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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_82/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_82.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 = 82 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Size of nv and nvoiz: 82 8200
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 = 82
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> 9.2964344789842959E-003 -5.3966005324589100E-003 5.6890261106345562E-002 initial drift of cluster / NP1 for coalescence
init> 0.27218605404426882 0.31035877340380097 0.31633647584211994 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8636475073610616E-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) -1.30348 0.86415 0.31195
force_rgl> df(natom) -0.96491 0.68550 -0.43088
preparo> THERMALIZATION PROCESS AT 1288.7549679735437
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -182.46271088381218 10.400372679140554 -192.86308356295274 6.6751093771497572E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 39
FREEZING PROCESS: loop number 1 T-loop= 1270.0000000000000
main_MD> interactions number 1 at Temperature= 1270.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.89876 -0.04204 0.23399
force_rgl> df(natom) 0.78584 1.56176 1.99356
5.0000 -193.62961 -181.27309 12.35653 3.16847 -182.09663 1160.41855
10.0000 -194.17360 -180.71284 13.46075 3.37009 -178.29123 1260.53402
15.0000 -193.78122 -180.96759 12.81363 3.20863 -181.33862 1190.72417
20.0000 -193.61552 -178.16830 15.44722 3.41295 -177.48228 1319.54363
25.0000 -191.58652 -177.77603 13.81049 3.40318 -177.66664 1310.78381
30.0000 -194.17189 -180.01105 14.16084 3.35957 -178.48980 1283.27596
35.0000 -195.53051 -182.59839 12.93212 3.24840 -180.58797 1243.22706
40.0000 -194.67294 -183.07261 11.60033 3.16401 -182.18083 1159.94585
45.0000 -192.94464 -176.52950 16.41514 3.28576 -179.88289 1252.49071
50.0000 -195.77337 -182.43299 13.34038 3.33439 -178.96506 1252.63571
55.0000 -191.96949 -179.55942 12.41007 3.23003 -180.93475 1263.40075
60.0000 -193.64170 -180.03082 13.61088 3.26876 -180.20373 1198.56057
65.0000 -192.26328 -178.56737 13.69591 3.33665 -178.92234 1301.99016
70.0000 -192.05937 -175.91834 16.14103 3.41489 -177.44556 1360.97082
75.0000 -192.35798 -178.26368 14.09431 3.45111 -176.76197 1388.19200
80.0000 -194.08588 -181.05846 13.02741 3.27541 -180.07823 1251.23299
85.0000 -191.67606 -179.45844 12.21763 3.25922 -180.38375 1227.23214
90.0000 -194.29215 -180.61658 13.67557 3.31411 -179.34769 1244.02842
95.0000 -190.57139 -177.72162 12.84977 3.39167 -177.88380 1295.75028
100.0000 -193.31375 -177.83792 15.47583 3.39022 -177.91113 1263.65614
105.0000 -190.49879 -176.61611 13.88269 3.43947 -176.98169 1356.09060
110.0000 -191.84479 -177.75732 14.08747 3.47111 -176.38451 1347.11593
115.0000 -192.71835 -179.98446 12.73389 3.28389 -179.91822 1257.70975
120.0000 -193.35450 -179.49783 13.85668 3.26257 -180.32047 1252.91586
125.0000 -190.99448 -177.12492 13.86956 3.33837 -178.88983 1249.00488
130.0000 -190.40244 -178.67228 11.73016 3.33016 -179.04482 1274.04659
135.0000 -192.45475 -176.58084 15.87391 3.35197 -178.63325 1313.11965
140.0000 -190.76088 -176.37771 14.38318 3.47910 -176.23358 1383.47502
145.0000 -191.98486 -178.27672 13.70814 3.42362 -177.28089 1336.52312
150.0000 -193.92842 -180.54431 13.38411 3.34954 -178.67904 1284.39607
155.0000 -190.87670 -178.26855 12.60814 3.24035 -180.73987 1221.93115
160.0000 -193.26310 -180.09886 13.16423 3.30092 -179.59674 1268.05192
165.0000 -194.68322 -182.10961 12.57360 3.11969 -183.01735 1126.68919
170.0000 -190.16074 -175.52960 14.63115 3.31219 -179.38405 1275.96045
175.0000 -191.12088 -177.82851 13.29236 3.43997 -176.97221 1302.81717
180.0000 -190.46535 -175.24234 15.22301 3.46433 -176.51236 1345.03040
