.96481 -213.49185 992.79004
2840.0000 -225.35535 -213.33369 12.02166 2.97693 -213.24306 1002.80557
2845.0000 -225.16849 -213.28736 11.88114 2.97570 -213.26826 1005.50463
2850.0000 -224.85126 -214.65970 10.19156 2.91939 -214.42420 960.64607
2855.0000 -227.10848 -214.17241 12.93607 2.92157 -214.37932 958.63718
2860.0000 -224.51259 -212.99926 11.51333 2.97313 -213.32107 1019.72584
2865.0000 -227.81450 -214.61189 13.20262 2.94926 -213.81101 965.05316
2870.0000 -227.88512 -216.15264 11.73248 2.92769 -214.25374 971.15080
2875.0000 -226.08785 -215.52552 10.56233 2.87194 -215.39806 917.82948
2880.0000 -225.11940 -214.30875 10.81066 2.86346 -215.57213 925.10083
2885.0000 -227.46937 -216.23550 11.23387 2.81641 -216.53805 904.09523
2890.0000 -225.10528 -213.67311 11.43217 2.89708 -214.88212 960.65418
2895.0000 -224.71959 -214.57550 10.14409 2.88795 -215.06945 933.60894
2900.0000 -227.69841 -215.97344 11.72498 2.86190 -215.60419 928.81994
2905.0000 -225.97819 -216.52752 9.45068 2.84000 -216.05371 895.24146
2910.0000 -227.08495 -214.69778 12.38717 2.90567 -214.70573 949.39905
2915.0000 -226.75145 -215.54508 11.20638 2.92818 -214.24380 965.84098
2920.0000 -224.09944 -212.13779 11.96164 2.96144 -213.56108 984.46468
2925.0000 -224.59051 -212.40539 12.18512 3.07597 -211.21008 1061.26821
2930.0000 -223.53481 -211.63979 11.89502 2.98955 -212.98407 1002.61152
2935.0000 -222.87015 -210.91067 11.95949 3.08214 -211.08341 1054.09814
2940.0000 -225.35375 -214.73787 10.61587 2.98143 -213.15070 997.39088
2945.0000 -225.95153 -214.79002 11.16150 2.94386 -213.92184 1005.02833
2950.0000 -225.97815 -214.10482 11.87333 2.88195 -215.19277 940.56234
2955.0000 -227.57293 -216.93351 10.63942 2.85402 -215.76593 903.83283
2960.0000 -225.20309 -215.68122 9.52187 2.83675 -216.12059 895.35018
2965.0000 -228.52403 -217.60542 10.91862 2.78233 -217.23756 876.38662
2970.0000 -226.87207 -216.53505 10.33702 2.79403 -216.99733 889.12171
2975.0000 -227.12640 -214.91412 12.21228 2.81585 -216.54951 890.88744
2980.0000 -225.52704 -214.05855 11.46849 2.93351 -214.13434 959.11276
2985.0000 -227.73208 -215.64348 12.08860 2.92361 -214.33755 983.08766
2990.0000 -227.23156 -215.28457 11.94699 2.81826 -216.49997 896.72191
2995.0000 -223.59188 -212.23816 11.35372 2.86543 -215.53183 924.19089
3000.0000 -225.74707 -213.77996 11.96711 2.95798 -213.63206 975.23937
FREEZING PROCESS: loop number 13 T-loop= 939.00000000000000
main_MD> interactions number 13 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75731 0.09952 -1.59203
force_rgl> df(natom) -0.40189 0.42438 -0.98420
3005.0000 -225.66417 -214.98754 10.67664 2.94258 -213.94807 951.00376
3010.0000 -227.04391 -216.89840 10.14551 2.82119 -216.43983 888.35604
3015.0000 -227.28797 -217.56381 9.72416 2.79456 -216.98657 891.23290
3020.0000 -227.33137 -216.67796 10.65342 2.81182 -216.63216 909.74557
3025.0000 -226.41983 -215.90666 10.51317 2.80478 -216.77679 907.33520
3030.0000 -227.04326 -217.21395 9.82930 2.82727 -216.31518 917.63449
3035.0000 -227.59997 -216.31180 11.28817 2.77812 -217.32391 900.84296
3040.0000 -226.04952 -215.60226 10.44727 2.85876 -215.66866 923.31673
3045.0000 -227.61176 -217.87508 9.73668 2.83471 -216.16246 925.15019
3050.0000 -227.21419 -215.64545 11.56874 2.80217 -216.83038 885.81841
3055.0000 -226.69548 -214.21741 12.47806 2.86533 -215.53387 935.47202
3060.0000 -225.95763 -214.80395 11.15367 2.93706 -214.06136 975.67003
3065.0000 -226.97870 -216.10036 10.87834 2.89848 -214.85337 937.19935
3070.0000 -225.98423 -213.95148 12.03275 2.86555 -215.52935 914.17208
3075.0000 -224.31952 -212.60608 11.71344 2.97061 -213.37283 1007.62513
3080.0000 -224.47027 -212.18348 12.28678 3.01047 -212.55467 1023.75067
3085.0000 -224.23714 -212.88906 11.34808 2.96413 -213.50579 989.05876
3090.0000 -227.01125 -214.84825 12.16300 2.91169 -214.58228 962.08158
3095.0000 -227.24596 -214.57109 12.67486 2.93732 -214.05611 980.19996
3100.0000 -226.18909 -215.06831 11.12077 2.93119 -214.18202 972.15797
3105.0000 -225.26410 -215.10462 10.15947 2.87180 -215.40095 940.09653
3110.0000 -227.24960 -216.42541 10.82420 2.88908 -215.04637 924.51768
3115.0000 -226.78753 -216.60418 10.18335 2.81543 -216.55809 905.05560
3120.0000 -226.52386 -215.02278 11.50108 2.87482 -215.33910 947.64500
3125.0000 -224.37337 -214.83967 9.53370 2.91938 -214.42432 930.91455
3130.0000 -225.82390 -214.18233 11.64157 2.86457 -215.54943 916.13507
3135.0000 -226.04392 -215.51232 10.53160 2.83478 -216.16091 909.56201
3140.0000 -227.05024 -215.93633 11.11391 2.81752 -216.51518 882.51816
3145.0000 -228.34012 -215.42008 12.92005 2.86184 -215.60539 923.16681
3150.0000 -225.94218 -215.46542 10.47676 2.86452 -215.55055 932.60576
3155.0000 -227.28298 -213.88476 13.39821 2.90561 -214.70700 936.30278
3160.0000 -225.77074 -214.71767 11.05307 2.91189 -214.57810 953.87541
3165.0000 -227.08019 -215.78252 11.29767 2.90688 -214.68095 957.25473
3170.0000 -226.29047 -215.15272 11.13775 2.87079 -215.42181 922.69702
3175.0000 -226.75530 -215.49910 11.25620 2.85061 -215.83595 922.96858
3180.0000 -227.18880 -215.55676 11.63203 2.82910 -216.27745 907.02153
3185.0000 -226.83200 -214.90726 11.92474 2.88484 -215.13331 927.92640
3190.0000 -226.82612 -213.77671 13.04941 2.90762 -214.66579 942.74036
3195.0000 -225.78650 -213.31571 12.47079 2.95650 -213.66252 978.91049
3200.0000 -225.14567 -215.00327 10.14240 2.90453 -214.72910 929.53390
3205.0000 -225.54820 -214.17872 11.36948 2.98686 -213.03923 989.87599
3210.0000 -225.24224 -213.39097 11.85127 2.97549 -213.27258 968.46354
3215.0000 -225.43301 -212.64900 12.78401 3.01289 -212.50482 1006.65313
3220.0000 -226.00274 -215.14865 10.85409 2.94590 -213.88003 973.56062
3225.0000 -228.19716 -216.60676 11.59040 2.90074 -214.80696 935.81999
3230.0000 -228.10430 -217.33265 10.77165 2.81025 -216.66439 893.69983
3235.0000 -226.92465 -213.85902 13.06563 2.90027 -214.81662 946.73357
3240.0000 -225.88904 -213.29028 12.59877 2.95592 -213.67440 1006.79590
3245.0000 -227.34273 -215.45815 11.88458 2.95084 -213.77854 967.43368
3250.0000 -225.78845 -213.72866 12.05979 2.92350 -214.33983 953.26719
FREEZING PROCESS: loop number 14 T-loop= 914.00000000000000
main_MD> interactions number 14 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.27408 -0.27556 -1.87196
force_rgl> df(natom) -0.77326 4.47759 -6.50062
3255.0000 -225.99834 -214.55000 11.44834 2.92385 -214.33268 956.50207
3260.0000 -227.88017 -217.82969 10.05047 2.88345 -215.16187 938.86048
3265.0000 -225.94378 -215.32827 10.61551 2.80988 -216.67214 896.14647
3270.0000 -226.88118 -216.41354 10.46764 2.83167 -216.22482 915.38953
3275.0000 -228.52701 -216.44651 12.08051 2.79827 -216.91030 906.08564
3280.0000 -226.17931 -215.29093 10.88839 2.87702 -215.29395 938.71661
3285.0000 -228.29692 -217.46961 10.82731 2.79412 -216.99559 880.42156
3290.0000 -227.55647 -216.23901 11.31746 2.81378 -216.59199 901.15009
3295.0000 -227.61516 -217.32997 10.28519 2.85139 -215.82006 931.69931
3300.0000 -225.74999 -213.88256 11.86743 2.85089 -215.83021 922.78256
3305.0000 -227.92809 -215.43153 12.49656 2.92028 -214.40593 947.03247
3310.0000 -226.89018 -216.91875 9.97142 2.82327 -216.39711 915.62762
3315.0000 -226.23149 -214.06183 12.16966 2.87674 -215.29956 931.51549
3320.0000 -227.18627 -216.46181 10.72446 2.87263 -215.38395 928.64851
3325.0000 -226.49550 -216.96905 9.52645 2.83181 -216.22183 888.90111
3330.0000 -228.45036 -218.12303 10.32733 2.79299 -217.01873 890.05161
3335.0000 -229.16039 -217.97356 11.18683 2.74966 -217.90823 853.07456
3340.0000 -227.11963 -216.79617 10.32345 2.75568 -217.78470 866.36564
3345.0000 -226.78262 -216.06628 10.71634 2.79850 -216.90569 893.23976
3350.0000 -227.67627 -217.33616 10.34011 2.81306 -216.60670 904.66589
3355.0000 -227.29841 -216.23128 11.06713 2.79636 -216.94959 884.13716
3360.0000 -227.53864 -217.26552 10.27312 2.78718 -217.13795 882.40136
3365.0000 -227.15810 -216.17888 10.97923 2.81938 -216.47715 919.78313
3370.0000 -227.31755 -216.69540 10.62215 2.90045 -214.81285 930.12803
3375.0000 -228.15463 -217.88183 10.27279 2.78302 -217.22342 871.29486
3380.0000 -228.40053 -218.91323 9.48730 2.65511 -219.84897 811.51401
3385.0000 -229.15385 -218.60699 10.54686 2.77162 -217.45747 882.34757
3390.0000 -227.98856 -216.87077 11.11779 2.75425 -217.81392 874.28816
3395.0000 -227.54890 -216.48996 11.05894 2.82134 -216.43690 896.06057
3400.0000 -228.38891 -217.95798 10.43093 2.79144 -217.05051 912.58428
3405.0000 -228.56737 -218.58107 9.98630 2.74756 -217.95139 857.89759
3410.0000 -228.49912 -216.82571 11.67342 2.77852 -217.31578 856.70992
3415.0000 -226.99740 -216.12250 10.87489 2.82056 -216.45289 916.51353
3420.0000 -227.70287 -216.64013 11.06274 2.82492 -216.36343 898.57153
3425.0000 -228.66416 -217.24863 11.41553 2.76095 -217.67637 868.36392
3430.0000 -227.28929 -216.40188 10.88740 2.80826 -216.70539 894.80765
3435.0000 -227.06958 -217.55732 9.51227 2.80456 -216.78123 893.57325
3440.0000 -228.72432 -217.07846 11.64586 2.77507 -217.38653 898.21846
3445.0000 -228.21581 -216.83854 11.37727 2.79481 -216.98147 899.72653
3450.0000 -226.85530 -216.12806 10.72725 2.82471 -216.36755 905.55123
3455.0000 -226.77928 -214.93709 11.84219 2.86619 -215.51611 949.05415
3460.0000 -224.89637 -212.53657 12.35980 2.98267 -213.12519 982.94726
3465.0000 -224.81051 -213.57096 11.23956 2.98054 -213.16886 982.71975
3470.0000 -226.62494 -213.89803 12.72691 3.01423 -212.47734 1030.97783
3475.0000 -226.69287 -214.95651 11.73637 2.92169 -214.37685 971.65392
3480.0000 -228.15246 -216.98419 11.16827 2.81819 -216.50154 911.74616
3485.0000 -227.00236 -214.96981 12.03254 2.85275 -215.79201 921.02553
3490.0000 -224.62733 -213.67851 10.94883 2.90749 -214.66851 959.65554
3495.0000 -228.35905 -218.20278 10.15627 2.85699 -215.70507 919.32394
3500.0000 -227.29507 -217.25183 10.04324 2.78167 -217.25121 878.75807
FREEZING PROCESS: loop number 15 T-loop= 889.00000000000000
main_MD> interactions number 15 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32672 0.81258 2.39954
force_rgl> df(natom) -1.17081 -0.66005 -1.99422
3505.0000 -228.17070 -218.94263 9.22807 2.73073 -218.29669 840.36786
3510.0000 -228.79913 -216.64699 12.15214 2.74026 -218.10112 855.07019
3515.0000 -226.42799 -215.68206 10.74594 2.83376 -216.18183 908.57641
3520.0000 -226.84314 -215.96553 10.87762 2.84107 -216.03180 887.02117
3525.0000 -227.04720 -215.31230 11.73490 2.85461 -215.75396 924.31461
3530.0000 -225.18208 -214.35341 10.82866 2.92304 -214.34924 946.08962
3535.0000 -226.25915 -216.77178 9.48737 2.88691 -215.09098 942.78110
3540.0000 -226.02628 -216.89098 9.13531 2.81053 -216.65867 902.49400
3545.0000 -229.06658 -219.43749 9.62909 2.74679 -217.96707 857.98776
3550.0000 -229.30929 -219.48753 9.82176 2.71202 -218.68072 853.17083
3555.0000 -227.58691 -217.34560 10.24131 2.70201 -218.88631 833.09464
3560.0000 -228.39376 -217.25058 11.14318 2.82445 -216.37305 905.69767
3565.0000 -228.77273 -217.03149 11.74124 2.78247 -217.23463 891.97136
3570.0000 -227.08385 -216.98864 10.09521 2.79197 -217.03964 883.63353
3575.0000 -228.84752 -219.08127 9.76625 2.78117 -217.26129 876.74678
3580.0000 -229.81037 -218.69323 11.11714 2.69534 -219.02324 826.76178
3585.0000 -227.36750 -216.03288 11.33462 2.78584 -217.16561 880.11500
3590.0000 -228.11065 -216.57443 11.53621 2.84219 -216.00892 896.26353
3595.0000 -227.11812 -216.46123 10.65689 2.83628 -216.13025 915.38161
3600.0000 -226.72683 -216.28658 10.44025 2.83192 -216.21967 912.85190
3605.0000 -227.91252 -216.11699 11.79553 2.85520 -215.74171 923.20112
3610.0000 -225.48352 -214.93026 10.55326 2.87677 -215.29905 930.35791
3615.0000 -228.00803 -217.54060 10.46743 2.86202 -215.60172 928.95014
3620.0000 -229.11161 -217.46284 11.64877 2.75063 -217.88820 870.46463
3625.0000 -227.29806 -216.69433 10.60373 2.75537 -217.79103 870.51574
3630.0000 -227.01311 -214.50123 12.51189 2.83801 -216.09473 907.14311
3635.0000 -226.23517 -214.60344 11.63173 2.92520 -214.30487 967.50951
3640.0000 -225.61704 -214.93571 10.68133 2.86647 -215.51039 938.52702
3645.0000 -226.26237 -215.48554 10.77683 2.89326 -214.96050 942.55100
3650.0000 -225.03341 -216.19740 8.83602 2.88212 -215.18924 920.08420
3655.0000 -227.89470 -217.37725 10.51745 2.80860 -216.69842 894.31983
3660.0000 -227.04142 -216.73010 10.31132 2.80387 -216.79541 886.33738
3665.0000 -227.98317 -217.66528 10.31788 2.78347 -217.21416 872.27651