185.0000 -190.58426 -177.64745 12.93680 3.44075 -176.95742 1389.59851
190.0000 -190.92533 -177.77640 13.14893 3.39809 -177.76265 1302.26732
195.0000 -192.16184 -177.15634 15.00549 3.42994 -177.16144 1305.51415
200.0000 -194.46156 -180.82084 13.64072 3.31131 -179.40069 1276.46657
205.0000 -194.83450 -180.93295 13.90156 3.14276 -182.58194 1135.62423
210.0000 -194.76556 -183.31867 11.44689 3.16936 -182.07992 1173.04010
215.0000 -193.53474 -182.12855 11.40619 3.11952 -183.02063 1134.63030
220.0000 -194.40967 -182.74026 11.66940 3.14860 -182.47175 1140.66428
225.0000 -192.41248 -179.54111 12.87137 3.25514 -180.46079 1250.98306
230.0000 -193.97365 -179.15415 14.81950 3.34540 -178.75712 1284.07471
235.0000 -195.77522 -181.43356 14.34166 3.25859 -180.39564 1220.19200
240.0000 -193.41395 -180.36148 13.05247 3.16930 -182.08090 1177.60370
245.0000 -195.28653 -183.04122 12.24531 3.16217 -182.21558 1165.39264
250.0000 -194.29149 -182.18488 12.10661 3.12821 -182.85652 1129.58913
FREEZING PROCESS: loop number 2 T-loop= 1245.0000000000000
main_MD> interactions number 2 at Temperature= 1245.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07399 -0.12498 -0.27258
force_rgl> df(natom) 1.11192 -3.79706 -2.85326
255.0000 -193.95497 -182.05279 11.90218 3.12980 -182.82649 1144.82161
260.0000 -193.40910 -181.80293 11.60617 3.13431 -182.74134 1139.64079
265.0000 -195.35571 -183.81309 11.54262 3.16745 -182.11597 1155.55540
270.0000 -190.86213 -178.68288 12.17925 3.26922 -180.19510 1212.09240
275.0000 -194.64366 -180.51614 14.12752 3.33679 -178.91971 1272.95677
280.0000 -193.49969 -181.77697 11.72272 3.23249 -180.88822 1234.35752
285.0000 -192.31311 -180.64930 11.66382 3.20539 -181.39977 1162.19138
290.0000 -195.29714 -183.76539 11.53175 3.11487 -183.10837 1147.47073
295.0000 -194.74225 -181.50088 13.24137 3.11687 -183.07059 1130.06007
300.0000 -195.77397 -181.40030 14.37367 3.18522 -181.78056 1173.88421
305.0000 -195.44577 -183.24920 12.19657 3.19193 -181.65392 1201.25329
310.0000 -193.91832 -180.30382 13.61450 3.17801 -181.91652 1155.80481
315.0000 -191.77327 -179.24935 12.52392 3.28445 -179.90755 1247.99657
320.0000 -193.72726 -182.05811 11.66915 3.21552 -181.20865 1196.15170
325.0000 -194.09541 -180.53847 13.55694 3.20478 -181.41137 1150.50391
330.0000 -192.41650 -180.18315 12.23335 3.26497 -180.27532 1236.04205
335.0000 -191.83703 -181.71708 10.11994 3.22618 -181.00749 1171.61539
340.0000 -193.98706 -182.84524 11.14182 3.18386 -181.80619 1173.75854
345.0000 -192.83407 -179.82104 13.01303 3.22158 -181.09427 1193.97753
350.0000 -192.39638 -177.51796 14.87843 3.34684 -178.73007 1305.38731
355.0000 -192.69768 -180.06139 12.63630 3.31419 -179.34629 1260.14126
360.0000 -192.77559 -180.49478 12.28082 3.28257 -179.94313 1262.55086
365.0000 -191.01135 -178.86946 12.14189 3.24809 -180.59382 1223.12570
370.0000 -192.09580 -178.28100 13.81480 3.31705 -179.29225 1249.66299
375.0000 -193.05599 -178.07239 14.98360 3.40986 -177.54062 1309.51342
380.0000 -190.81104 -176.24740 14.56363 3.50384 -175.76668 1396.62610
385.0000 -190.80601 -175.53992 15.26609 3.57628 -174.39936 1451.78113
390.0000 -190.52269 -178.18783 12.33486 3.43960 -176.97925 1297.62271
395.0000 -192.22311 -178.12162 14.10149 3.39832 -177.75833 1293.10889
400.0000 -191.80029 -178.70678 13.09350 3.31703 -179.29259 1259.14943
405.0000 -189.03764 -176.06912 12.96852 3.34040 -178.85148 1256.92810
410.0000 -192.11231 -178.14485 13.96746 3.49544 -175.92528 1348.69782
415.0000 -192.50190 -177.04743 15.45447 3.39066 -177.90295 1319.56203
420.0000 -189.80574 -178.27165 11.53409 3.33370 -178.97809 1273.95281
425.0000 -195.19060 -181.03360 14.15700 3.29492 -179.71001 1264.87336
430.0000 -194.40489 -182.08827 12.31662 3.18473 -181.78983 1156.91750