3670.0000 -228.09157 -216.88492 11.20665 2.78571 -217.16821 894.85986
3675.0000 -227.13557 -215.83571 11.29986 2.83731 -216.10892 926.41299
3680.0000 -226.44053 -216.51608 9.92445 2.81243 -216.61981 907.12369
3685.0000 -225.56717 -215.34925 10.21792 2.83175 -216.22304 915.80569
3690.0000 -225.45985 -214.94633 10.51353 2.91860 -214.44046 969.40042
3695.0000 -226.00430 -215.46222 10.54208 2.88179 -215.19594 923.42650
3700.0000 -226.49467 -213.65995 12.83472 2.93422 -214.11979 974.21042
3705.0000 -226.44492 -214.54629 11.89863 2.89907 -214.84130 966.08933
3710.0000 -225.77392 -214.07967 11.69426 2.89000 -215.02737 942.98927
3715.0000 -226.73777 -215.43269 11.30508 2.85895 -215.66486 893.06012
3720.0000 -228.23413 -216.34425 11.88988 2.84578 -215.93519 926.19649
3725.0000 -225.72593 -216.21253 9.51339 2.83053 -216.24822 892.70049
3730.0000 -230.34697 -218.18654 12.16044 2.78944 -217.09170 894.43326
3735.0000 -227.21941 -216.89678 10.32263 2.74937 -217.91423 862.94396
3740.0000 -226.53290 -216.43430 10.09860 2.84149 -216.02316 907.54041
3745.0000 -226.47722 -214.66748 11.80974 2.83352 -216.18676 903.15708
3750.0000 -226.74616 -216.49282 10.25334 2.85788 -215.68681 919.84914
FREEZING PROCESS: loop number 16 T-loop= 864.00000000000000
main_MD> interactions number 16 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26844 -0.36188 -1.04159
force_rgl> df(natom) 6.34203 4.70903 0.18087
3755.0000 -228.49036 -219.17635 9.31401 2.77949 -217.29592 861.79068
3760.0000 -227.83593 -216.93320 10.90273 2.73545 -218.19978 862.54271
3765.0000 -226.30044 -216.08044 10.22000 2.73841 -218.13907 862.34215
3770.0000 -227.01691 -214.98685 12.03005 2.85555 -215.73466 941.56895
3775.0000 -227.92598 -218.83224 9.09375 2.79994 -216.87615 887.12966
3780.0000 -225.58081 -214.74630 10.83451 2.79642 -216.94826 868.50575
3785.0000 -225.89736 -214.83223 11.06513 2.90226 -214.77581 951.06708
3790.0000 -225.85091 -216.70137 9.14954 2.86139 -215.61466 907.41411
3795.0000 -227.04083 -215.52308 11.51776 2.85961 -215.65128 922.50353
3800.0000 -226.20177 -214.95444 11.24733 2.84282 -215.99598 912.09714
3805.0000 -227.31305 -215.97568 11.33737 2.86372 -215.56681 920.04071
3810.0000 -226.70724 -217.07545 9.63179 2.84091 -216.03521 909.45804
3815.0000 -227.14252 -216.94261 10.19991 2.77436 -217.40122 864.28230
3820.0000 -227.26098 -217.10084 10.16013 2.76344 -217.62535 846.52472
3825.0000 -229.00995 -219.76881 9.24113 2.74616 -217.98006 851.28617
3830.0000 -226.67190 -215.80198 10.86992 2.73436 -218.22224 852.58657
3835.0000 -227.31697 -217.16554 10.15143 2.83212 -216.21556 900.74607
3840.0000 -226.93594 -215.20935 11.72658 2.78985 -217.08317 889.14543
3845.0000 -228.49515 -214.48998 14.00516 2.90993 -214.61833 962.43504
3850.0000 -227.60920 -216.03307 11.57614 2.87781 -215.27776 942.15316
3855.0000 -229.79856 -218.40395 11.39462 2.74114 -218.08314 864.03329
3860.0000 -229.57113 -218.74210 10.82903 2.72256 -218.46443 869.15917
3865.0000 -225.83486 -215.18473 10.65013 2.79357 -217.00694 898.72527
3870.0000 -227.92193 -219.06111 8.86081 2.75680 -217.76156 868.32747
3875.0000 -227.62268 -217.66500 9.95768 2.71706 -218.57742 823.55354
3880.0000 -227.87574 -217.69734 10.17840 2.81806 -216.50421 891.88129
3885.0000 -228.09569 -217.65370 10.44199 2.70979 -218.72656 827.09437
3890.0000 -228.54125 -218.19933 10.34192 2.76285 -217.63754 879.76971
3895.0000 -229.16893 -217.41111 11.75783 2.76616 -217.56942 878.55639
3900.0000 -227.82699 -217.57044 10.25655 2.68535 -219.22828 827.07917
3905.0000 -228.34804 -217.60981 10.73823 2.78507 -217.18124 913.31036
3910.0000 -228.49350 -217.79412 10.69937 2.77392 -217.41019 859.76845
3915.0000 -227.68938 -217.57753 10.11185 2.75979 -217.70021 879.49057
3920.0000 -228.37600 -216.00156 12.37443 2.82199 -216.42351 907.61640
3925.0000 -228.30732 -217.11871 11.18861 2.80257 -216.82205 903.81794
3930.0000 -228.56036 -218.44337 10.11699 2.77552 -217.37733 872.49996
3935.0000 -228.21205 -217.39832 10.81373 2.73577 -218.19338 832.07531
3940.0000 -228.65435 -217.14511 11.50924 2.79875 -216.90055 909.10034
3945.0000 -228.50175 -219.12717 9.37458 2.76807 -217.53021 883.16924
3950.0000 -226.79695 -218.05091 8.74604 2.71098 -218.70225 832.70083
3955.0000 -228.21684 -215.64328 12.57356 2.78916 -217.09730 855.16044
3960.0000 -228.06683 -216.31996 11.74687 2.83268 -216.20397 908.69957
3965.0000 -227.12953 -216.34440 10.78513 2.84592 -215.93234 921.24812
3970.0000 -228.63064 -217.25123 11.37941 2.82476 -216.36654 912.28693
3975.0000 -229.08611 -218.16504 10.92107 2.67763 -219.38673 822.72590
3980.0000 -227.60936 -216.54533 11.06404 2.76534 -217.58634 855.83585
3985.0000 -226.87649 -216.49513 10.38136 2.79768 -216.92255 878.27823
3990.0000 -228.98290 -217.56489 11.41801 2.77728 -217.34117 906.66440
3995.0000 -228.31286 -216.40293 11.90993 2.77031 -217.48437 893.42003
4000.0000 -227.73123 -216.83113 10.90010 2.84685 -215.91317 914.24236
FREEZING PROCESS: loop number 17 T-loop= 839.00000000000000
main_MD> interactions number 17 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68208 0.67207 -0.06484
force_rgl> df(natom) -1.20054 0.48153 3.66990
4005.0000 -227.86396 -217.89510 9.96886 2.77371 -217.41460 850.77658
4010.0000 -227.60122 -219.16353 8.43769 2.72768 -218.35929 830.02870
4015.0000 -229.30956 -218.39464 10.91491 2.68780 -219.17798 799.72121
4020.0000 -227.53515 -217.94365 9.59151 2.76405 -217.61273 876.70696
4025.0000 -226.75118 -215.38944 11.36174 2.82595 -216.34217 892.58888
4030.0000 -228.52340 -217.19354 11.32986 2.77161 -217.45761 847.92719
4035.0000 -226.78800 -217.29353 9.49447 2.78269 -217.23008 894.73354
4040.0000 -227.48805 -218.06661 9.42144 2.77136 -217.46279 861.55286
4045.0000 -225.06214 -213.86199 11.20015 2.86635 -215.51285 898.34979
4050.0000 -226.98033 -215.60973 11.37061 2.85867 -215.67060 917.94553
4055.0000 -227.75466 -217.19277 10.56189 2.77351 -217.41869 852.39336
4060.0000 -228.60450 -219.27991 9.32459 2.78307 -217.22230 880.48040
4065.0000 -227.85276 -219.16303 8.68973 2.70093 -218.90839 829.85035
4070.0000 -226.99808 -216.62527 10.37281 2.76691 -217.55411 851.20116
4075.0000 -228.28721 -217.71315 10.57406 2.72469 -218.42074 825.62261
4080.0000 -228.85637 -219.97261 8.88376 2.67639 -219.41229 790.63681
4085.0000 -229.58533 -219.62287 9.96246 2.58944 -221.19691 758.84978
4090.0000 -231.07177 -221.17948 9.89229 2.68018 -219.33446 818.89597
4095.0000 -229.67519 -219.87346 9.80174 2.61354 -220.70225 793.81293
4100.0000 -228.79866 -218.75406 10.04460 2.63511 -220.25953 807.63292
4105.0000 -228.25594 -218.36299 9.89295 2.71233 -218.67437 816.88274
4110.0000 -228.79671 -219.26207 9.53464 2.70497 -218.82563 830.35148
4115.0000 -231.15817 -220.92327 10.23490 2.66810 -219.58238 818.05252
4120.0000 -228.50736 -218.69779 9.80957 2.64852 -219.98418 813.74035
4125.0000 -228.31164 -216.95762 11.35402 2.76086 -217.67821 878.27538
4130.0000 -229.12058 -218.70136 10.41923 2.76299 -217.63457 876.54378
4135.0000 -229.77157 -218.79932 10.97225 2.71584 -218.60234 843.10348
4140.0000 -228.02814 -218.77128 9.25685 2.71280 -218.66472 825.58585
4145.0000 -228.49783 -217.22966 11.26817 2.76441 -217.60538 870.19049
4150.0000 -229.28730 -218.73146 10.55584 2.76434 -217.60675 865.25958
4155.0000 -228.95116 -219.10272 9.84843 2.72942 -218.32372 841.24768
4160.0000 -227.21729 -217.62892 9.58837 2.70462 -218.83278 838.92793
4165.0000 -226.32863 -214.45598 11.87265 2.79621 -216.95272 885.50695
4170.0000 -227.38277 -216.70700 10.67576 2.85479 -215.75025 920.93895
4175.0000 -229.96872 -219.13229 10.83643 2.71144 -218.69279 833.05897
4180.0000 -229.14740 -219.02854 10.11887 2.68114 -219.31458 809.46990
4185.0000 -229.42598 -218.69015 10.73583 2.72541 -218.40600 823.22418
4190.0000 -229.12201 -218.52361 10.59840 2.71994 -218.51828 841.55475
4195.0000 -228.77681 -216.92349 11.85332 2.75494 -217.79971 850.65714
4200.0000 -228.80485 -218.07519 10.72965 2.75588 -217.78060 882.40428
4205.0000 -228.45537 -218.69701 9.75837 2.71425 -218.63508 845.36341
4210.0000 -228.29047 -218.62751 9.66296 2.74737 -217.95513 865.55742
4215.0000 -228.64008 -219.43256 9.20752 2.67622 -219.41574 825.96134
4220.0000 -230.07110 -219.89923 10.17187 2.66690 -219.60706 824.48603
4225.0000 -229.64714 -220.22400 9.42314 2.60501 -220.87741 775.31208
4230.0000 -231.24448 -221.22321 10.02127 2.59201 -221.14429 786.29800
4235.0000 -229.89242 -221.05542 8.83700 2.57565 -221.48006 749.82587
4240.0000 -227.92399 -217.99615 9.92783 2.65460 -219.85956 769.52374
4245.0000 -226.36190 -215.98192 10.37998 2.78492 -217.18443 881.58598
4250.0000 -229.10556 -218.37387 10.73169 2.78351 -217.21335 875.96917
FREEZING PROCESS: loop number 18 T-loop= 814.00000000000000
main_MD> interactions number 18 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.37367 0.61542 -2.37210
force_rgl> df(natom) 0.12207 0.42939 0.65291
4255.0000 -229.92034 -220.23899 9.68135 2.66639 -219.61743 816.79578
4260.0000 -230.05790 -220.90756 9.15035 2.60741 -220.82819 801.98740
4265.0000 -229.53434 -221.76963 7.76470 2.59550 -221.07261 765.07300
4270.0000 -230.94268 -222.06217 8.88051 2.53352 -222.34488 717.70871
4275.0000 -229.79337 -220.31255 9.48082 2.57409 -221.51206 766.99062
4280.0000 -230.86650 -221.24202 9.62448 2.58816 -221.22324 773.79868
4285.0000 -229.51333 -220.12275 9.39058 2.63047 -220.35488 785.98385
4290.0000 -228.32383 -219.52036 8.80348 2.66223 -219.70279 797.59766
4295.0000 -230.58780 -221.25425 9.33356 2.57864 -221.41870 748.94569
4300.0000 -228.10206 -221.13682 6.96524 2.60212 -220.93676 788.25291
4305.0000 -231.12432 -221.99464 9.12967 2.58593 -221.26896 725.99743
4310.0000 -229.27450 -219.43445 9.84005 2.64206 -220.11691 777.34200
4315.0000 -229.30188 -218.96039 10.34149 2.70024 -218.92270 829.46951
4320.0000 -230.82784 -220.36473 10.46311 2.67527 -219.43517 822.30245
4325.0000 -230.91558 -221.86749 9.04808 2.58906 -221.20475 751.80602
4330.0000 -229.45478 -220.57715 8.87763 2.60288 -220.92110 782.61631
4335.0000 -229.85312 -219.48800 10.36512 2.63401 -220.28205 786.02798
4340.0000 -229.27105 -219.01146 10.25959 2.71742 -218.56994 832.63116
4345.0000 -228.91020 -218.67621 10.23399 2.67559 -219.42865 820.75068
4350.0000 -229.61509 -220.26315 9.35194 2.66624 -219.62053 813.36326
4355.0000 -228.09874 -217.14526 10.95348 2.70407 -218.84409 839.09991
4360.0000 -227.05564 -215.81457 11.24107 2.81839 -216.49742 915.41766
4365.0000 -227.86703 -217.19823 10.66881 2.80370 -216.79883 891.87669
4370.0000 -228.28650 -217.13397 11.15253 2.80255 -216.82261 886.35199
4375.0000 -228.06953 -217.76623 10.30330 2.79229 -217.03319 879.72704
4380.0000 -230.81317 -221.19055 9.62262 2.65354 -219.88115 828.82770
4385.0000 -230.71815 -222.28817 8.42998 2.55443 -221.91569 760.11581
4390.0000 -228.85373 -219.92824 8.92549 2.58689 -221.24939 742.79216
4395.0000 -230.29334 -219.55581 10.73754 2.67877 -219.36339 816.57889
4400.0000 -228.51360 -219.23201 9.28159 2.67535 -219.43344 808.51214
4405.0000 -231.20625 -220.06647 11.13978 2.66194 -219.70885 820.32628
4410.0000 -229.85692 -219.19257 10.66435 2.63721 -220.21652 772.10478
4415.0000 -228.45129 -218.49953 9.95176 2.74113 -218.08335 866.11797
4420.0000 -229.65535 -221.24843 8.40692 2.68469 -219.24187 826.75209
4425.0000 -227.36153 -218.74727 8.61426 2.62695 -220.42706 773.58390
4430.0000 -229.96298 -220.27468 9.68831 2.67344 -219.47281 806.53156
4435.0000 -227.76637 -219.47604 8.29033 2.66226 -219.70222 791.76133
4440.0000 -230.34267 -221.32495 9.01772 2.62349 -220.49796 746.92855
4445.0000 -231.17620 -221.53752 9.63868 2.54145 -222.18198 741.36708
4450.0000 -228.47826 -218.64244 9.83581 2.66591 -219.62727 815.36710
4455.0000 -227.22929 -216.88277 10.34652 2.76300 -217.63439 851.43895
4460.0000 -229.24337 -217.50291 11.74046 2.75773 -217.74251 867.79194
4465.0000 -227.97573 -218.14490 9.83083 2.72435 -218.42779 830.35773
4470.0000 -227.05059 -217.28904 9.76154 2.75232 -217.85368 830.00737
4475.0000 -227.77275 -216.95855 10.81420 2.74376 -218.02921 844.31218
4480.0000 -230.05916 -218.86480 11.19436 2.71610 -218.59703 844.73944
4485.0000 -228.44735 -218.97191 9.47544 2.68899 -219.15348 824.57518
4490.0000 -229.47637 -220.36635 9.11002 2.63654 -220.23009 787.86909
4495.0000 -229.86426 -220.19745 9.66680 2.59624 -221.05732 743.10323
4500.0000 -228.05354 -217.86907 10.18448 2.66861 -219.57190 804.19982
FREEZING PROCESS: loop number 19 T-loop= 789.00000000000000
main_MD> interactions number 19 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.68155 2.62694 -0.09192
force_rgl> df(natom) 1.82195 -1.02544 -1.20756
4505.0000 -230.25367 -220.57062 9.68305 2.67764 -219.38654 816.35048
4510.0000 -229.39610 -221.66415 7.73195 2.60638 -220.84921 759.61762
4515.0000 -230.55214 -221.16670 9.38545 2.58050 -221.38061 743.92460
4520.0000 -230.42865 -221.60686 8.82179 2.56259 -221.74806 732.72564
4525.0000 -230.03897 -221.25200 8.78697 2.57938 -221.40340 759.81919
4530.0000 -230.15790 -218.87355 11.28435 2.59209 -221.14257 735.13928
4535.0000 -231.01395 -220.86065 10.15330 2.65833 -219.78292 813.36123
4540.0000 -228.91533 -221.22520 7.69014 2.61781 -220.61471 763.39205
4545.0000 -229.55452 -219.09638 10.45814 2.61928 -220.58444 769.62023
4550.0000 -231.03349 -221.50571 9.52779 2.58686 -221.25004 782.17165
4555.0000 -231.47152 -222.30346 9.16806 2.53720 -222.26922 723.64729
4560.0000 -229.00230 -221.54779 7.45451 2.52798 -222.45848 713.71843
4565.0000 -228.88962 -219.26177 9.62785 2.63858 -220.18837 779.53956
4570.0000 -229.06355 -219.71498 9.34857 2.72794 -218.35399 828.41519
4575.0000 -229.57273 -219.31780 10.25493 2.62860 -220.39326 783.56727
4580.0000 -228.56858 -217.04146 11.52712 2.73333 -218.24349 851.56546
4585.0000 -228.54248 -219.28853 9.25395 2.72970 -218.31794 846.25721
4590.0000 -229.96130 -219.98006 9.98124 2.64277 -220.10237 804.36101
4595.0000 -229.92396 -221.72736 8.19660 2.59015 -221.18246 773.90988
4600.0000 -230.27724 -221.19796 9.07929 2.58571 -221.27366 740.34227
4605.0000 -230.98448 -222.17502 8.80946 2.51624 -222.69957 708.11790
4610.0000 -228.20048 -219.48215 8.71833 2.60191 -220.94111 757.82550
4615.0000 -229.47227 -220.89894 8.57333 2.59367 -221.11017 765.64219
4620.0000 -230.63607 -220.24038 10.39569 2.63826 -220.19487 814.59167
4625.0000 -231.40042 -221.20748 10.19294 2.61758 -220.61942 797.02139
4630.0000 -230.54436 -220.64616 9.89820 2.59749 -221.03179 769.17483
4635.0000 -229.96229 -221.06049 8.90180 2.64329 -220.09170 800.02115
4640.0000 -227.92587 -218.08543 9.84043 2.69890 -218.95011 830.50430
4645.0000 -230.24474 -219.97941 10.26533 2.69903 -218.94737 835.11080
4650.0000 -230.72569 -221.55972 9.16597 2.60155 -220.94846 753.72342
4655.0000 -229.12570 -221.52066 7.60504 2.56336 -221.73232 742.06274
4660.0000 -230.74717 -221.04978 9.69738 2.58466 -221.29507 774.65257
4665.0000 -231.25192 -222.25639 8.99553 2.58443 -221.29988 757.13432
4670.0000 -232.22686 -223.80969 8.41717 2.57391 -221.51578 784.96763
4675.0000 -231.14354 -222.89665 8.24689 2.49157 -223.20594 714.63795
4680.0000 -232.19380 -223.42000 8.77380 2.50907 -222.84684 720.86171
4685.0000 -230.33454 -222.46257 7.87196 2.54083 -222.19476 720.44947
4690.0000 -229.78967 -220.81841 8.97126 2.53681 -222.27726 720.15140
4695.0000 -230.15384 -219.67751 10.47632 2.64789 -219.99722 784.77057
4700.0000 -230.17207 -220.47233 9.69974 2.65867 -219.77591 844.70750
4705.0000 -230.87106 -221.95596 8.91511 2.58438 -221.30082 769.83233
4710.0000 -230.02891 -221.58978 8.43914 2.58801 -221.22636 765.30556
4715.0000 -231.00512 -221.07802 9.92711 2.59616 -221.05914 766.66837
4720.0000 -229.20978 -218.90699 10.30279 2.64536 -220.04907 790.44830
4725.0000 -227.49440 -217.89667 9.59774 2.78315 -217.22064 870.69855
4730.0000 -230.14348 -220.83566 9.30781 2.62096 -220.55006 798.41603
4735.0000 -230.45299 -222.26709 8.18590 2.53498 -222.31479 756.20351
4740.0000 -231.60028 -223.22234 8.37794 2.50129 -223.00638 724.77381
4745.0000 -230.21294 -221.05159 9.16135 2.53025 -222.41191 725.20264
4750.0000 -231.72946 -222.61797 9.11149 2.57685 -221.45546 750.38639
FREEZING PROCESS: loop number 20 T-loop= 764.00000000000000
main_MD> interactions number 20 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.31144 6.49100 -4.53728
force_rgl> df(natom) 1.31169 0.21959 -1.13666
4755.0000 -231.35517 -223.23639 8.11877 2.55196 -221.96627 717.91207
4760.0000 -229.96268 -221.46182 8.50086 2.51168 -222.79326 723.02944
4765.0000 -229.59887 -220.58621 9.01266 2.64491 -220.05830 792.83302
4770.0000 -230.36705 -220.53980 9.82725 2.66042 -219.73994 799.48868
4775.0000 -230.79361 -220.48650 10.30711 2.66494 -219.64731 814.58029
4780.0000 -230.69766 -220.87771 9.81994 2.59547 -221.07331 770.66444
4785.0000 -231.20681 -221.38603 9.82079 2.59030 -221.17943 765.61595
4790.0000 -230.67310 -220.83527 9.83783 2.60858 -220.80403 783.39172
4795.0000 -230.43858 -221.04339 9.39519 2.59134 -221.15805 768.52305
4800.0000 -229.60208 -219.54042 10.06166 2.65004 -219.95309 822.64301
4805.0000 -230.43135 -220.79003 9.64132 2.65953 -219.75820 809.25639
4810.0000 -228.72146 -219.71008 9.01138 2.60178 -220.94376 762.57209
4815.0000 -231.58993 -221.27260 10.31733 2.59556 -221.07130 758.52343
4820.0000 -230.09059 -221.37102 8.71958 2.56396 -221.72002 740.29940
4825.0000 -231.42171 -221.46686 9.95485 2.59082 -221.16858 766.26345
4830.0000 -231.65928 -223.42728 8.23200 2.54774 -222.05305 749.28229
4835.0000 -230.49910 -220.32502 10.17408 2.58035 -221.38367 768.92780
4840.0000 -227.87982 -218.36272 9.51711 2.66659 -219.61332 814.58633
4845.0000 -228.36371 -219.17998 9.18373 2.71055 -218.71096 850.51379
4850.0000 -230.56980 -222.06569 8.50412 2.60835 -220.80893 787.29562
4855.0000 -230.66713 -221.44653 9.22060 2.53370 -222.34122 727.90036
4860.0000 -229.78048 -220.06249 9.71799 2.60579 -220.86146 763.70680
4865.0000 -229.53112 -219.66046 9.87066 2.63014 -220.36165 779.88534
4870.0000 -229.79385 -220.66998 9.12387 2.60449 -220.88812 753.97592
4875.0000 -230.78041 -220.58402 10.19640 2.58292 -221.33076 767.64123
4880.0000 -229.11486 -222.89273 6.22213 2.52978 -222.42165 723.60351
4885.0000 -230.04674 -220.83167 9.21506 2.56597 -221.67884 736.98200
4890.0000 -229.77081 -220.57080 9.20001 2.59398 -221.10378 780.71142
4895.0000 -229.74049 -220.77680 8.96369 2.63089 -220.34617 816.67358
4900.0000 -230.72094 -221.76658 8.95436 2.57722 -221.44790 762.94135
4905.0000 -230.21789 -221.71265 8.50524 2.57409 -221.51213 734.66186
4910.0000 -229.88198 -220.34205 9.53993 2.55914 -221.81897 745.36357
4915.0000 -228.90440 -219.92619 8.97821 2.60972 -220.78071 775.26019
4920.0000 -229.24382 -219.74705 9.49677 2.68640 -219.20681 834.13903
4925.0000 -229.78551 -219.32771 10.45780 2.70861 -218.75074 816.26743
4930.0000 -229.29570 -217.98777 11.30794 2.71207 -218.67979 823.18793
4935.0000 -229.85668 -220.27247 9.58421 2.72157 -218.48482 843.86995
4940.0000 -231.16740 -221.72083 9.44656 2.58559 -221.27609 771.71009
4945.0000 -231.60201 -222.67919 8.92282 2.53159 -222.38450 736.15753
4950.0000 -229.21372 -219.34699 9.86673 2.61243 -220.72508 774.40441
4955.0000 -228.94629 -220.45701 8.48929 2.62728 -220.42026 754.97746
4960.0000 -230.05322 -221.09716 8.95606 2.57999 -221.39103 756.55274
4965.0000 -230.41099 -221.24336 9.16762 2.61730 -220.62522 788.83496
4970.0000 -232.31265 -223.74915 8.56351 2.49170 -223.20321 718.62750
4975.0000 -231.98328 -224.19720 7.78608 2.46555 -223.74014 689.65455
4980.0000 -232.61313 -222.30717 10.30595 2.50081 -223.01628 710.11523
4985.0000 -230.22064 -221.59931 8.62133 2.59061 -221.17292 742.03496
4990.0000 -229.91071 -220.49487 9.41584 2.61169 -220.74026 791.97648
4995.0000 -228.60406 -218.06101 10.54305 2.70223 -218.88187 836.43769
5000.0000 -227.94409 -217.94556 9.99853 2.72434 -218.42803 812.77796
FREEZING PROCESS: loop number 21 T-loop= 739.00000000000000
main_MD> interactions number 21 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25965 -1.69476 -1.51763
force_rgl> df(natom) 0.42982 0.71415 2.33373
5005.0000 -230.41306 -221.65970 8.75336 2.67000 -219.54333 821.37185
5010.0000 -231.28597 -221.08872 10.19725 2.56514 -221.69576 749.99682
5015.0000 -230.67875 -222.15776 8.52099 2.58154 -221.35921 753.60335
5020.0000 -230.24533 -221.22102 9.02430 2.53631 -222.28762 727.90610
5025.0000 -230.13054 -221.14122 8.98932 2.54000 -222.21181 743.94935
5030.0000 -232.40382 -223.03127 9.37255 2.56200 -221.76028 744.58167
5035.0000 -230.70321 -221.58738 9.11583 2.49098 -223.21808 711.26560
5040.0000 -231.21663 -222.23088 8.98575 2.52374 -222.54557 747.91855
5045.0000 -232.16872 -223.11910 9.04963 2.48367 -223.36814 709.94087
5050.0000 -231.69853 -221.87216 9.82637 2.55799 -221.84247 767.03557
5055.0000 -230.82336 -221.24661 9.57674 2.56815 -221.63393 747.50874
5060.0000 -230.50922 -222.27313 8.23610 2.57667 -221.45916 759.57578
5065.0000 -230.79277 -223.05043 7.74234 2.53277 -222.36021 730.65013
5070.0000 -231.05650 -223.28357 7.77293 2.51576 -222.70932 715.74994
5075.0000 -232.45227 -223.93044 8.52184 2.47868 -223.47057 692.87330
5080.0000 -230.76068 -222.41923 8.34145 2.54531 -222.10284 710.00375
5085.0000 -230.96447 -222.11650 8.84797 2.56691 -221.65947 732.18552
5090.0000 -231.11471 -221.55388 9.56082 2.57426 -221.50849 750.71986
5095.0000 -229.46309 -220.23746 9.22563 2.59636 -221.05499 747.75505
5100.0000 -231.10194 -222.61923 8.48271 2.59577 -221.06712 751.32914
5105.0000 -232.50938 -222.73069 9.77869 2.52279 -222.56507 713.78296
5110.0000 -230.74251 -222.51014 8.23236 2.53811 -222.25062 740.22141
5115.0000 -230.52156 -222.52372 7.99784 2.53276 -222.36037 725.14850
5120.0000 -230.68425 -221.43662 9.24764 2.56585 -221.68113 746.76971
5125.0000 -232.24878 -223.02221 9.22657 2.51795 -222.66438 705.45360
5130.0000 -231.59561 -221.90760 9.68800 2.51752 -222.67334 729.71215
5135.0000 -231.48324 -223.21518 8.26805 2.52682 -222.48231 719.43186
5140.0000 -230.10641 -222.42820 7.67821 2.51799 -222.66368 711.01248
5145.0000 -230.69857 -222.22274 8.47582 2.53822 -222.24840 732.28945
5150.0000 -229.75710 -220.55689 9.20021 2.58548 -221.27818 749.86104
5155.0000 -231.28415 -221.95930 9.32485 2.58974 -221.19090 792.57910
5160.0000 -231.81082 -222.96383 8.84699 2.53817 -222.24933 743.41937
5165.0000 -230.59585 -220.73632 9.85953 2.53207 -222.37460 734.88908
5170.0000 -229.74461 -221.23072 8.51389 2.59217 -221.14100 773.63304
5175.0000 -229.98886 -222.10040 7.88845 2.55525 -221.89882 739.58333
5180.0000 -232.78073 -221.38145 11.39929 2.56453 -221.70827 760.73294
5185.0000 -229.84908 -221.13106 8.71801 2.58254 -221.33856 744.98908
5190.0000 -229.88049 -221.09665 8.78384 2.58175 -221.35494 729.31727
5195.0000 -230.52676 -222.94238 7.58438 2.53435 -222.32781 711.21663
5200.0000 -232.00524 -222.95475 9.05049 2.53320 -222.35135 731.69122
5205.0000 -231.15673 -222.10401 9.05272 2.51626 -222.69911 751.64437
5210.0000 -231.28456 -221.79620 9.48837 2.53986 -222.21465 744.39352
5215.0000 -231.33603 -220.35734 10.97869 2.57844 -221.42282 762.69459
5220.0000 -229.88276 -220.55623 9.32653 2.58953 -221.19511 760.43621
5225.0000 -229.36398 -220.38876 8.97522 2.62781 -220.40943 767.10406
5230.0000 -230.37790 -221.25184 9.12606 2.57649 -221.46286 756.72656
5235.0000 -230.17342 -221.01505 9.15836 2.56942 -221.60786 737.39610
5240.0000 -229.86216 -219.74215 10.12001 2.61874 -220.59554 783.69934
5245.0000 -230.39201 -222.61237 7.77964 2.58394 -221.30998 784.49984
5250.0000 -229.30230 -219.87939 9.42290 2.54556 -222.09779 753.01144
FREEZING PROCESS: loop number 22 T-loop= 714.00000000000000
main_MD> interactions number 22 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.10986 1.84014 -1.45925
force_rgl> df(natom) -1.35738 5.33641 5.01900
5255.0000 -231.30819 -222.88917 8.41901 2.57038 -221.58820 774.27778
5260.0000 -231.39161 -223.42381 7.96780 2.51275 -222.77112 702.93397
5265.0000 -232.62727 -224.45582 8.17145 2.45637 -223.92860 670.02980
5270.0000 -231.65628 -224.99807 6.65821 2.43881 -224.28898 686.36437
5275.0000 -232.84007 -224.67769 8.16237 2.41744 -224.72755 663.68690
5280.0000 -230.38202 -222.67392 7.70810 2.45338 -223.98985 676.81609
5285.0000 -229.89235 -221.99112 7.90123 2.53539 -222.30655 741.58267
5290.0000 -232.34300 -224.00393 8.33906 2.46917 -223.66582 691.17071
5295.0000 -232.18531 -225.23869 6.94662 2.42235 -224.62683 659.29683
5300.0000 -232.23329 -223.93997 8.29332 2.42406 -224.59164 676.49197
5305.0000 -232.05011 -224.18527 7.86484 2.44736 -224.11347 680.42478
5310.0000 -233.46064 -225.08547 8.37517 2.43383 -224.39115 653.91614
5315.0000 -232.32257 -222.98464 9.33793 2.44351 -224.19243 678.41162
5320.0000 -232.37074 -224.48179 7.88895 2.47958 -223.45200 710.69102