435.0000 -192.69800 -180.76541 11.93259 3.15796 -182.29503 1163.64714
440.0000 -191.83490 -178.25326 13.58164 3.32752 -179.09459 1268.48203
445.0000 -193.89517 -181.60158 12.29359 3.27367 -180.11110 1259.91521
450.0000 -194.42844 -181.95085 12.47759 3.11162 -183.16968 1127.99547
455.0000 -194.13218 -181.30038 12.83181 3.19584 -181.58004 1209.12255
460.0000 -195.16041 -181.14566 14.01474 3.26178 -180.33550 1198.99638
465.0000 -193.41811 -180.32696 13.09114 3.22614 -181.00814 1202.80619
470.0000 -191.14291 -180.26220 10.88071 3.27955 -180.00016 1231.26289
475.0000 -193.26204 -178.89676 14.36528 3.26653 -180.24580 1242.82386
480.0000 -194.01980 -180.63168 13.38812 3.28057 -179.98088 1196.80180
485.0000 -190.49651 -176.42640 14.07011 3.34735 -178.72030 1296.16526
490.0000 -191.90662 -177.01516 14.89146 3.51638 -175.53003 1412.97790
495.0000 -193.43559 -179.52731 13.90828 3.34600 -178.74592 1272.87729
500.0000 -192.74949 -180.90307 11.84642 3.24733 -180.60827 1200.84375
FREEZING PROCESS: loop number 3 T-loop= 1220.0000000000000
main_MD> interactions number 3 at Temperature= 1220.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.93782 3.62570 -9.71342
force_rgl> df(natom) -0.15140 -0.28313 -1.92117
505.0000 -191.07034 -179.35507 11.71528 3.33723 -178.91145 1241.73251
510.0000 -192.31075 -178.29371 14.01704 3.32421 -179.15704 1253.43789
515.0000 -194.85682 -180.18348 14.67334 3.33252 -179.00027 1293.63858
520.0000 -193.77339 -181.68593 12.08745 3.24555 -180.64179 1230.69258
525.0000 -193.60623 -180.82628 12.77996 3.31048 -179.41620 1250.36196
530.0000 -192.90466 -179.43146 13.47320 3.32651 -179.11372 1249.92115
535.0000 -193.32986 -178.87606 14.45380 3.28821 -179.83652 1211.27677
540.0000 -194.08597 -180.41479 13.67118 3.32185 -179.20168 1240.07034
545.0000 -190.43528 -176.91552 13.51976 3.39141 -177.88882 1305.76079
550.0000 -192.04584 -179.64498 12.40086 3.40464 -177.63899 1295.58829
555.0000 -192.42962 -181.93666 10.49296 3.25677 -180.43008 1225.45489
560.0000 -193.11491 -182.90468 10.21023 3.19811 -181.53728 1204.59308
565.0000 -193.96490 -178.98137 14.98353 3.19763 -181.54630 1205.55823
570.0000 -191.96504 -177.98131 13.98374 3.31898 -179.25582 1291.98032
575.0000 -193.30519 -178.47753 14.82767 3.40672 -177.59981 1274.60422
580.0000 -195.65123 -180.94530 14.70593 3.31509 -179.32932 1251.79699
585.0000 -189.63966 -175.50508 14.13458 3.34815 -178.70536 1289.43721
590.0000 -189.41416 -176.27436 13.13980 3.47502 -176.31064 1357.79498
595.0000 -192.56854 -177.75647 14.81207 3.48602 -176.10309 1374.86727
600.0000 -194.92446 -181.70622 13.21823 3.25643 -180.43638 1233.05426
605.0000 -192.25997 -179.37109 12.88888 3.32314 -179.17725 1254.54862
610.0000 -192.74348 -178.86910 13.87438 3.26765 -180.22461 1210.16865
615.0000 -194.22948 -180.48825 13.74123 3.32944 -179.05846 1276.93354
620.0000 -192.67851 -181.29182 11.38669 3.14055 -182.62358 1154.50151
625.0000 -191.08184 -178.94714 12.13469 3.22816 -180.97005 1227.06715
630.0000 -193.14885 -178.50859 14.64026 3.36920 -178.30788 1268.16132
635.0000 -190.38143 -177.09263 13.28880 3.39253 -177.86755 1278.41480
640.0000 -193.23942 -177.03057 16.20885 3.38443 -178.02060 1311.65229
645.0000 -193.38098 -179.54291 13.83807 3.33316 -178.98814 1296.47270
650.0000 -191.31192 -178.04998 13.26194 3.31867 -179.26176 1271.58216
655.0000 -191.63887 -178.73327 12.90561 3.29014 -179.80010 1199.55282
660.0000 -192.39519 -179.88344 12.51175 3.31611 -179.31010 1232.65588
665.0000 -192.31072 -179.40432 12.90640 3.27717 -180.04502 1213.85549
670.0000 -190.38870 -176.69276 13.69594 3.33130 -179.02334 1279.59706
675.0000 -193.20817 -180.78867 12.41950 3.39420 -177.83609 1300.08085
680.0000 -193.60830 -180.67292 12.93538 3.24316 -180.68693 1195.68361
685.0000 -195.59318 -182.21562 13.37756 3.21865 -181.14950 1223.80702