5325.0000 -230.80614 -222.87355 7.93259 2.49361 -223.16404 721.51757
5330.0000 -231.12780 -222.03525 9.09254 2.52780 -222.46223 734.66983
5335.0000 -231.90615 -223.24597 8.66018 2.55393 -221.92585 745.87746
5340.0000 -232.24735 -223.16823 9.07912 2.51359 -222.75394 715.20617
5345.0000 -230.77157 -224.08167 6.68990 2.48156 -223.41133 673.86819
5350.0000 -233.40252 -225.16471 8.23781 2.46375 -223.77706 668.94642
5355.0000 -233.43812 -225.73995 7.69817 2.39709 -225.14532 640.76654
5360.0000 -232.68142 -224.61203 8.06939 2.39983 -225.08918 669.92018
5365.0000 -232.57981 -223.62211 8.95770 2.43110 -224.44722 681.00577
5370.0000 -230.83990 -222.50400 8.33590 2.51992 -222.62397 718.70166
5375.0000 -231.75733 -222.53474 9.22259 2.55561 -221.89132 741.17993
5380.0000 -232.07133 -222.39909 9.67225 2.52384 -222.54355 726.43053
5385.0000 -231.77359 -222.93618 8.83742 2.50850 -222.85850 711.80493
5390.0000 -230.49612 -221.31322 9.18290 2.54185 -222.17379 742.38122
5395.0000 -231.39309 -222.34747 9.04562 2.57290 -221.53650 770.14623
5400.0000 -230.31382 -221.45375 8.86007 2.54327 -222.14466 721.38573
5405.0000 -230.69382 -221.40916 9.28466 2.56398 -221.71971 756.52217
5410.0000 -229.10712 -219.60649 9.50063 2.60629 -220.85115 773.16803
5415.0000 -229.17051 -220.23641 8.93410 2.65691 -219.81211 784.69618
5420.0000 -231.63110 -222.16407 9.46703 2.55941 -221.81348 724.81306
5425.0000 -230.73203 -223.17374 7.55829 2.50719 -222.88538 686.26223
5430.0000 -232.41435 -224.37429 8.04006 2.45795 -223.89598 674.87900
5435.0000 -232.57693 -224.01400 8.56293 2.44244 -224.21439 672.51442
5440.0000 -233.42101 -224.71246 8.70855 2.40438 -224.99579 653.74435
5445.0000 -231.71337 -222.67198 9.04139 2.46347 -223.78276 679.75631
5450.0000 -231.03004 -222.63646 8.39357 2.51651 -222.69400 723.32366
5455.0000 -230.49673 -222.17469 8.32204 2.52700 -222.47877 730.25128
5460.0000 -231.53786 -222.75291 8.78495 2.50571 -222.91579 709.52836
5465.0000 -230.93628 -222.36696 8.56932 2.52059 -222.61024 722.59492
5470.0000 -231.31599 -222.12734 9.18864 2.52920 -222.43347 726.38969
5475.0000 -230.05424 -221.71214 8.34210 2.56676 -221.66252 730.65919
5480.0000 -229.50493 -219.79279 9.71214 2.61854 -220.59963 766.84006
5485.0000 -230.69803 -222.63452 8.06352 2.60511 -220.87536 737.40739
5490.0000 -231.71202 -222.89622 8.81579 2.52305 -222.55985 718.49698
5495.0000 -232.26455 -223.83633 8.42821 2.49951 -223.04292 697.58322
5500.0000 -229.42862 -219.93137 9.49726 2.56755 -221.64626 753.22042
FREEZING PROCESS: loop number 23 T-loop= 689.00000000000000
main_MD> interactions number 23 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.36525 1.36846 0.99728
force_rgl> df(natom) -1.86486 -1.34423 1.09334
5505.0000 -231.12186 -222.23036 8.89150 2.59486 -221.08574 755.37627
5510.0000 -232.66139 -223.79615 8.86524 2.49005 -223.23709 701.04452
5515.0000 -232.09504 -223.08580 9.00925 2.43979 -224.26878 654.73071
5520.0000 -231.05783 -223.08487 7.97297 2.51324 -222.76117 718.10672
5525.0000 -232.06380 -222.92541 9.13839 2.48282 -223.38559 694.67097
5530.0000 -231.37403 -222.73442 8.63961 2.50095 -223.01345 715.13131
5535.0000 -232.30017 -223.72101 8.57916 2.48897 -223.25936 680.12666
5540.0000 -232.24651 -224.13903 8.10748 2.48560 -223.32849 689.03183
5545.0000 -233.48572 -226.21486 7.27087 2.37856 -225.52580 627.29714
5550.0000 -232.19014 -224.58686 7.60329 2.35401 -226.02971 624.86135
5555.0000 -231.34813 -223.08155 8.26659 2.46913 -223.66666 704.45415
5560.0000 -232.45307 -223.89560 8.55747 2.43384 -224.39103 668.34997
5565.0000 -233.78548 -225.44308 8.34241 2.44261 -224.21105 671.69963
5570.0000 -233.48341 -225.66152 7.82189 2.35345 -226.04109 603.62649
5575.0000 -232.10514 -224.77332 7.33182 2.37850 -225.52684 626.41914
5580.0000 -232.68300 -225.09699 7.58601 2.40524 -224.97810 645.56332
5585.0000 -232.19554 -224.25040 7.94515 2.43529 -224.36129 682.19279
5590.0000 -233.83544 -224.92097 8.91447 2.44866 -224.08668 703.55367
5595.0000 -231.61557 -223.01552 8.60005 2.43652 -224.33598 689.02306
5600.0000 -232.11581 -223.86718 8.24864 2.44203 -224.22279 701.59887
5605.0000 -232.02272 -223.24187 8.78085 2.48423 -223.35672 701.44611
5610.0000 -231.62503 -224.12343 7.50161 2.46348 -223.78247 677.21984
5615.0000 -231.69642 -222.34470 9.35172 2.47939 -223.45606 686.45489
5620.0000 -231.97180 -223.46669 8.50512 2.52172 -222.58713 713.93958
5625.0000 -231.47888 -223.08897 8.38991 2.50177 -222.99659 705.72411
5630.0000 -231.74141 -222.37664 9.36477 2.50344 -222.96234 703.84493
5635.0000 -231.81471 -224.09744 7.71726 2.46317 -223.78897 662.20429
5640.0000 -231.20851 -223.10091 8.10760 2.47817 -223.48098 689.92469
5645.0000 -232.76371 -225.26954 7.49417 2.45717 -223.91198 680.92434
5650.0000 -232.03965 -223.44543 8.59422 2.42710 -224.52942 662.49685
5655.0000 -232.47672 -223.89668 8.58004 2.46184 -223.81627 674.23684
5660.0000 -231.71896 -223.02574 8.69322 2.48300 -223.38190 706.47152
5665.0000 -231.73880 -223.54607 8.19274 2.48122 -223.41851 694.70869
5670.0000 -232.69318 -225.04573 7.64745 2.46838 -223.68187 696.70826
5675.0000 -233.54854 -226.17887 7.36968 2.38552 -225.38280 655.07071
5680.0000 -233.37363 -225.55678 7.81685 2.35664 -225.97555 631.86094
5685.0000 -230.97901 -223.17268 7.80633 2.46696 -223.71109 677.91531
5690.0000 -231.55608 -224.18690 7.36919 2.47539 -223.53805 678.14270
5695.0000 -232.50536 -223.55826 8.94710 2.43594 -224.34792 649.31299
5700.0000 -232.62324 -224.03272 8.59052 2.45600 -223.93600 683.00884
5705.0000 -231.71374 -224.32659 7.38716 2.44112 -224.24148 674.52941
5710.0000 -232.81353 -224.45996 8.35357 2.42704 -224.53057 660.21359
5715.0000 -231.75477 -224.14997 7.60481 2.46358 -223.78058 671.47764
5720.0000 -231.10764 -222.73366 8.37398 2.51410 -222.74358 700.70105
5725.0000 -231.60402 -222.23724 9.36678 2.51395 -222.74660 717.81965
5730.0000 -230.36829 -221.90988 8.45841 2.53262 -222.36331 742.85865
5735.0000 -230.92628 -221.57255 9.35373 2.57920 -221.40715 736.88877
5740.0000 -232.94261 -223.82218 9.12043 2.51738 -222.67618 705.57779
5745.0000 -231.69914 -223.68986 8.00929 2.46957 -223.65758 678.80174
5750.0000 -230.45204 -223.07193 7.38011 2.50735 -222.88197 715.90604
FREEZING PROCESS: loop number 24 T-loop= 664.00000000000000
main_MD> interactions number 24 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.90366 -1.74768 -3.71170
force_rgl> df(natom) 2.60606 -0.96575 -1.12019
5755.0000 -231.21077 -222.55434 8.65643 2.50593 -222.91125 704.64844
5760.0000 -232.04784 -223.94516 8.10268 2.51840 -222.65525 714.56310
5765.0000 -233.46755 -224.47083 8.99672 2.43008 -224.46819 655.04744
5770.0000 -232.71717 -225.03027 7.68690 2.38857 -225.32030 649.72770
5775.0000 -232.28315 -224.96575 7.31740 2.38581 -225.37683 644.98450
5780.0000 -233.16474 -225.66907 7.49568 2.36786 -225.74525 635.78655
5785.0000 -234.47453 -226.67117 7.80335 2.38269 -225.44092 655.44150
5790.0000 -232.80512 -224.15922 8.64591 2.35660 -225.97640 648.14386
5795.0000 -233.16015 -224.48388 8.67626 2.45293 -223.99920 692.51137
5800.0000 -231.25330 -224.19123 7.06208 2.40031 -225.07929 641.64036
5805.0000 -233.39940 -225.25608 8.14332 2.44998 -224.05964 701.35296
5810.0000 -230.83939 -223.73600 7.10340 2.42499 -224.57257 655.54299
5815.0000 -231.23068 -222.69108 8.53960 2.46046 -223.84449 682.72100
5820.0000 -230.97044 -222.85819 8.11225 2.48523 -223.33602 705.86139
5825.0000 -233.13240 -224.41800 8.71440 2.48152 -223.41229 721.45012
5830.0000 -231.83230 -224.05802 7.77429 2.48402 -223.36099 705.55752
5835.0000 -231.84049 -223.58026 8.26023 2.46074 -223.83873 685.23898
5840.0000 -233.99325 -225.98830 8.00495 2.44187 -224.22604 658.38449
5845.0000 -234.07485 -225.42087 8.65398 2.38007 -225.49460 622.79257
5850.0000 -231.88897 -223.04722 8.84175 2.39846 -225.11714 631.81401
5855.0000 -231.71118 -221.87346 9.83772 2.48393 -223.36272 694.27515
5860.0000 -232.37393 -224.24179 8.13214 2.47751 -223.49456 700.44214
5865.0000 -232.18582 -223.84860 8.33721 2.45821 -223.89079 686.00253
5870.0000 -232.32450 -224.58855 7.73596 2.44200 -224.22356 688.98907
5875.0000 -231.77892 -223.03207 8.74685 2.44626 -224.13599 682.72028
5880.0000 -233.07762 -224.78038 8.29724 2.46143 -223.82462 670.66040
5885.0000 -232.95779 -225.51182 7.44596 2.41419 -224.79438 667.36467
5890.0000 -232.21669 -224.34824 7.86845 2.40573 -224.96797 672.28172
5895.0000 -232.88071 -224.08148 8.79923 2.45182 -224.02191 694.47326
5900.0000 -230.93598 -223.47518 7.46079 2.45464 -223.96398 679.53425
5905.0000 -232.70812 -224.61450 8.09362 2.44074 -224.24935 687.33010
5910.0000 -232.92162 -224.68536 8.23626 2.46394 -223.77311 693.39999
5915.0000 -232.71903 -224.97246 7.74657 2.40975 -224.88553 644.91827
5920.0000 -234.40484 -226.49144 7.91340 2.37276 -225.64469 619.28949
5925.0000 -233.21143 -225.68890 7.52253 2.35979 -225.91103 634.98096
5930.0000 -233.34388 -225.67773 7.66614 2.36512 -225.80164 628.54362
5935.0000 -232.07778 -224.25231 7.82547 2.39496 -225.18900 638.32403
5940.0000 -231.77640 -224.41560 7.36080 2.44780 -224.10448 677.81811
5945.0000 -232.68304 -225.10489 7.57815 2.40458 -224.99168 640.06430
5950.0000 -233.41365 -225.61184 7.80181 2.37057 -225.68976 642.75157
5955.0000 -232.27295 -224.99845 7.27451 2.34740 -226.16524 608.70341
5960.0000 -233.54395 -225.11263 8.43132 2.42161 -224.64201 651.57089
5965.0000 -232.02076 -224.07952 7.94124 2.41098 -224.86028 642.47932
5970.0000 -231.43662 -222.74389 8.69273 2.52275 -222.56597 722.26635
5975.0000 -231.98064 -224.15983 7.82081 2.47230 -223.60156 688.42025
5980.0000 -232.15204 -224.12029 8.03175 2.45225 -224.01311 669.22687
5985.0000 -233.04870 -223.33263 9.71607 2.45541 -223.94814 696.09744
5990.0000 -232.85043 -225.04264 7.80779 2.43927 -224.27960 662.40412
5995.0000 -232.25035 -225.83271 6.41763 2.35453 -226.01905 622.22595
6000.0000 -233.08478 -225.23313 7.85164 2.36868 -225.72851 615.83547
FREEZING PROCESS: loop number 25 T-loop= 639.00000000000000
main_MD> interactions number 25 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.25162 2.86352 -1.22754
force_rgl> df(natom) 0.39459 0.22660 -1.52858
6005.0000 -231.28134 -224.45250 6.82885 2.41294 -224.82002 648.85353
6010.0000 -233.23150 -226.13498 7.09652 2.36515 -225.80087 606.47089
6015.0000 -233.93597 -225.56813 8.36783 2.34641 -226.18567 609.92488
6020.0000 -233.08642 -226.18484 6.90158 2.39755 -225.13586 640.97609
6025.0000 -232.35840 -224.76916 7.58925 2.36903 -225.72141 619.59036
6030.0000 -232.14652 -223.95489 8.19163 2.48918 -223.25510 697.68674
6035.0000 -232.66889 -224.88200 7.78689 2.39661 -225.15511 633.11153
6040.0000 -231.65728 -223.17156 8.48572 2.43378 -224.39226 672.58826
6045.0000 -232.86680 -224.97791 7.88889 2.43804 -224.30481 686.48150
6050.0000 -233.07105 -225.89710 7.17395 2.39108 -225.26863 647.81382
6055.0000 -233.81951 -226.90009 6.91942 2.35696 -225.96907 636.77347
6060.0000 -233.83664 -226.05843 7.77821 2.35892 -225.92893 632.50248
6065.0000 -232.91112 -224.76693 8.14419 2.34369 -226.24155 613.42344
6070.0000 -233.31034 -225.77685 7.53349 2.39955 -225.09478 661.07071
6075.0000 -233.13658 -225.61051 7.52607 2.37603 -225.57761 647.53867
6080.0000 -233.22481 -224.72919 8.49562 2.39755 -225.13592 659.67165
6085.0000 -231.33093 -223.12793 8.20300 2.46510 -223.74929 683.97098
6090.0000 -233.34566 -224.82564 8.52001 2.46609 -223.72901 678.57792
6095.0000 -233.11700 -224.33278 8.78422 2.46698 -223.71069 682.59022
6100.0000 -232.18042 -224.86641 7.31401 2.41806 -224.71483 656.33814
6105.0000 -233.09842 -224.84416 8.25426 2.37915 -225.51359 634.18533
6110.0000 -232.72076 -224.62449 8.09627 2.42596 -224.55277 641.69719
6115.0000 -231.65536 -225.65738 5.99798 2.38331 -225.42824 627.66599
6120.0000 -234.62313 -226.43782 8.18531 2.36296 -225.84585 638.13823
6125.0000 -233.14715 -226.22174 6.92541 2.30481 -227.03960 593.97777
6130.0000 -233.47412 -226.51042 6.96371 2.32437 -226.63797 608.71474
6135.0000 -235.40766 -228.60173 6.80593 2.28362 -227.47457 590.90852
6140.0000 -235.19045 -229.06859 6.12187 2.25281 -228.10689 568.53257
6145.0000 -234.15037 -227.04731 7.10306 2.23657 -228.44032 558.27891
6150.0000 -233.67401 -227.86622 5.80779 2.29219 -227.29866 578.54395
6155.0000 -233.14186 -225.43668 7.70518 2.33037 -226.51482 594.98395
6160.0000 -233.83936 -225.63074 8.20862 2.39716 -225.14387 634.79078
6165.0000 -232.34678 -224.40748 7.93930 2.42268 -224.62005 664.32444
6170.0000 -233.42249 -225.49696 7.92553 2.43037 -224.46216 672.08308
6175.0000 -233.25193 -224.61597 8.63595 2.36052 -225.89607 638.70904
6180.0000 -232.54887 -223.66061 8.88825 2.42528 -224.56668 674.84990
6185.0000 -232.87190 -225.46419 7.40772 2.44147 -224.23443 678.53745
6190.0000 -232.99078 -225.81185 7.17893 2.37876 -225.52166 644.76543
6195.0000 -233.45037 -226.36448 7.08589 2.35127 -226.08582 612.85434
6200.0000 -231.97316 -225.39193 6.58123 2.37012 -225.69890 628.00986
6205.0000 -232.79252 -224.92971 7.86281 2.37666 -225.56471 635.61078
6210.0000 -233.65371 -224.85284 8.80087 2.42081 -224.65848 663.52956
6215.0000 -234.45530 -226.83820 7.61710 2.38441 -225.40556 645.06178
6220.0000 -233.17970 -225.51991 7.65979 2.34259 -226.26408 607.97531
6225.0000 -234.02444 -226.52938 7.49505 2.36395 -225.82557 647.17298
6230.0000 -233.34300 -225.26872 8.07428 2.36071 -225.89213 642.53801
6235.0000 -233.11307 -225.30841 7.80467 2.36785 -225.74553 644.48660
6240.0000 -231.80673 -224.52615 7.28058 2.41132 -224.85325 677.25054
6245.0000 -233.45527 -226.44818 7.00709 2.36085 -225.88913 634.88879
6250.0000 -232.85133 -225.12848 7.72284 2.35796 -225.94848 631.98966
FREEZING PROCESS: loop number 26 T-loop= 614.00000000000000
main_MD> interactions number 26 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47005 -0.78078 -3.71379
force_rgl> df(natom) -0.87645 -2.61313 -0.04831
6255.0000 -234.52791 -227.07605 7.45187 2.31678 -226.79385 597.13175
6260.0000 -233.82184 -226.78188 7.03996 2.30353 -227.06583 619.33057
6265.0000 -234.52552 -227.12165 7.40387 2.30492 -227.03722 633.91153
6270.0000 -235.14062 -228.79674 6.34388 2.25464 -228.06942 583.17610
6275.0000 -235.56368 -229.09872 6.46495 2.21558 -228.87125 562.46876
6280.0000 -234.68690 -228.42439 6.26251 2.21161 -228.95270 548.14379
6285.0000 -236.13590 -228.40561 7.73029 2.22817 -228.61279 583.08132
6290.0000 -235.20983 -228.22390 6.98593 2.25176 -228.12858 589.21844
6295.0000 -233.73608 -227.59350 6.14257 2.26541 -227.84831 570.79519
6300.0000 -234.06194 -227.50344 6.55850 2.27922 -227.56475 562.75419
6305.0000 -234.46595 -228.11949 6.34646 2.28439 -227.45862 578.43727
6310.0000 -233.88215 -226.82550 7.05665 2.30032 -227.13180 597.28161
6315.0000 -234.53106 -226.70032 7.83074 2.31502 -226.82997 598.59841
6320.0000 -233.91819 -226.63813 7.28006 2.33932 -226.33107 642.30692
6325.0000 -232.79411 -225.04700 7.74711 2.38326 -225.42922 649.06231
6330.0000 -233.63859 -225.90344 7.73516 2.35609 -225.98692 634.32033
6335.0000 -233.26040 -225.68965 7.57075 2.32429 -226.63970 608.17483
6340.0000 -232.95851 -224.98418 7.97433 2.40280 -225.02808 660.21314
6345.0000 -233.12981 -225.92857 7.20124 2.40192 -225.04620 636.36458
6350.0000 -232.67497 -226.45341 6.22157 2.34814 -226.15002 611.54059
6355.0000 -234.37385 -226.61379 7.76006 2.36166 -225.87270 622.59156
6360.0000 -232.82550 -224.74637 8.07913 2.36081 -225.89008 626.91142
6365.0000 -232.89999 -224.52669 8.37330 2.41819 -224.71225 674.60276
6370.0000 -234.54444 -227.47875 7.06568 2.35788 -225.95012 623.88222
6375.0000 -232.35910 -224.81353 7.54557 2.37394 -225.62050 634.77182
6380.0000 -233.10906 -225.48527 7.62379 2.40799 -224.92158 639.31019
6385.0000 -233.36041 -225.46199 7.89842 2.38981 -225.29469 634.60320
6390.0000 -232.44664 -224.17050 8.27613 2.42853 -224.49988 653.23130
6395.0000 -234.40604 -226.28093 8.12511 2.40748 -224.93201 647.34332
6400.0000 -232.99758 -225.99990 6.99768 2.34870 -226.13867 627.20115
6405.0000 -234.77768 -228.05523 6.72245 2.28000 -227.54879 560.95573
6410.0000 -234.10392 -226.46726 7.63667 2.30601 -227.01485 596.29055
6415.0000 -234.10942 -225.97817 8.13125 2.33260 -226.46920 601.10539
6420.0000 -233.23152 -224.96651 8.26501 2.37339 -225.63179 619.21150
6425.0000 -233.63672 -225.48997 8.14675 2.40357 -225.01238 648.34938
6430.0000 -233.40236 -225.42186 7.98050 2.36743 -225.75421 632.26779
6435.0000 -233.23315 -225.09281 8.14034 2.37492 -225.60041 633.89196
6440.0000 -233.52717 -225.70000 7.82716 2.39379 -225.21310 628.93707
6445.0000 -233.14697 -225.70474 7.44223 2.35176 -226.07577 616.55133
6450.0000 -234.88750 -226.07265 8.81485 2.37941 -225.50820 663.86741
6455.0000 -234.75495 -226.33401 8.42093 2.35152 -226.08065 622.87989
6460.0000 -233.44847 -226.15866 7.28980 2.32337 -226.65856 587.99242
6465.0000 -233.24468 -226.06592 7.17876 2.33129 -226.49595 602.20481
6470.0000 -233.80390 -227.00312 6.80078 2.31940 -226.74003 578.32222
6475.0000 -233.65173 -226.67286 6.97887 2.33533 -226.41303 611.15012
6480.0000 -234.50744 -226.91209 7.59535 2.31687 -226.79192 606.84784
6485.0000 -233.68954 -226.10774 7.58180 2.32659 -226.59245 601.70143
6490.0000 -233.57894 -225.98576 7.59318 2.33842 -226.34962 628.29615
6495.0000 -234.44987 -226.77389 7.67598 2.32717 -226.58067 630.23461
6500.0000 -233.38037 -225.39043 7.98994 2.37306 -225.63858 636.26627
FREEZING PROCESS: loop number 27 T-loop= 589.00000000000000
main_MD> interactions number 27 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27615 -1.32310 -0.14508
force_rgl> df(natom) 0.99228 2.21821 0.74411
6505.0000 -234.83371 -227.28538 7.54833 2.34863 -226.14009 620.11546
6510.0000 -233.34053 -225.87050 7.47003 2.30947 -226.94390 594.35481
6515.0000 -234.71025 -226.60591 8.10434 2.33310 -226.45883 620.91958
6520.0000 -233.75317 -227.35869 6.39448 2.31231 -226.88565 611.76792
6525.0000 -234.42234 -227.48972 6.93262 2.25006 -228.16336 571.55851
6530.0000 -234.22994 -227.25304 6.97690 2.28189 -227.51009 584.19521
6535.0000 -233.84914 -227.45966 6.38948 2.28391 -227.46850 584.71653
6540.0000 -235.47484 -228.48699 6.98785 2.24563 -228.25426 563.25007
6545.0000 -234.68261 -228.26939 6.41322 2.25202 -228.12312 566.24038
6550.0000 -233.72095 -226.30050 7.42044 2.29689 -227.20206 611.90600
6555.0000 -233.66691 -226.36875 7.29816 2.32506 -226.62396 606.65916
6560.0000 -235.06874 -227.61404 7.45469 2.30236 -227.08983 607.00445
6565.0000 -233.37515 -226.92767 6.44748 2.31070 -226.91872 618.76020
6570.0000 -234.41458 -227.97569 6.43889 2.25479 -228.06635 572.44905
6575.0000 -235.32741 -227.39608 7.93133 2.23512 -228.47004 563.29674
6580.0000 -234.89961 -227.53928 7.36033 2.25177 -228.12839 577.31546
6585.0000 -233.75348 -227.50450 6.24898 2.33406 -226.43907 600.72731
6590.0000 -233.60367 -226.69298 6.91069 2.31530 -226.82430 578.36532
6595.0000 -234.03422 -227.12793 6.90629 2.29640 -227.21211 568.72299
6600.0000 -233.51457 -227.14500 6.36957 2.28666 -227.41211 577.49245
6605.0000 -233.38109 -226.83994 6.54115 2.28504 -227.44538 583.02278
6610.0000 -233.44851 -226.63801 6.81050 2.34635 -226.18696 603.97265
6615.0000 -233.32910 -225.34746 7.98164 2.35924 -225.92234 612.11771
6620.0000 -234.37535 -226.62733 7.74802 2.33959 -226.32557 603.33866
6625.0000 -233.07567 -226.14977 6.92590 2.37799 -225.53750 635.07174
6630.0000 -231.89407 -225.06342 6.83065 2.35045 -226.10260 620.70899
6635.0000 -233.58393 -227.34479 6.23914 2.33892 -226.33942 597.33264
6640.0000 -234.36494 -228.25869 6.10625 2.27121 -227.72920 568.18601
6645.0000 -233.12325 -226.26110 6.86215 2.25105 -228.14312 554.40775
6650.0000 -232.81396 -225.17789 7.63607 2.37243 -225.65159 608.51472
6655.0000 -233.61525 -226.59720 7.01805 2.37115 -225.67777 611.50301
6660.0000 -233.71951 -226.36097 7.35855 2.30135 -227.11058 566.32648
6665.0000 -233.39344 -226.36435 7.02909 2.34513 -226.21186 603.30680
6670.0000 -233.38261 -227.07684 6.30577 2.31970 -226.73400 571.51847
6675.0000 -233.49214 -226.95267 6.53947 2.31112 -226.90994 573.65802
6680.0000 -234.72885 -227.60351 7.12534 2.28836 -227.37724 578.80279
6685.0000 -234.45190 -227.68799 6.76391 2.29305 -227.28091 570.84843
6690.0000 -233.16817 -226.30988 6.85829 2.32211 -226.68434 599.84752
6695.0000 -234.07933 -226.55539 7.52394 2.32163 -226.69420 609.97760
6700.0000 -235.70342 -228.94776 6.75566 2.24260 -228.31653 560.53213
6705.0000 -234.02594 -227.74054 6.28539 2.23019 -228.57119 544.30886
6710.0000 -234.91264 -228.63382 6.27882 2.25335 -228.09576 557.30204
6715.0000 -234.33862 -227.50319 6.83542 2.25885 -227.98295 575.57830
6720.0000 -234.60008 -226.53932 8.06076 2.30969 -226.93934 611.40198
6725.0000 -234.97519 -226.40514 8.57005 2.33206 -226.48014 596.09353
6730.0000 -233.69481 -225.93720 7.75761 2.35886 -225.93002 629.88389
6735.0000 -234.48868 -227.18499 7.30369 2.32147 -226.69750 604.20873
6740.0000 -233.95516 -227.69540 6.25975 2.31754 -226.77819 608.99525
6745.0000 -235.09618 -227.85183 7.24435 2.26213 -227.91559 570.25278
6750.0000 -235.95793 -229.13160 6.82633 2.23009 -228.57341 551.30098
FREEZING PROCESS: loop number 28 T-loop= 564.00000000000000
main_MD> interactions number 28 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39542 -0.40510 1.14000
force_rgl> df(natom) 0.61509 -2.06969 -0.88014
6755.0000 -235.27442 -229.86381 5.41061 2.18676 -229.46273 512.57605
6760.0000 -236.07402 -229.59537 6.47865 2.18465 -229.50606 519.72373
6765.0000 -236.53802 -229.98677 6.55125 2.17033 -229.80008 527.72857
6770.0000 -235.29757 -229.30050 5.99707 2.17171 -229.77161 526.32000
6775.0000 -235.64460 -228.28245 7.36215 2.24437 -228.28027 565.38260
6780.0000 -235.01875 -227.79159 7.22716 2.26854 -227.78411 568.34512
6785.0000 -236.15701 -229.09772 7.05929 2.25240 -228.11540 550.51293
6790.0000 -234.37887 -228.28335 6.09553 2.21702 -228.84160 550.63329
6795.0000 -234.79593 -228.13395 6.66198 2.24848 -228.19591 552.94235
6800.0000 -234.88105 -228.55781 6.32325 2.24478 -228.27183 542.80853
6805.0000 -234.63958 -227.07368 7.56591 2.27090 -227.73567 572.78112
6810.0000 -234.04266 -227.46604 6.57662 2.28629 -227.41966 568.80323
6815.0000 -235.18993 -228.72468 6.46525 2.23279 -228.51787 551.24346
6820.0000 -236.39407 -229.49997 6.89410 2.21152 -228.95459 538.54916
6825.0000 -235.30733 -228.99455 6.31278 2.20855 -229.01551 536.07019
6830.0000 -236.63147 -230.22884 6.40264 2.14998 -230.21781 477.33299
6835.0000 -236.97314 -230.22226 6.75088 2.16662 -229.87611 502.46365
6840.0000 -235.95350 -229.93245 6.02104 2.18058 -229.58951 523.15100
6845.0000 -235.46244 -228.27987 7.18257 2.22634 -228.65038 554.65415
6850.0000 -235.62559 -229.18461 6.44098 2.22136 -228.75252 542.36110
6855.0000 -235.54761 -228.48867 7.05894 2.20430 -229.10278 560.91828
6860.0000 -234.88216 -228.56716 6.31500 2.21406 -228.90232 560.59048
6865.0000 -236.15914 -229.76220 6.39694 2.19557 -229.28193 553.76747
6870.0000 -235.76068 -229.55837 6.20231 2.19184 -229.35842 560.38325
6875.0000 -236.63119 -229.73902 6.89217 2.19498 -229.29411 567.62014
6880.0000 -236.89256 -230.70554 6.18702 2.18820 -229.43328 561.96868
6885.0000 -236.77738 -230.36805 6.40933 2.15407 -230.13374 554.12386
6890.0000 -236.33168 -229.85019 6.48149 2.17457 -229.71306 561.22356
6895.0000 -237.41646 -231.08024 6.33622 2.14452 -230.32972 535.77896
6900.0000 -236.92649 -229.73074 7.19576 2.14432 -230.33380 537.91897
6905.0000 -236.78766 -230.48309 6.30457 2.17410 -229.72271 555.92516
6910.0000 -236.35437 -230.86710 5.48727 2.16164 -229.97831 529.77807
6915.0000 -236.07913 -229.39408 6.68505 2.16527 -229.90392 537.83372
6920.0000 -236.69181 -230.06818 6.62363 2.18558 -229.48700 565.85066
6925.0000 -234.43719 -228.36574 6.07145 2.21013 -228.98306 575.33186
6930.0000 -235.49909 -229.09901 6.40008 2.21611 -228.86037 557.58805
6935.0000 -236.17023 -228.80101 7.36922 2.22083 -228.76347 571.71711
6940.0000 -236.17201 -229.50586 6.66616 2.20873 -229.01178 577.48142
6945.0000 -235.61483 -228.07495 7.53988 2.22269 -228.72511 564.75598
6950.0000 -236.01705 -229.51705 6.50001 2.21978 -228.78493 553.21106
6955.0000 -235.11382 -228.79757 6.31625 2.20735 -229.04008 543.84655
6960.0000 -233.18824 -227.33576 5.85248 2.26620 -227.83210 562.94108
6965.0000 -233.53544 -227.45413 6.08131 2.27777 -227.59451 564.06716
6970.0000 -234.47985 -226.95446 7.52539 2.29337 -227.27429 582.06278
6975.0000 -235.58111 -228.40317 7.17795 2.25639 -228.03340 578.39816
6980.0000 -235.29976 -228.88407 6.41569 2.23145 -228.54543 550.03339
6985.0000 -234.90188 -227.63994 7.26194 2.24127 -228.34388 554.00367
6990.0000 -234.60810 -227.82405 6.78404 2.26941 -227.76628 555.44542
6995.0000 -233.64925 -226.65359 6.99566 2.29833 -227.17250 597.10643
7000.0000 -235.80279 -228.82667 6.97612 2.25538 -228.05424 570.10885
FREEZING PROCESS: loop number 29 T-loop= 539.00000000000000