690.0000 -196.15928 -184.08715 12.07214 3.06882 -183.97747 1099.86526
695.0000 -194.04437 -183.40471 10.63965 3.08925 -183.59186 1116.45688
700.0000 -194.92451 -184.26111 10.66341 3.04245 -184.47515 1109.20536
705.0000 -195.27089 -181.16946 14.10144 3.12651 -182.88856 1154.07416
710.0000 -193.94813 -183.98885 9.95928 3.21923 -181.13864 1171.46365
715.0000 -196.26069 -183.84877 12.41192 3.11803 -183.04872 1128.10237
720.0000 -193.46101 -181.28323 12.17778 3.15780 -182.29798 1134.77063
725.0000 -195.10830 -182.38745 12.72085 3.12679 -182.88334 1132.50658
730.0000 -194.47612 -179.58011 14.89601 3.23460 -180.84853 1225.13431
735.0000 -191.75159 -179.19372 12.55786 3.26549 -180.26546 1255.11465
740.0000 -188.49948 -175.66944 12.83003 3.49765 -175.88353 1380.88407
745.0000 -192.20041 -177.61063 14.58979 3.46989 -176.40749 1374.31913
750.0000 -192.50678 -176.36832 16.13846 3.46535 -176.49322 1338.92803
FREEZING PROCESS: loop number 4 T-loop= 1195.0000000000000
main_MD> interactions number 4 at Temperature= 1195.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.38566 -3.37868 1.31953
force_rgl> df(natom) -2.71883 2.53012 2.05336
755.0000 -190.03714 -176.04421 13.99292 3.45439 -176.70005 1327.26472
760.0000 -193.77432 -180.41838 13.35594 3.40232 -177.68286 1308.79764
765.0000 -192.88725 -181.02292 11.86433 3.16348 -182.19086 1150.78337
770.0000 -193.15212 -180.00989 13.14223 3.29924 -179.62838 1258.97852
775.0000 -192.72049 -180.44152 12.27897 3.27585 -180.06999 1254.11263
780.0000 -192.87039 -180.20640 12.66399 3.29010 -179.80096 1214.06475
785.0000 -194.50849 -181.17768 13.33081 3.29721 -179.66671 1248.59833
790.0000 -193.69583 -180.63832 13.05752 3.28531 -179.89136 1247.39414
795.0000 -194.02368 -181.55508 12.46860 3.19937 -181.51348 1197.00559
800.0000 -194.11568 -181.20376 12.91192 3.17860 -181.90551 1156.86016
805.0000 -193.06601 -180.77364 12.29237 3.23924 -180.76082 1248.25563
810.0000 -194.24719 -181.92121 12.32598 3.23814 -180.78163 1197.06021
815.0000 -192.17537 -180.78630 11.38907 3.22352 -181.05754 1204.34832
820.0000 -194.11049 -181.99914 12.11134 3.19149 -181.66220 1164.75877
825.0000 -193.17972 -180.24966 12.93006 3.25921 -180.38394 1223.45281
830.0000 -192.17141 -179.96323 12.20818 3.22056 -181.11356 1176.76803
835.0000 -191.20606 -175.52273 15.68332 3.33862 -178.88524 1276.70054
840.0000 -191.11317 -177.58499 13.52818 3.44000 -176.97166 1321.12532
845.0000 -193.41121 -180.84444 12.56677 3.34462 -178.77181 1249.17464
850.0000 -196.11134 -183.02284 13.08850 3.18666 -181.75333 1116.53682
855.0000 -194.25114 -182.69285 11.55829 3.06856 -183.98244 1107.97913
860.0000 -195.99052 -184.42038 11.57015 3.10660 -183.26440 1136.12470
865.0000 -195.55499 -181.46884 14.08615 3.12040 -183.00401 1157.65872
870.0000 -192.79168 -178.68774 14.10394 3.22254 -181.07619 1217.45267
875.0000 -193.00104 -179.52461 13.47643 3.30608 -179.49934 1236.61342
880.0000 -194.85561 -181.56811 13.28750 3.32088 -179.22000 1253.92809
885.0000 -194.75687 -181.77708 12.97978 3.19899 -181.52062 1180.66790
890.0000 -194.81906 -183.26192 11.55714 3.17376 -181.99687 1171.46178
895.0000 -194.77735 -182.94467 11.83268 3.17083 -182.05203 1166.70179
900.0000 -195.14999 -182.79660 12.35339 3.14040 -182.62654 1162.05684
905.0000 -194.64627 -182.04881 12.59746 3.14820 -182.47933 1141.14735
910.0000 -195.35478 -182.87294 12.48184 3.19153 -181.66136 1212.11936
915.0000 -195.95873 -183.78137 12.17736 3.02893 -184.73046 1097.13647
920.0000 -195.58091 -184.97709 10.60382 3.04485 -184.42994 1098.20646
925.0000 -194.37771 -183.27712 11.10060 3.04529 -184.42154 1093.09007
930.0000 -196.51013 -182.65719 13.85294 3.11743 -183.06000 1130.53256
935.0000 -194.27624 -180.79059 13.48565 3.17310 -182.00927 1152.31787