main_MD> interactions number 29 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35973 1.35277 2.31045
force_rgl> df(natom) 0.82257 -0.52910 1.21479
7005.0000 -235.53218 -229.18620 6.34598 2.21574 -228.86786 539.64265
7010.0000 -236.26542 -230.37685 5.88857 2.17073 -229.79181 512.72155
7015.0000 -236.21991 -229.58961 6.63030 2.17883 -229.62547 525.98042
7020.0000 -235.72771 -229.29873 6.42898 2.18970 -229.40236 537.87979
7025.0000 -235.90701 -229.34225 6.56476 2.19290 -229.33661 550.26753
7030.0000 -235.26504 -228.72947 6.53557 2.19347 -229.32501 547.02919
7035.0000 -235.37477 -228.49105 6.88372 2.21935 -228.79382 564.56575
7040.0000 -235.52623 -228.34823 7.17800 2.22284 -228.72206 566.02412
7045.0000 -236.32966 -230.01781 6.31185 2.18597 -229.47896 535.31145
7050.0000 -235.70789 -228.26559 7.44229 2.18832 -229.43063 538.16625
7055.0000 -236.62454 -229.61248 7.01206 2.18645 -229.46920 530.78872
7060.0000 -236.64890 -230.06693 6.58197 2.18888 -229.41919 525.57576
7065.0000 -236.73703 -231.07830 5.65873 2.15952 -230.02199 543.86482
7070.0000 -237.25785 -231.05752 6.20033 2.13150 -230.59700 521.17453
7075.0000 -237.53435 -231.66289 5.87146 2.09707 -231.30387 500.44851
7080.0000 -237.52309 -231.13820 6.38489 2.07729 -231.70977 497.82040
7085.0000 -236.32803 -229.79317 6.53486 2.15178 -230.18072 553.94035
7090.0000 -236.62794 -230.55852 6.06941 2.15531 -230.10821 558.94714
7095.0000 -237.52000 -230.71050 6.80951 2.14045 -230.41331 545.60909
7100.0000 -236.02147 -230.04559 5.97588 2.15418 -230.13154 555.18290
7105.0000 -235.87724 -229.54634 6.33090 2.15879 -230.03684 547.85790
7110.0000 -236.00399 -229.76252 6.24147 2.17287 -229.74782 560.31981
7115.0000 -237.50365 -231.05241 6.45124 2.14656 -230.28786 541.30433
7120.0000 -237.80812 -231.63986 6.16826 2.06510 -231.96006 480.38328
7125.0000 -237.28529 -230.03207 7.25321 2.11712 -230.89226 506.13332
7130.0000 -236.92767 -230.47430 6.45337 2.17705 -229.66213 564.35527
7135.0000 -236.51478 -230.74230 5.77248 2.11768 -230.88082 516.90885
7140.0000 -237.48720 -230.90624 6.58097 2.12064 -230.81996 509.70273
7145.0000 -237.07418 -230.73497 6.33921 2.12678 -230.69387 508.56448
7150.0000 -237.40401 -231.26263 6.14137 2.10578 -231.12509 504.10611
7155.0000 -238.33113 -231.36458 6.96655 2.09071 -231.43426 503.65728
7160.0000 -236.29294 -230.26109 6.03185 2.12451 -230.74052 526.47187
7165.0000 -235.94616 -229.42417 6.52200 2.17137 -229.77865 555.13784
7170.0000 -235.57906 -228.75225 6.82682 2.21273 -228.92958 571.59676
7175.0000 -235.30822 -229.25246 6.05576 2.19146 -229.36626 539.06021
7180.0000 -236.68834 -229.99085 6.69749 2.20825 -229.02152 550.80760
7185.0000 -236.21076 -229.11056 7.10021 2.20945 -228.99691 554.82198
7190.0000 -236.45355 -230.28460 6.16895 2.17265 -229.75237 532.24609
7195.0000 -236.06140 -229.72384 6.33756 2.13439 -230.53781 516.26756
7200.0000 -235.92808 -230.31191 5.61617 2.15392 -230.13683 519.58368
7205.0000 -236.33164 -229.91811 6.41352 2.15641 -230.08583 511.13513
7210.0000 -235.84882 -229.67074 6.17807 2.19135 -229.36844 520.21925
7215.0000 -236.13364 -229.93420 6.19945 2.18313 -229.53731 529.33448
7220.0000 -235.94630 -229.92244 6.02386 2.16471 -229.91527 507.38554
7225.0000 -235.60273 -229.62069 5.98205 2.17549 -229.69415 526.30869
7230.0000 -235.74434 -229.42340 6.32094 2.20867 -229.01298 529.54449
7235.0000 -235.00733 -229.46321 5.54412 2.20784 -229.02998 505.84475
7240.0000 -235.50141 -229.59053 5.91088 2.16786 -229.85074 509.15442
7245.0000 -236.02499 -229.13529 6.88970 2.18483 -229.50228 508.97640
7250.0000 -235.64330 -229.68892 5.95438 2.18395 -229.52046 518.44675
FREEZING PROCESS: loop number 30 T-loop= 514.00000000000000
main_MD> interactions number 30 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64231 -0.61277 0.09557
force_rgl> df(natom) 0.79880 -2.12215 -0.51217
7255.0000 -235.12588 -228.32632 6.79955 2.21820 -228.81744 546.33923
7260.0000 -236.09538 -229.93754 6.15784 2.18891 -229.41855 514.24434
7265.0000 -234.71959 -228.00134 6.71825 2.19535 -229.28635 529.65729
7270.0000 -235.46882 -228.93474 6.53407 2.25659 -228.02930 573.51778
7275.0000 -235.44361 -229.12407 6.31954 2.17814 -229.63970 507.59961
7280.0000 -235.84846 -229.74604 6.10242 2.17750 -229.65285 540.98317
7285.0000 -236.55658 -230.33009 6.22649 2.15562 -230.10197 521.58551
7290.0000 -236.77003 -231.53844 5.23158 2.11153 -231.00690 479.48735
7295.0000 -237.09409 -231.79965 5.29444 2.09528 -231.34061 477.77114
7300.0000 -237.02437 -231.14253 5.88184 2.09156 -231.41690 477.35049
7305.0000 -237.20350 -231.13513 6.06837 2.06909 -231.87814 461.94239
7310.0000 -236.32173 -230.80532 5.51641 2.09688 -231.30760 472.84721
7315.0000 -237.16436 -230.77431 6.39005 2.11017 -231.03485 475.12936
7320.0000 -235.36225 -228.87041 6.49184 2.20150 -229.16026 546.27072
7325.0000 -235.62033 -230.31070 5.30963 2.16075 -229.99657 521.32488
7330.0000 -236.09503 -230.55985 5.53518 2.15414 -230.13233 503.62627
7335.0000 -237.06377 -231.14690 5.91686 2.12887 -230.65107 480.98260
7340.0000 -236.36515 -230.04184 6.32331 2.14879 -230.24207 512.58794
7345.0000 -236.52388 -230.93233 5.59155 2.11171 -231.00323 484.33613
7350.0000 -236.56246 -229.75267 6.80978 2.16646 -229.87945 535.00230
7355.0000 -236.10678 -229.73960 6.36718 2.19404 -229.31327 530.52321
7360.0000 -235.64601 -230.14700 5.49901 2.15080 -230.20094 500.97481
7365.0000 -235.90784 -228.13151 7.77633 2.18913 -229.41399 533.55296
7370.0000 -235.81075 -228.23812 7.57263 2.22164 -228.74667 581.90317
7375.0000 -236.98921 -229.56200 7.42722 2.21074 -228.97058 577.49334
7380.0000 -236.24600 -230.11446 6.13154 2.13761 -230.47169 522.42054
7385.0000 -238.34353 -232.35665 5.98688 2.07183 -231.82182 480.17627
7390.0000 -237.02745 -231.79670 5.23075 2.05915 -232.08216 462.79655
7395.0000 -235.59970 -229.14266 6.45704 2.13179 -230.59103 518.41617
7400.0000 -235.75865 -229.56458 6.19408 2.18001 -229.60123 541.98948
7405.0000 -237.66003 -231.93665 5.72337 2.11829 -230.86811 511.04469
7410.0000 -236.86385 -230.23474 6.62911 2.11575 -230.92033 503.31989
7415.0000 -236.69693 -230.01025 6.68668 2.11917 -230.85013 507.64915
7420.0000 -235.86814 -229.42172 6.44642 2.18350 -229.52966 549.39168
7425.0000 -236.26643 -230.23307 6.03336 2.16198 -229.97137 537.39377
7430.0000 -236.42289 -229.99501 6.42788 2.14301 -230.36073 506.02000
7435.0000 -235.39896 -229.07065 6.32831 2.17493 -229.70549 516.62702
7440.0000 -235.95790 -229.16287 6.79503 2.19362 -229.32191 544.60361
7445.0000 -238.15859 -231.85582 6.30277 2.13528 -230.51948 526.43753
7450.0000 -237.19257 -230.94324 6.24933 2.08193 -231.61448 489.06535
7455.0000 -236.50701 -230.84733 5.65968 2.08208 -231.61146 486.67716
7460.0000 -236.73509 -230.60739 6.12771 2.12594 -230.71110 486.52885
7465.0000 -236.66962 -229.28333 7.38629 2.20227 -229.14433 560.98157
7470.0000 -236.14190 -230.25049 5.89141 2.16289 -229.95280 544.60924
7475.0000 -237.41463 -231.92863 5.48600 2.10607 -231.11897 509.31347
7480.0000 -238.02553 -231.18074 6.84479 2.09718 -231.30151 501.36906
7485.0000 -236.24752 -231.71744 4.53008 2.09479 -231.35050 498.62632
7490.0000 -237.17442 -231.16759 6.00684 2.12055 -230.82185 517.20496
7495.0000 -237.12363 -231.37447 5.74916 2.09987 -231.24637 500.78200
7500.0000 -237.60423 -231.08608 6.51814 2.08931 -231.46298 511.55446
FREEZING PROCESS: loop number 31 T-loop= 489.00000000000000
main_MD> interactions number 31 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.52874 -1.61334 -0.70974
force_rgl> df(natom) -0.98437 1.30068 -1.23234
7505.0000 -236.85904 -230.20420 6.65484 2.12696 -230.69022 528.46839
7510.0000 -236.84247 -230.48657 6.35590 2.11093 -231.01933 507.36882
7515.0000 -236.65413 -231.15456 5.49957 2.12486 -230.73334 531.43766
7520.0000 -237.69351 -231.47539 6.21812 2.08719 -231.50667 511.07630
7525.0000 -238.30079 -231.65541 6.64539 2.08612 -231.52857 524.97820
7530.0000 -238.12925 -231.44882 6.68043 2.05295 -232.20935 489.30142
7535.0000 -238.45671 -232.95874 5.49797 2.03720 -232.53282 494.09542
7540.0000 -239.06138 -233.50747 5.55391 2.02124 -232.86029 475.94839
7545.0000 -238.23117 -232.80862 5.42254 2.01740 -232.93916 466.02777
7550.0000 -238.99451 -233.28460 5.70990 1.99025 -233.49647 440.07494
7555.0000 -239.08173 -233.37495 5.70678 2.01872 -232.91206 483.01173
7560.0000 -239.79781 -233.55264 6.24517 1.97444 -233.82094 453.31882
7565.0000 -238.44539 -232.94347 5.50192 2.01175 -233.05504 474.27671
7570.0000 -238.70612 -232.40648 6.29964 2.03354 -232.60791 482.99353
7575.0000 -238.43340 -233.05878 5.37462 2.02286 -232.82712 479.25582
7580.0000 -238.00971 -230.99797 7.01173 2.05205 -232.22797 502.10347
7585.0000 -238.66353 -232.56604 6.09748 2.08127 -231.62805 527.75053
7590.0000 -238.12204 -232.84042 5.28163 2.01596 -232.96878 472.82115
7595.0000 -238.25612 -232.57266 5.68347 2.04852 -232.30032 498.25165
7600.0000 -238.59021 -232.73982 5.85039 2.04161 -232.44222 502.64155
7605.0000 -238.72418 -232.96245 5.76173 2.02069 -232.87164 475.26443
7610.0000 -238.46299 -232.16751 6.29548 2.05035 -232.26273 491.02955
7615.0000 -237.90213 -231.85408 6.04805 2.03659 -232.54521 481.62842
7620.0000 -237.72709 -231.28920 6.43789 2.08279 -231.59688 513.75165
7625.0000 -237.79848 -231.65307 6.14541 2.09537 -231.33868 526.34014
7630.0000 -238.35929 -231.44980 6.90950 2.08063 -231.64117 532.07794
7635.0000 -237.88773 -231.79025 6.09749 2.07658 -231.72443 510.58902
7640.0000 -238.27578 -232.14090 6.13488 2.05916 -232.08191 509.61672
7645.0000 -238.76792 -232.62977 6.13815 2.04362 -232.40087 500.24656
7650.0000 -239.58638 -233.96152 5.62486 2.01017 -233.08758 474.56789
7655.0000 -238.15036 -231.80999 6.34038 2.03596 -232.55824 491.64591
7660.0000 -237.81903 -230.84511 6.97393 2.10261 -231.19000 538.57767
7665.0000 -237.94181 -232.07321 5.86860 2.09069 -231.43474 521.68292
7670.0000 -238.46972 -232.98409 5.48563 2.02375 -232.80882 486.13033
7675.0000 -238.94307 -233.91643 5.02664 2.00958 -233.09965 470.05063
7680.0000 -237.45470 -232.41479 5.03990 1.98502 -233.60379 454.53882
7685.0000 -238.24152 -231.68279 6.55872 2.04989 -232.27229 501.71169
7690.0000 -237.55436 -231.72429 5.83007 2.07712 -231.71321 516.75915
7695.0000 -238.43733 -232.52199 5.91534 2.05226 -232.22368 506.38241
7700.0000 -239.07826 -232.96897 6.10929 2.02203 -232.84422 476.09083
7705.0000 -238.53135 -232.04371 6.48764 2.04213 -232.43146 492.80053
7710.0000 -237.84377 -232.91348 4.93028 2.02320 -232.82020 478.57758
7715.0000 -238.85485 -232.39648 6.45836 2.05779 -232.11016 501.43872
7720.0000 -238.97842 -232.75879 6.21963 2.00687 -233.15539 474.46413
7725.0000 -238.11733 -232.06100 6.05633 2.06433 -231.97583 498.68045
7730.0000 -237.96277 -232.68438 5.27839 2.04923 -232.28589 487.54653
7735.0000 -239.20817 -233.35476 5.85342 2.01799 -232.92712 460.19853
7740.0000 -237.83887 -231.52998 6.30889 2.01452 -232.99835 464.24979
7745.0000 -238.14054 -232.60528 5.53526 2.05337 -232.20086 489.87728
7750.0000 -237.30164 -231.69755 5.60409 2.07418 -231.77366 501.00905
FREEZING PROCESS: loop number 32 T-loop= 464.00000000000000
main_MD> interactions number 32 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16897 0.64348 0.93102
force_rgl> df(natom) -0.63451 3.68290 1.22691
7755.0000 -238.73963 -232.90708 5.83255 2.03420 -232.59438 477.76087
7760.0000 -239.12733 -233.26912 5.85821 1.99000 -233.50164 441.83077
7765.0000 -238.38756 -233.90901 4.47855 1.97033 -233.90537 427.16966
7770.0000 -238.77134 -233.50543 5.26591 1.98521 -233.59991 436.06994
7775.0000 -239.38301 -234.06468 5.31833 1.96580 -233.99844 424.59374
7780.0000 -237.15970 -232.07861 5.08110 2.00244 -233.24629 444.60437
7785.0000 -238.38352 -232.27676 6.10676 2.06950 -231.86973 487.71265
7790.0000 -238.17990 -232.46296 5.71694 2.06649 -231.93148 488.48084
7795.0000 -237.84027 -232.35166 5.48861 2.03655 -232.54599 461.15512
7800.0000 -237.80512 -232.66928 5.13584 2.05710 -232.12433 475.44774
7805.0000 -236.96202 -232.19764 4.76438 2.03241 -232.63096 456.26960
7810.0000 -238.04421 -232.03245 6.01176 2.07478 -231.76142 473.85881
7815.0000 -237.76828 -232.06124 5.70704 2.06610 -231.93941 465.62257
7820.0000 -235.97765 -230.90765 5.07000 2.08370 -231.57825 463.17269
7825.0000 -237.26944 -232.00379 5.26565 2.08287 -231.59529 481.68010
7830.0000 -236.80994 -231.35043 5.45950 2.08158 -231.62172 474.04159
7835.0000 -238.22518 -232.34151 5.88367 2.07148 -231.82902 477.93667
7840.0000 -238.19730 -233.23021 4.96709 2.03679 -232.54105 446.20283
7845.0000 -238.76356 -233.75476 5.00880 2.00148 -233.26595 415.63425
7850.0000 -238.43817 -232.14553 6.29265 2.02772 -232.72741 441.53976
7855.0000 -238.25767 -233.06675 5.19092 2.00697 -233.15317 426.53272
7860.0000 -237.77190 -232.51967 5.25223 2.01835 -232.91965 426.15371
7865.0000 -237.58920 -232.06491 5.52429 2.04070 -232.46085 436.41933
7870.0000 -237.33173 -231.13461 6.19712 2.07848 -231.68529 459.81040
7875.0000 -237.66224 -231.89637 5.76587 2.08452 -231.56141 470.40152
7880.0000 -237.46077 -231.68395 5.77681 2.10018 -231.24003 475.89323
7885.0000 -236.89788 -231.99262 4.90525 2.09580 -231.32994 468.62834
7890.0000 -236.80928 -231.85023 4.95906 2.05741 -232.11784 439.50402
7895.0000 -237.64626 -232.18042 5.46584 2.06774 -231.90586 446.71238
7900.0000 -237.47668 -232.27899 5.19769 2.03813 -232.51366 419.59924
7905.0000 -236.93104 -231.27407 5.65697 2.06762 -231.90823 448.42543
7910.0000 -236.76422 -231.34052 5.42370 2.10239 -231.19456 473.76820
7915.0000 -235.85792 -230.10130 5.75662 2.13452 -230.53500 500.27961
7920.0000 -237.21999 -230.70605 6.51393 2.14160 -230.38970 491.58399
7925.0000 -236.44948 -231.34021 5.10927 2.09737 -231.29758 468.64484
7930.0000 -236.34795 -231.13744 5.21051 2.09486 -231.34918 459.39161
7935.0000 -236.28125 -231.05634 5.22491 2.11445 -230.94696 473.13018
7940.0000 -238.01152 -232.50035 5.51117 2.07992 -231.65575 457.82806
7945.0000 -237.57456 -232.26083 5.31372 2.03287 -232.62162 439.43414
7950.0000 -237.57332 -231.75632 5.81700 2.05491 -232.16914 458.01800
7955.0000 -238.75351 -233.48070 5.27281 2.04355 -232.40233 449.81949
7960.0000 -238.54401 -232.81101 5.73300 2.02180 -232.84888 445.63846
7965.0000 -238.32867 -232.56942 5.75925 2.03951 -232.48532 453.62493
7970.0000 -238.53740 -232.71064 5.82676 2.04011 -232.47293 457.84903
7975.0000 -237.40425 -231.95262 5.45163 2.05613 -232.14408 461.63927
7980.0000 -238.09150 -231.78978 6.30172 2.05530 -232.16113 476.15039
7985.0000 -237.98170 -232.20626 5.77545 2.05678 -232.13074 471.12325
7990.0000 -238.19674 -232.98524 5.21149 2.01675 -232.95254 442.03383
7995.0000 -237.98272 -232.57274 5.40998 2.03119 -232.65619 447.65241
8000.0000 -237.42746 -232.18075 5.24671 2.04726 -232.32632 464.39918
FREEZING PROCESS: loop number 33 T-loop= 439.00000000000000
main_MD> interactions number 33 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16883 0.31978 -1.25493
force_rgl> df(natom) -2.21860 0.09048 -0.85254
8005.0000 -238.36263 -232.53681 5.82582 2.05586 -232.14973 481.81484
8010.0000 -237.78814 -233.07851 4.70963 2.03545 -232.56858 444.49534
8015.0000 -237.39442 -232.30303 5.09139 2.03941 -232.48730 438.00663
8020.0000 -237.80121 -232.77614 5.02508 2.03366 -232.60540 434.73851
8025.0000 -237.72230 -232.49358 5.22872 2.03819 -232.51251 444.13541
8030.0000 -237.48562 -232.32583 5.15979 2.03213 -232.63688 445.18262
8035.0000 -237.33386 -231.72304 5.61082 2.06934 -231.87309 461.02920
8040.0000 -237.03580 -231.54601 5.48980 2.08020 -231.65011 471.64427
8045.0000 -237.02978 -231.47204 5.55774 2.08494 -231.55273 478.64864
8050.0000 -236.83743 -231.33767 5.49976 2.09987 -231.24631 503.25602
8055.0000 -238.72255 -233.21943 5.50312 2.04071 -232.46060 455.54093
8060.0000 -238.51505 -233.21975 5.29530 1.99004 -233.50073 421.57793
8065.0000 -238.25710 -232.92311 5.33398 1.99016 -233.49830 426.43362
8070.0000 -238.19144 -232.80842 5.38303 2.04178 -232.43878 464.08428
8075.0000 -238.49474 -233.21658 5.27816 2.01695 -232.94844 438.34649
8080.0000 -238.09218 -232.95669 5.13550 2.00690 -233.15476 432.01956
8085.0000 -238.59726 -233.53020 5.06706 2.02274 -232.82954 450.76593
8090.0000 -237.93900 -232.56856 5.37044 2.01056 -233.07954 447.18395
8095.0000 -238.63812 -234.14421 4.49391 1.99244 -233.45161 435.64762
8100.0000 -238.25969 -233.47160 4.78809 1.94871 -234.34907 398.98569
8105.0000 -238.95956 -233.97642 4.98314 1.99083 -233.48462 429.34463
8110.0000 -239.00198 -233.43896 5.56302 1.99147 -233.47138 427.82262
8115.0000 -239.23780 -233.84010 5.39770 1.98167 -233.67254 424.29895
8120.0000 -239.09155 -233.52172 5.56983 1.95033 -234.31587 404.27887
8125.0000 -238.80276 -233.17514 5.62761 1.99111 -233.47889 437.02221
8130.0000 -238.51143 -232.94231 5.56912 2.00047 -233.28662 436.19959
8135.0000 -238.68194 -233.50302 5.17893 2.00959 -233.09952 454.53144
8140.0000 -239.18876 -234.32139 4.86736 1.96715 -233.97056 419.91406
8145.0000 -238.78759 -233.30213 5.48546 1.96105 -234.09588 410.07204
8150.0000 -237.95264 -232.32028 5.63237 2.00778 -233.13673 446.95092
8155.0000 -238.60400 -232.71484 5.88917 2.03375 -232.60355 460.02814
8160.0000 -238.49326 -233.23157 5.26169 2.00714 -233.14967 445.06547
8165.0000 -239.17893 -232.99768 6.18125 2.00483 -233.19712 441.99764
8170.0000 -238.39743 -232.87139 5.52604 2.04937 -232.28286 467.95509
8175.0000 -238.76542 -233.46499 5.30043 1.98688 -233.56555 428.86758
8180.0000 -238.69714 -233.66038 5.03676 1.99681 -233.36179 437.68620
8185.0000 -238.44291 -233.06620 5.37671 1.99007 -233.50016 424.92417
8190.0000 -239.31465 -233.39821 5.91644 1.99765 -233.34449 437.81089
8195.0000 -238.46769 -233.00519 5.46251 2.01764 -232.93417 455.18752
8200.0000 -238.04078 -233.09541 4.94537 2.01217 -233.04650 447.78108
8205.0000 -238.24526 -232.78641 5.45885 2.03661 -232.54486 453.75108
8210.0000 -237.80248 -232.17551 5.62697 2.05186 -232.23178 456.00001
8215.0000 -238.70182 -233.27197 5.42985 2.01307 -233.02795 442.24939
8220.0000 -238.65263 -232.88700 5.76563 2.00330 -233.22865 440.49625
8225.0000 -238.46349 -233.11567 5.34782 2.01594 -232.96909 447.90624
8230.0000 -237.95211 -233.15966 4.79244 1.99894 -233.31817 427.13105
8235.0000 -238.28418 -232.95679 5.32739 1.99740 -233.34979 437.70147
8240.0000 -238.41549 -232.76136 5.65413 2.01190 -233.05207 453.57240
8245.0000 -238.78404 -232.84547 5.93857 1.99577 -233.38313 439.24738
8250.0000 -238.92117 -233.79835 5.12282 2.01374 -233.01420 449.97388
FREEZING PROCESS: loop number 34 T-loop= 414.00000000000000
main_MD> interactions number 34 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.03600 0.26095 0.31677
force_rgl> df(natom) -1.36350 -1.95961 -1.58782
8255.0000 -239.34269 -234.00071 5.34198 1.95830 -234.15224 409.21025
8260.0000 -238.78048 -233.87550 4.90498 1.95533 -234.21330 407.30550
8265.0000 -238.27837 -233.43021 4.84816 2.00310 -233.23264 443.72071
8270.0000 -239.42483 -234.14232 5.28251 1.97143 -233.88288 424.57032
8275.0000 -238.47178 -233.03205 5.43973 1.98946 -233.51267 432.30148
8280.0000 -238.35531 -232.42763 5.92768 2.02058 -232.87387 457.62150
8285.0000 -238.15288 -233.39471 4.75818 2.01502 -232.98808 453.02302
8290.0000 -239.82044 -234.49999 5.32045 1.93861 -234.55643 398.10953
8295.0000 -239.25422 -234.26099 4.99323 1.94945 -234.33389 406.96214
8300.0000 -239.21976 -233.91706 5.30271 1.96919 -233.92886 423.74169
8305.0000 -239.01765 -233.84711 5.17054 1.98172 -233.67155 436.68683
8310.0000 -238.77527 -233.33395 5.44133 1.99755 -233.34672 445.67291
8315.0000 -237.87184 -233.48617 4.38566 1.98300 -233.64527 425.15364
8320.0000 -238.65421 -233.55434 5.09987 1.97488 -233.81201 421.06005
8325.0000 -239.07550 -234.45335 4.62215 1.97507 -233.80811 422.61905
8330.0000 -240.04339 -234.86460 5.17878 1.92406 -234.85521 387.22744
8335.0000 -239.12517 -234.11060 5.01458 1.95968 -234.12401 411.60703
8340.0000 -238.67883 -232.90657 5.77226 1.97677 -233.77313 426.66669
8345.0000 -239.09202 -233.67062 5.42140 1.98766 -233.54959 424.97390
8350.0000 -238.50722 -232.86205 5.64518 2.01226 -233.04474 442.56076
8355.0000 -237.88683 -232.71670 5.17013 2.01053 -233.08018 455.68647
8360.0000 -238.34717 -233.70362 4.64354 2.01648 -232.95810 453.78454
8365.0000 -238.48374 -234.19576 4.28798 1.95516 -234.21676 413.22993
8370.0000 -238.83172 -233.43033 5.40139 1.96122 -234.09239 413.73390
8375.0000 -238.72883 -233.89258 4.83625 1.97377 -233.83475 421.83216
8380.0000 -237.64655 -233.25986 4.38669 1.98522 -233.59963 428.10732
8385.0000 -239.33949 -234.24138 5.09811 1.98326 -233.63999 438.93521
8390.0000 -239.98118 -235.50701 4.47416 1.91971 -234.94441 390.10064
8395.0000 -239.67085 -234.92425 4.74659 1.89470 -235.45782 370.57910
8400.0000 -239.09290 -234.68114 4.41176 1.93791 -234.57091 403.63708
8405.0000 -239.86295 -234.58862 5.27433 1.92725 -234.78958 393.12381
8410.0000 -239.08499 -234.62898 4.45601 1.92511 -234.83361 382.16262
8415.0000 -239.57937 -234.88348 4.69590 1.92895 -234.75476 392.06029
8420.0000 -238.63083 -233.98951 4.64131 1.93141 -234.70421 390.56051
8425.0000 -239.19785 -233.40452 5.79332 1.97596 -233.78975 430.67028
8430.0000 -238.74071 -233.46808 5.27263 1.96499 -234.01490 428.26813
8435.0000 -239.01162 -233.75913 5.25249 2.00802 -233.13161 452.18810
8440.0000 -239.22197 -234.08845 5.13352 1.96612 -233.99185 423.16063
8445.0000 -239.06335 -232.66370 6.39965 1.95940 -234.12971 425.60911
8450.0000 -239.18871 -233.96399 5.22472 1.99712 -233.35538 446.03669
8455.0000 -239.39096 -234.54469 4.84628 1.95735 -234.17183 423.00150
8460.0000 -238.89901 -234.18959 4.70942 1.93527 -234.62499 400.83989
8465.0000 -239.41263 -234.97924 4.43339 1.95820 -234.15434 417.88756
8470.0000 -239.21911 -234.22246 4.99665 1.95552 -234.20927 417.73219
8475.0000 -238.65334 -234.21625 4.43709 1.96338 -234.04808 424.16844
8480.0000 -239.77630 -234.66701 5.10929 1.96866 -233.93964 426.00570
8485.0000 -239.18858 -234.25506 4.93352 1.92774 -234.77953 396.47102
8490.0000 -239.22647 -233.21116 6.01531 2.00585 -233.17616 453.10765
8495.0000 -238.62473 -232.71688 5.90785 2.00346 -233.22530 457.46934
8500.0000 -238.85935 -234.09800 4.76135 2.00561 -233.18119 457.11316
FREEZING PROCESS: loop number 35 T-loop= 389.00000000000000
main_MD> interactions number 35 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.60407 2.22121 0.30164
force_rgl> df(natom) -0.96873 0.81668 0.76527
8505.0000 -239.51391 -235.08609 4.42781 1.92873 -234.75936 399.69093
8510.0000 -239.78130 -235.15546 4.62584 1.90829 -235.17878 383.43555
8515.0000 -239.42241 -234.35799 5.06442 1.94071 -234.51340 405.81851
8520.0000 -239.99956 -234.64507 5.35450 1.96279 -234.06014 422.69794
8525.0000 -239.30114 -234.52596 4.77519 1.94307 -234.46486 408.08958
8530.0000 -239.23785 -234.52227 4.71558 1.95601 -234.19927 410.87290
8535.0000 -239.05127 -234.80922 4.24205 1.92423 -234.85165 385.68126
8540.0000 -240.19609 -235.60320 4.59289 1.89652 -235.42054 361.14135
8545.0000 -239.19309 -234.62950 4.56359 1.91683 -235.00351 381.87692
8550.0000 -239.67656 -234.78472 4.89184 1.91883 -234.96251 384.15009
8555.0000 -240.48518 -235.03938 5.44580 1.91678 -235.00459 383.38412
8560.0000 -240.00461 -235.27583 4.72878 1.89182 -235.51691 369.50988
8565.0000 -239.95883 -235.47329 4.48554 1.90768 -235.19140 374.34394
8570.0000 -239.49981 -234.30094 5.19887 1.92719 -234.79098 389.69229
8575.0000 -239.21451 -234.19291 5.02160 1.95021 -234.31843 408.89870
8580.0000 -239.51150 -234.39976 5.11174 1.94160 -234.49513 408.67434
8585.0000 -239.71129 -234.99281 4.71848 1.91934 -234.95194 386.80377
8590.0000 -239.50337 -234.94228 4.56109 1.93404 -234.65026 394.53322
8595.0000 -239.35752 -234.39258 4.96493 1.91195 -235.10367 380.49924
8600.0000 -239.54842 -234.74695 4.80147 1.93256 -234.68074 392.18425
8605.0000 -239.50063 -234.84644 4.65419 1.92332 -234.87023 390.76849
8610.0000 -240.50657 -235.80077 4.70580 1.90975 -235.14891 379.80116
8615.0000 -239.13507 -234.12304 5.01203 1.92003 -234.93785 384.93443
8620.0000 -239.77993 -234.88397 4.89596 1.93527 -234.62498 399.84094
8625.0000 -239.68274 -234.55466 5.12808 1.92788 -234.77665 393.26931
8630.0000 -239.39274 -235.20700 4.18574 1.93767 -234.57577 400.42245
8635.0000 -239.26699 -234.42255 4.84444 1.92391 -234.85827 391.15077
8640.0000 -240.07605 -235.24146 4.83459 1.95452 -234.22982 410.83744
8645.0000 -239.61275 -234.74717 4.86558 1.91824 -234.97467 383.92081
8650.0000 -239.24859 -234.48776 4.76083 1.92297 -234.87754 383.28762
8655.0000 -238.99679 -234.47999 4.51680 1.92731 -234.78838 381.54323
8660.0000 -239.19792 -235.24795 3.94996 1.93822 -234.56449 386.98819
8665.0000 -239.43151 -234.95858 4.47293 1.91689 -235.00242 367.81818
8670.0000 -239.78678 -234.91162 4.87515 1.93073 -234.71815 374.69105