940.0000 -194.37278 -179.98576 14.38702 3.21985 -181.12694 1188.42356
945.0000 -193.01523 -180.45675 12.55848 3.27123 -180.15716 1243.45003
950.0000 -193.39399 -181.77944 11.61455 3.21465 -181.22509 1187.21387
955.0000 -194.39226 -181.50614 12.88612 3.17972 -181.88425 1168.15677
960.0000 -196.64759 -187.18518 9.46242 3.07111 -183.93420 1137.79703
965.0000 -196.68506 -183.80266 12.88239 2.97430 -185.76157 1048.70487
970.0000 -194.55013 -183.56399 10.98614 3.11136 -183.17454 1110.22745
975.0000 -197.06998 -185.02992 12.04006 3.07580 -183.84568 1125.95687
980.0000 -192.27689 -178.33327 13.94362 3.21316 -181.25322 1186.26189
985.0000 -193.17290 -181.01876 12.15413 3.37755 -178.15037 1262.50606
990.0000 -196.08028 -183.89587 12.18441 3.14239 -182.58890 1143.01626
995.0000 -194.11175 -182.60581 11.50594 3.06925 -183.96930 1091.49741
1000.0000 -193.57121 -181.77329 11.79792 3.13989 -182.63604 1155.59295
FREEZING PROCESS: loop number 5 T-loop= 1170.0000000000000
main_MD> interactions number 5 at Temperature= 1170.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91895 2.42215 0.58698
force_rgl> df(natom) -8.01246 6.04756 1.44980
1005.0000 -193.83142 -179.50108 14.33034 3.27246 -180.13394 1247.73122
1010.0000 -190.87564 -178.91279 11.96285 3.28004 -179.99089 1222.52797
1015.0000 -193.05196 -177.35409 15.69787 3.37325 -178.23148 1261.93172
1020.0000 -188.43197 -176.69768 11.73429 3.47534 -176.30460 1353.72403
1025.0000 -192.96989 -179.77496 13.19493 3.40457 -177.64036 1314.48937
1030.0000 -192.05666 -178.14435 13.91231 3.26050 -180.35964 1236.86968
1035.0000 -191.57789 -178.04026 13.53764 3.36019 -178.47795 1265.00012
1040.0000 -196.51100 -183.21650 13.29450 3.23702 -180.80279 1186.86969
1045.0000 -194.83244 -181.69406 13.13838 3.15648 -182.32288 1125.73205
1050.0000 -193.40838 -181.14518 12.26321 3.17655 -181.94424 1190.82875
1055.0000 -193.35494 -180.11535 13.23958 3.19314 -181.63107 1161.68888
1060.0000 -192.22731 -179.87199 12.35532 3.29789 -179.65392 1206.69321
1065.0000 -195.36592 -179.47515 15.89077 3.26348 -180.30331 1216.63778
1070.0000 -193.88802 -180.25443 13.63359 3.26302 -180.31213 1240.66735
1075.0000 -195.45386 -181.54213 13.91174 3.27191 -180.14426 1253.98251
1080.0000 -191.66404 -179.85549 11.80855 3.21701 -181.18042 1185.86336
1085.0000 -195.37584 -183.15269 12.22315 3.15117 -182.42322 1153.53177
1090.0000 -194.74004 -182.51681 12.22324 3.08628 -183.64792 1107.18716
1095.0000 -195.70933 -182.85831 12.85102 3.09514 -183.48073 1085.43807
1100.0000 -194.02198 -183.07821 10.94377 3.10917 -183.21584 1144.80942
1105.0000 -193.30039 -180.19817 13.10222 3.17411 -181.99022 1175.98563
1110.0000 -194.02307 -183.82504 10.19802 3.14005 -182.63307 1141.48135
1115.0000 -194.20127 -180.04037 14.16091 3.15281 -182.39222 1167.96363
1120.0000 -195.83436 -183.19766 12.63670 3.19180 -181.65635 1178.93973
1125.0000 -196.25455 -183.47846 12.77608 3.08082 -183.75092 1127.83647
1130.0000 -194.84267 -181.75106 13.09161 3.15151 -182.41677 1156.03071
1135.0000 -192.81008 -181.30254 11.50754 3.22108 -181.10367 1200.69916
1140.0000 -195.78180 -182.93953 12.84227 3.11808 -183.04767 1158.30356
1145.0000 -195.66470 -184.45372 11.21099 3.04274 -184.46970 1095.97574
1150.0000 -192.47058 -181.29102 11.17955 3.12139 -182.98528 1099.39247
1155.0000 -194.44281 -182.42675 12.01607 3.21310 -181.25429 1168.38651
1160.0000 -194.68398 -181.67252 13.01146 3.15464 -182.35770 1166.50395
1165.0000 -193.72901 -182.41163 11.31737 3.15047 -182.43645 1151.37759
1170.0000 -198.70444 -185.65819 13.04625 3.06748 -184.00283 1107.49013
1175.0000 -196.53230 -184.42965 12.10265 3.04331 -184.45898 1118.97473
1180.0000 -195.26537 -182.63881 12.62655 3.08080 -183.75140 1139.04136
1185.0000 -195.61349 -185.84361 9.76989 3.07876 -183.78984 1109.70997