8675.0000 -239.67111 -235.05682 4.61429 1.94660 -234.39240 389.98591
8680.0000 -239.18635 -234.71840 4.46796 1.94029 -234.52209 392.72919
8685.0000 -239.79111 -235.09238 4.69873 1.92747 -234.78518 379.47036
8690.0000 -239.43426 -235.10398 4.33028 1.89273 -235.49815 352.99675
8695.0000 -239.10750 -234.87621 4.23129 1.92317 -234.87346 376.62153
8700.0000 -239.61448 -234.46503 5.14945 1.92090 -234.91996 374.09980
8705.0000 -239.37913 -234.62759 4.75154 1.94477 -234.43009 395.70250
8710.0000 -239.40521 -234.95255 4.45266 1.90805 -235.18377 367.12739
8715.0000 -238.92939 -235.23058 3.69881 1.93090 -234.71475 383.00683
8720.0000 -239.43943 -234.85299 4.58644 1.91529 -235.03524 372.53529
8725.0000 -238.98181 -234.22974 4.75207 1.93210 -234.69011 382.84563
8730.0000 -238.72093 -233.85390 4.86703 1.96553 -234.00379 398.45628
8735.0000 -238.39197 -234.07964 4.31233 1.96477 -234.01949 404.52857
8740.0000 -239.60209 -235.15046 4.45162 1.92381 -234.86028 380.87905
8745.0000 -240.11137 -235.56329 4.54808 1.90687 -235.20803 379.70378
8750.0000 -239.84806 -235.10716 4.74090 1.89668 -235.41716 377.05099
FREEZING PROCESS: loop number 36 T-loop= 364.00000000000000
main_MD> interactions number 36 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.38166 -1.95619 0.23011
force_rgl> df(natom) 0.22041 -1.41677 -1.80715
8755.0000 -240.31303 -235.88009 4.43294 1.88164 -235.72590 360.50453
8760.0000 -240.22564 -236.14282 4.08282 1.90178 -235.31248 369.58687
8765.0000 -240.25951 -235.54334 4.71617 1.85334 -236.30684 330.92686
8770.0000 -239.57761 -235.31521 4.26240 1.87971 -235.76549 359.62571
8775.0000 -239.48469 -234.58932 4.89537 1.89380 -235.47638 372.24185
8780.0000 -240.07554 -235.27445 4.80109 1.91945 -234.94985 389.45895
8785.0000 -239.86200 -235.84717 4.01482 1.88766 -235.60241 367.12601
8790.0000 -239.60113 -235.74166 3.85947 1.88331 -235.69166 361.92832
8795.0000 -240.19206 -235.66828 4.52377 1.88753 -235.60505 362.72751
8800.0000 -240.06413 -235.39913 4.66500 1.88237 -235.71092 360.04861
8805.0000 -239.99454 -236.08753 3.90701 1.86687 -236.02902 350.54298
8810.0000 -240.08827 -235.90154 4.18672 1.88013 -235.75699 360.82891
8815.0000 -239.64933 -235.53605 4.11329 1.88227 -235.71289 363.02432
8820.0000 -240.37043 -236.39834 3.97209 1.84457 -236.48673 331.30112
8825.0000 -239.83489 -235.16797 4.66693 1.86355 -236.09728 348.46483
8830.0000 -240.13995 -235.93429 4.20566 1.88721 -235.61161 364.33391
8835.0000 -240.61204 -235.85273 4.75931 1.88090 -235.74117 363.51107
8840.0000 -240.56714 -236.34438 4.22277 1.86586 -236.04971 350.82295
8845.0000 -241.03211 -237.34465 3.68746 1.82616 -236.86463 316.86462
8850.0000 -240.38952 -236.60022 3.78929 1.81863 -237.01921 313.06932
8855.0000 -239.99337 -236.22796 3.76541 1.85319 -236.30978 339.25749
8860.0000 -240.40985 -235.48018 4.92968 1.87481 -235.86608 358.29153
8865.0000 -240.06198 -234.87276 5.18922 1.92538 -234.82813 398.08172
8870.0000 -240.29739 -236.30601 3.99139 1.87322 -235.89870 353.44683
8875.0000 -240.08750 -235.46147 4.62602 1.86540 -236.05923 346.86335
8880.0000 -239.68440 -235.02727 4.65713 1.90900 -235.16429 382.26693
8885.0000 -240.17344 -235.57489 4.59855 1.90518 -235.24277 383.46812
8890.0000 -239.98178 -235.84814 4.13364 1.88441 -235.66900 363.71386
8895.0000 -240.07852 -236.09080 3.98771 1.87681 -235.82507 357.36423
8900.0000 -239.76676 -235.70969 4.05707 1.87182 -235.92751 356.27678
8905.0000 -240.38587 -235.98252 4.40335 1.86181 -236.13288 348.66825
8910.0000 -239.91883 -235.56333 4.35550 1.88299 -235.69820 362.52229
8915.0000 -239.90144 -235.91314 3.98830 1.86766 -236.01277 349.56519
8920.0000 -240.14500 -235.96874 4.17626 1.86772 -236.01158 352.11877
8925.0000 -240.39664 -236.06080 4.33584 1.86263 -236.11617 345.55610
8930.0000 -239.85243 -235.69351 4.15893 1.86236 -236.12166 349.15047
8935.0000 -239.51747 -235.68040 3.83707 1.88536 -235.64953 366.80751
8940.0000 -240.37659 -235.30952 5.06707 1.89665 -235.41784 376.64399
8945.0000 -240.05059 -235.82795 4.22264 1.90494 -235.24758 382.93518
8950.0000 -239.57419 -235.50155 4.07264 1.87677 -235.82580 359.12797
8955.0000 -240.41339 -236.33406 4.07933 1.87144 -235.93536 353.45451
8960.0000 -240.15665 -235.89162 4.26504 1.88753 -235.60504 370.35912
8965.0000 -239.87871 -235.72210 4.15660 1.88987 -235.55701 370.44130
8970.0000 -240.48476 -236.12705 4.35771 1.87727 -235.81549 358.35257
8975.0000 -240.15080 -236.07764 4.07316 1.83913 -236.59844 327.86321
8980.0000 -240.21977 -235.45343 4.76633 1.87507 -235.86072 352.28492
8985.0000 -239.95696 -235.35862 4.59835 1.89313 -235.49012 365.28221
8990.0000 -240.00068 -235.44326 4.55742 1.91872 -234.96468 389.22373
8995.0000 -240.25427 -235.58802 4.66625 1.88816 -235.59199 367.82382
9000.0000 -239.80359 -235.59104 4.21255 1.87159 -235.93213 354.88620
FREEZING PROCESS: loop number 37 T-loop= 339.00000000000000
main_MD> interactions number 37 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.24888 0.59561 0.29760
force_rgl> df(natom) -1.36575 0.03278 -2.48745
9005.0000 -240.24749 -236.35377 3.89373 1.86247 -236.11935 344.26414
9010.0000 -240.70966 -236.59818 4.11148 1.84728 -236.43118 333.68457
9015.0000 -240.43348 -237.07375 3.35973 1.83631 -236.65642 326.01049
9020.0000 -240.73036 -237.25605 3.47430 1.81068 -237.18249 305.81321
9025.0000 -240.27855 -235.53418 4.74437 1.85114 -236.35202 337.18576
9030.0000 -239.85935 -235.56122 4.29813 1.89449 -235.46217 367.62643
9035.0000 -240.90488 -236.40573 4.49916 1.85533 -236.26604 332.19786
9040.0000 -240.37922 -236.14891 4.23031 1.87881 -235.78408 345.93305
9045.0000 -240.60056 -236.74265 3.85791 1.83745 -236.63292 317.91987
9050.0000 -240.36072 -236.36448 3.99624 1.85338 -236.30598 329.92836
9055.0000 -240.15431 -236.44994 3.70436 1.84021 -236.57639 324.26590
9060.0000 -239.99281 -236.32116 3.67165 1.85972 -236.17586 343.89896
9065.0000 -240.18678 -235.63456 4.55222 1.87279 -235.90761 345.80039
9070.0000 -240.72133 -236.26490 4.45643 1.87515 -235.85919 351.31642
9075.0000 -239.19283 -234.95328 4.23955 1.89256 -235.50169 368.45964
9080.0000 -240.35974 -236.26014 4.09960 1.89406 -235.47097 368.84302
9085.0000 -240.59606 -236.92825 3.66781 1.84826 -236.41113 335.63547
9090.0000 -240.21773 -236.08288 4.13485 1.85042 -236.36665 333.45483
9095.0000 -240.14385 -236.84327 3.30059 1.83541 -236.67475 319.18626
9100.0000 -240.41662 -236.32964 4.08698 1.84327 -236.51357 332.88752
9105.0000 -240.33748 -236.72549 3.61199 1.83937 -236.59358 328.14355
9110.0000 -240.60087 -236.40870 4.19217 1.82491 -236.89033 317.33038
9115.0000 -240.28805 -236.91212 3.37594 1.83154 -236.75435 320.03263
9120.0000 -240.69033 -236.48417 4.20617 1.83718 -236.63858 325.78773
9125.0000 -240.49908 -236.56993 3.92914 1.83383 -236.70722 323.31088
9130.0000 -240.31700 -236.18364 4.13336 1.84959 -236.38381 332.68738
9135.0000 -240.51472 -236.95574 3.55897 1.82596 -236.86887 315.02851
9140.0000 -240.63301 -236.93041 3.70260 1.82980 -236.79009 316.24725
9145.0000 -240.46972 -236.71863 3.75108 1.82917 -236.80286 317.71029
9150.0000 -241.25645 -237.12518 4.13127 1.81848 -237.02240 311.76523
9155.0000 -240.66799 -236.94161 3.72638 1.81669 -237.05904 311.39935
9160.0000 -240.14087 -235.62370 4.51717 1.84679 -236.44135 331.82292
9165.0000 -240.54997 -236.29756 4.25241 1.86327 -236.10300 345.42814
9170.0000 -240.15626 -236.13697 4.01930 1.86562 -236.05477 343.15366
9175.0000 -240.30985 -236.18738 4.12247 1.86259 -236.11697 348.29710
9180.0000 -240.51859 -236.34122 4.17737 1.84190 -236.54153 327.24105
9185.0000 -240.19444 -236.05194 4.14250 1.86902 -235.98494 350.07196
9190.0000 -240.71865 -236.67062 4.04803 1.85777 -236.21586 345.25577
9195.0000 -240.60564 -236.74376 3.86189 1.84054 -236.56963 329.38253
9200.0000 -240.72322 -237.18354 3.53968 1.81020 -237.19233 308.54236
9205.0000 -240.50255 -236.99751 3.50504 1.80357 -237.32852 301.64764
9210.0000 -240.11666 -236.15389 3.96277 1.83943 -236.59223 328.82752
9215.0000 -240.03690 -235.70400 4.33290 1.87087 -235.94702 349.54861
9220.0000 -239.93301 -235.71863 4.21437 1.88880 -235.57901 364.00813
9225.0000 -240.16693 -236.11002 4.05690 1.85258 -236.32240 335.59118
9230.0000 -240.45897 -236.28912 4.16985 1.85549 -236.26271 343.53391
9235.0000 -240.41495 -236.77021 3.64474 1.83255 -236.73358 318.87587
9240.0000 -240.44326 -236.17050 4.27277 1.85511 -236.27043 341.41037
9245.0000 -240.10951 -235.92552 4.18399 1.87487 -235.86489 353.87522
9250.0000 -240.68477 -236.83410 3.85067 1.84442 -236.48996 332.53584
FREEZING PROCESS: loop number 38 T-loop= 314.00000000000000
main_MD> interactions number 38 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46712 1.50753 -1.33456
force_rgl> df(natom) 1.98621 -1.32315 -0.04068
9255.0000 -240.69619 -237.13222 3.56397 1.82619 -236.86409 316.55773
9260.0000 -240.27659 -236.76629 3.51030 1.82578 -236.87257 317.36849
9265.0000 -240.73102 -236.82876 3.90227 1.84303 -236.51841 330.34628
9270.0000 -240.99632 -237.30625 3.69007 1.81718 -237.04914 307.90205
9275.0000 -240.34691 -236.84423 3.50268 1.81643 -237.06446 308.24875
9280.0000 -240.44644 -236.73449 3.71196 1.84089 -236.56236 329.84216
9285.0000 -240.80906 -236.87798 3.93107 1.82697 -236.84800 316.54441
9290.0000 -241.21913 -237.75643 3.46271 1.79862 -237.43002 296.42353
9295.0000 -241.10840 -237.60458 3.50382 1.78933 -237.62074 287.90403
9300.0000 -241.01240 -237.23820 3.77420 1.80681 -237.26185 303.17963
9305.0000 -240.59280 -237.42794 3.16486 1.80902 -237.21658 304.41251
9310.0000 -241.13565 -237.45016 3.68549 1.79800 -237.44273 297.07345
9315.0000 -240.91853 -236.61970 4.29884 1.79434 -237.51794 289.21069
9320.0000 -240.99372 -237.65757 3.33615 1.81769 -237.03864 311.68271
9325.0000 -240.38600 -236.78225 3.60375 1.81562 -237.08113 309.82486
9330.0000 -240.46117 -236.28680 4.17437 1.84097 -236.56077 331.78162
9335.0000 -240.55811 -236.80891 3.74919 1.83653 -236.65189 323.95508
9340.0000 -240.56147 -236.90802 3.65345 1.81822 -237.02776 311.74942
9345.0000 -239.94451 -236.41727 3.52723 1.84374 -236.50386 330.35738
9350.0000 -241.17820 -237.48593 3.69227 1.83681 -236.64607 325.24085
9355.0000 -241.41022 -238.30773 3.10249 1.78721 -237.66424 284.48751
9360.0000 -241.53081 -238.17103 3.35978 1.75670 -238.29049 267.04028
9365.0000 -240.57093 -236.69430 3.87662 1.79102 -237.58601 293.01221
9370.0000 -240.65026 -237.35059 3.29967 1.81663 -237.06035 313.64325
9375.0000 -240.97111 -237.14273 3.82837 1.81211 -237.15302 306.40272
9380.0000 -240.95652 -237.35040 3.60612 1.80242 -237.35206 299.70199
9385.0000 -240.64797 -237.11376 3.53421 1.80414 -237.31665 298.84755
9390.0000 -240.41446 -236.68492 3.72954 1.82259 -236.93808 313.80294
9395.0000 -240.85195 -237.13735 3.71460 1.81658 -237.06146 314.17852
9400.0000 -241.39838 -237.61262 3.78575 1.81130 -237.16980 307.09437
9405.0000 -240.91759 -237.41840 3.49918 1.78750 -237.65831 289.40697
9410.0000 -240.50576 -237.05938 3.44638 1.82549 -236.87846 317.74270
9415.0000 -240.53916 -237.11094 3.42821 1.81852 -237.02160 309.17949
9420.0000 -240.63645 -236.85685 3.77960 1.81903 -237.01106 310.45297
9425.0000 -240.51529 -236.74990 3.76539 1.82433 -236.90231 318.88934
9430.0000 -240.81318 -237.10872 3.70446 1.83878 -236.60575 328.81594
9435.0000 -240.51793 -237.21939 3.29855 1.80479 -237.30345 300.42667
9440.0000 -241.10331 -237.24975 3.85356 1.80386 -237.32254 300.43357
9445.0000 -241.21630 -237.82237 3.39393 1.81921 -237.00731 311.40158
9450.0000 -241.15251 -237.26440 3.88810 1.80239 -237.35271 299.99609
9455.0000 -240.72619 -237.40833 3.31786 1.80195 -237.36169 297.76539
9460.0000 -240.26748 -236.75300 3.51449 1.79925 -237.41709 292.28057
9465.0000 -241.04082 -236.98508 4.05574 1.82544 -236.87943 315.73367
9470.0000 -240.68010 -237.27024 3.40986 1.81804 -237.03144 308.28291
9475.0000 -240.57328 -236.83642 3.73686 1.80957 -237.20533 304.00269
9480.0000 -240.97150 -237.05530 3.91621 1.81268 -237.14149 302.64905
9485.0000 -240.82559 -237.02883 3.79676 1.82918 -236.80266 317.00949
9490.0000 -240.66774 -236.65938 4.00836 1.82587 -236.87074 316.34658
9495.0000 -240.31955 -235.86012 4.45942 1.85075 -236.36000 334.98843
9500.0000 -240.90797 -237.24047 3.66750 1.83970 -236.58684 332.28379
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 42.4049162 [s].
main_MD> Deallocating global variables
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