1190.0000 -195.53516 -184.16893 11.36623 3.01278 -185.03531 1073.91780
1195.0000 -195.88403 -182.13120 13.75283 3.12711 -182.87727 1175.78069
1200.0000 -192.12556 -178.47742 13.64814 3.29726 -179.66579 1243.56003
1205.0000 -194.34249 -180.52358 13.81892 3.22329 -181.06196 1216.48447
1210.0000 -192.55107 -179.87976 12.67132 3.28755 -179.84913 1245.10827
1215.0000 -192.75658 -180.07162 12.68496 3.29878 -179.63711 1255.51110
1220.0000 -194.93835 -182.99596 11.94239 3.22452 -181.03870 1213.55864
1225.0000 -194.44167 -181.96410 12.47757 3.16386 -182.18369 1135.26812
1230.0000 -194.66255 -183.34209 11.32045 3.05620 -184.21561 1095.70310
1235.0000 -194.31710 -182.94330 11.37380 3.10867 -183.22531 1113.71296
1240.0000 -195.68397 -184.54338 11.14059 3.13419 -182.74374 1134.42682
1245.0000 -194.06981 -181.24115 12.82867 3.13435 -182.74073 1147.00734
1250.0000 -193.38998 -182.03034 11.35964 3.16173 -182.22384 1153.36974
FREEZING PROCESS: loop number 6 T-loop= 1145.0000000000000
main_MD> interactions number 6 at Temperature= 1145.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11178 2.39886 3.87980
force_rgl> df(natom) -8.06239 0.29691 -0.54188
1255.0000 -194.15935 -183.34718 10.81216 3.17344 -182.00289 1201.06153
1260.0000 -195.09811 -183.87733 11.22078 3.12281 -182.95853 1098.94742
1265.0000 -195.79988 -185.01126 10.78862 3.05244 -184.28668 1083.49474
1270.0000 -195.15575 -183.43392 11.72183 3.07953 -183.77530 1089.17659
1275.0000 -194.87650 -185.23956 9.63694 3.02882 -184.73248 1096.90935
1280.0000 -197.65064 -187.58677 10.06387 2.97210 -185.80305 1037.49714
1285.0000 -198.16440 -187.00853 11.15588 2.87238 -187.68523 967.59969
1290.0000 -197.84156 -185.42314 12.41842 2.94844 -186.24955 1033.49124
1295.0000 -194.53137 -182.54145 11.98992 3.06526 -184.04468 1123.27679
1300.0000 -196.60090 -184.96068 11.64022 3.13354 -182.75585 1145.13488
1305.0000 -195.13318 -182.52750 12.60568 3.08209 -183.72706 1120.20145
1310.0000 -196.19810 -183.62709 12.57101 3.13784 -182.67485 1141.32077
1315.0000 -195.70942 -183.27768 12.43175 3.12900 -182.84160 1136.38037
1320.0000 -195.63926 -183.63025 12.00901 3.13524 -182.72383 1150.13881
1325.0000 -194.15567 -181.78224 12.37343 3.13331 -182.76037 1140.49340
1330.0000 -195.57612 -182.19151 13.38461 3.19630 -181.57136 1169.49328
1335.0000 -196.01392 -182.25904 13.75488 3.15105 -182.42548 1181.62439
1340.0000 -193.23172 -180.71104 12.52067 3.21117 -181.29072 1191.24311
1345.0000 -195.00863 -182.41416 12.59448 3.17265 -182.01769 1171.33464
1350.0000 -196.14219 -183.45914 12.68305 3.11194 -183.16367 1150.17348
1355.0000 -194.60109 -183.10447 11.49662 3.16196 -182.21949 1142.58990
1360.0000 -194.16309 -182.40151 11.76158 3.12516 -182.91402 1119.21588
1365.0000 -193.64193 -181.04109 12.60084 3.20076 -181.48714 1184.91891
1370.0000 -195.46880 -181.41662 14.05218 3.20440 -181.41857 1222.14623
1375.0000 -193.29126 -182.06597 11.22529 3.21053 -181.30279 1178.07349
1380.0000 -195.52918 -183.05842 12.47076 3.18581 -181.76932 1190.79951
1385.0000 -195.98993 -184.50500 11.48494 3.10623 -183.27137 1119.98313
1390.0000 -194.68134 -184.61444 10.06690 3.07975 -183.77126 1127.48224
1395.0000 -194.25833 -182.79198 11.46635 3.11102 -183.18092 1122.94448
1400.0000 -192.83794 -180.35306 12.48488 3.19781 -181.54281 1208.21008
1405.0000 -193.56703 -182.11506 11.45197 3.17461 -181.98082 1149.72884
1410.0000 -191.35019 -179.90571 11.44448 3.22731 -180.98613 1170.79064
1415.0000 -191.80912 -179.41832 12.39080 3.24148 -180.71855 1236.13937
1420.0000 -195.38415 -184.04311 11.34104 3.19595 -181.57803 1153.04681
1425.0000 -195.23216 -182.08308 13.14908 3.08309 -183.70815 1064.79300
1430.0000 -193.92000 -179.26867 14.65133 3.28673 -179.86446 1248.49457
1435.0000 -190.07514 -176.75979 13.31535 3.38662 -177.97917 1296.68586
1440.0000 -192.73898 -179.69426 13.04473 3.41050 -177.52838 1298.93335
1445.0000 -195.30079 -184.27934 11.02145 3.20609 -181.38664 1159.73639
1450.0000 -195.29055 -183.51176 11.77879 3.07539 -183.85352 1037.54492
1455.0000 -198.71671 -187.18740 11.52931 2.99945 -185.28679 1062.19729
1460.0000 -196.42764 -185.80971 10.61793 2.98339 -185.58986 1043.88065
1465.0000 -195.47499 -184.61507 10.85992 2.92706 -186.65324 1003.41258
1470.0000 -193.93526 -180.40880 13.52646 3.17093 -182.05013 1156.87599
1475.0000 -191.71139 -179.33035 12.38104 3.34861 -178.69668 1296.31273
1480.0000 -192.95792 -180.83898 12.11894 3.21231 -181.26916 1181.72071
1485.0000 -194.84106 -182.73858 12.10248 3.13542 -182.72047 1133.35740
1490.0000 -195.41646 -182.41349 13.00297 3.21860 -181.15043 1223.15478
1495.0000 -195.82205 -181.12086 14.70119 3.14906 -182.46294 1179.65321
1500.0000 -191.87948 -178.57004 13.30943 3.28287 -179.93734 1228.18241
FREEZING PROCESS: loop number 7 T-loop= 1120.0000000000000
main_MD> interactions number 7 at Temperature= 1120.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.15793 1.87945 -2.87345
force_rgl> df(natom) -0.69127 -0.66646 2.95330
1505.0000 -192.94022 -180.70553 12.23469 3.27983 -179.99469 1214.23224
1510.0000 -192.90001 -179.80468 13.09533 3.24616 -180.63028 1206.59599
1515.0000 -193.25976 -181.79435 11.46542 3.19049 -181.68105 1202.34897
1520.0000 -191.24709 -178.97261 12.27448 3.21965 -181.13072 1216.30454
1525.0000 -195.63095 -182.12506 13.50589 3.21244 -181.26680 1163.27179
1530.0000 -193.61734 -183.00040 10.61694 3.04435 -184.43937 1097.67454
1535.0000 -195.42285 -183.47028 11.95257 3.06145 -184.11652 1096.75524
1540.0000 -194.60744 -183.72073 10.88671 3.09084 -183.56179 1100.14378
1545.0000 -194.71916 -183.43294 11.28622 3.13204 -182.78428 1127.93527
1550.0000 -195.33170 -184.58877 10.74293 3.14629 -182.51530 1147.74046
1555.0000 -195.62946 -184.02530 11.60416 3.09117 -183.55563 1132.74776
1560.0000 -196.48527 -184.79387 11.69139 3.09695 -183.44652 1103.48275
1565.0000 -196.58116 -185.71457 10.86658 3.08601 -183.65302 1078.65991
1570.0000 -195.24373 -184.89346 10.35026 3.00735 -185.13774 1056.42933
1575.0000 -194.66037 -183.83206 10.82830 3.05521 -184.23432 1120.90288
1580.0000 -195.03072 -180.58202 14.44870 3.19194 -181.65368 1190.59999
1585.0000 -195.52543 -182.52179 13.00364 3.12750 -182.86985 1119.60121
1590.0000 -193.08209 -181.32632 11.75577 3.20636 -181.38146 1201.63077
1595.0000 -196.50712 -183.29498 13.21214 3.15007 -182.44386 1168.38031
1600.0000 -193.02858 -180.25738 12.77120 3.18714 -181.74435 1177.14686
1605.0000 -193.11949 -180.99771 12.12178 3.24904 -180.57590 1189.35247
1610.0000 -195.63692 -182.20174 13.43517 3.20362 -181.43326 1178.15247
1615.0000 -195.76982 -183.41573 12.35409 3.11328 -183.13832 1137.42577
1620.0000 -195.08163 -183.78473 11.29690 3.04112 -184.50032 1073.41903
1625.0000 -195.91826 -184.10033 11.81793 3.07819 -183.80065 1111.08719
1630.0000 -194.53952 -182.44895 12.09057 3.08660 -183.64183 1108.71725
1635.0000 -196.41142 -184.19674 12.21467 3.13499 -182.72866 1124.82695
1640.0000 -195.72212 -183.66109 12.06103 3.02330 -184.83673 1072.09845
1645.0000 -196.16411 -182.73981 13.42430 3.14364 -182.56538 1157.15053
1650.0000 -193.68023 -180.98348 12.69675 3.20424 -181.42150 1152.77504
1655.0000 -198.48942 -186.48111 12.00831 3.02657 -184.77498 1081.93161
1660.0000 -198.03429 -185.68718 12.34711 2.95727 -186.08291 1053.91880
1665.0000 -198.02201 -187.13599 10.88602 2.94597 -186.29624 1017.38008
1670.0000 -196.14301 -184.75814 11.38487 2.97825 -185.68702 1030.72742
1675.0000 -195.55546 -184.85803 10.69742 3.02631 -184.77991 1041.13517
1680.0000 -194.47564 -183.90697 10.56867 3.05521 -184.23429 1079.36175
1685.0000 -196.91229 -185.18664 11.72565 3.07451 -183.87010 1111.37493
1690.0000 -194.50010 -184.49257 10.00753 3.02463 -184.81147 1076.92145
1695.0000 -194.07377 -184.25424 9.81952 3.07726 -183.81828 1142.06393
1700.0000 -194.78561 -181.84587 12.93974 3.06480 -184.05345 1093.41989
1705.0000 -198.51104 -188.26781 10.24322 2.98392 -185.57987 1034.01394
1710.0000 -195.84977 -184.22128 11.62849 3.00651 -185.15365 1094.71225
1715.0000 -195.45363 -182.51409 12.93953 3.11833 -183.04311 1145.77253
1720.0000 -194.96615 -184.78147 10.18468 3.10113 -183.36771 1125.76736
1725.0000 -196.98687 -185.46398 11.52289 2.98837 -185.49604 1042.66598
1730.0000 -195.63974 -184.78589 10.85385 3.06056 -184.13346 1097.19845
1735.0000 -195.28060 -184.33658 10.94402 3.00211 -185.23658 1060.94864
1740.0000 -193.55226 -182.62867 10.92359 3.10305 -183.33144 1126.94936
1745.0000 -193.98654 -179.56808 14.41846 3.21631 -181.19368 1189.88351
1750.0000 -194.36419 -179.82377 14.54042 3.30992 -179.42693 1241.16289
FREEZING PROCESS: loop number 8 T-loop= 1095.0000000000000
main_MD> interactions number 8 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.25176 -2.48061 3.75787
force_rgl> df(natom) -1.88530 -0.41054 -0.22484
1755.0000 -194.08650 -182.53248 11.55403 3.23033 -180.92912 1223.20508
1760.0000 -195.23485 -182.08480 13.15005 3.16356 -182.18934 1157.15712
1765.0000 -193.53751 -181.62479 11.91272 3.11774 -183.05417 1145.63330
1770.0000 -193.83408 -183.49611 10.33797 3.06031 -184.13820 1079.64050
1775.0000 -194.16735 -181.77425 12.39310 3.11793 -183.05057 1115.19050
1780.0000 -193.93009 -181.65946 12.27063 3.21293 -181.25757 1187.22532
1785.0000 -192.96705 -180.56375 12.40331 3.26693 -180.23820 1216.61807
1790.0000 -195.41504 -184.02728 11.38777 3.08767 -183.62170 1094.41311
1795.0000 -197.02129 -185.74388 11.27741 2.99749 -185.32387 1087.02409
1800.0000 -194.28642 -182.64449 11.64193 3.03065 -184.69791 1088.13961
1805.0000 -196.60797 -184.35419 12.25378 3.06803 -183.99233 1130.52535
1810.0000 -193.71673 -181.50266 12.21407 3.09002 -183.57739 1121.16791
1815.0000 -196.58001 -185.42976 11.15026 3.10367 -183.31972 1121.98190
1820.0000 -197.69311 -186.56115 11.13196 2.89490 -187.26008 975.69289
1825.0000 -196.95265 -185.16956 11.78310 2.91066 -186.96271 1004.04034
1830.0000 -195.79373 -183.74395 12.04978 3.00751 -185.13463 1082.90451
1835.0000 -194.71339 -185.34831 9.36508 3.03951 -184.53066 1076.53946
1840.0000 -195.81140 -185.41949 10.39191 3.00364 -185.20775 1066.02068
1845.0000 -197.97696 -186.52192 11.45504 2.97802 -185.69131 1064.59614
1850.0000 -196.37074 -185.05610 11.31464 2.93223 -186.55563 1012.52105
1855.0000 -196.22657 -183.24589 12.98068 3.04540 -184.41945 1080.50607
1860.0000 -197.28415 -187.26871 10.01544 2.98121 -185.63115 1031.61880
1865.0000 -195.35992 -185.66630 9.69361 2.91363 -186.90667 1016.03767
1870.0000 -195.24375 -183.46247 11.78127 2.99049 -185.45603 1052.20998
1875.0000 -194.89904 -181.97680 12.92225 3.19037 -181.68328 1143.45564
1880.0000 -195.04144 -184.26797 10.77347 3.06944 -183.96587 1119.93687
1885.0000 -193.93189 -183.97080 9.96109 3.04588 -184.41050 1085.85989
1890.0000 -194.09446 -181.39987 12.69459 3.10417 -183.31026 1118.70255
1895.0000 -194.93455 -183.49362 11.44093 3.14914 -182.46158 1110.75462
1900.0000 -193.92182 -182.28542 11.63639 3.11531 -183.09994 1118.95504
1905.0000 -197.12248 -186.41699 10.70549 3.10537 -183.28771 1124.35244
1910.0000 -195.99406 -185.21384 10.78022 2.93762 -186.45386 982.56018
1915.0000 -195.60202 -185.13947 10.46255 3.00278 -185.22400 1059.92481
1920.0000 -196.29191 -183.77930 12.51262 3.06659 -184.01960 1104.11148
1925.0000 -195.38288 -183.76410 11.61877 3.06181 -184.10980 1107.99823
1930.0000 -195.84903 -182.38068 13.46834 3.12993 -182.82414 1152.23407
1935.0000 -195.11566 -183.05966 12.05600 3.13348 -182.75709 1134.83071
1940.0000 -194.17695 -182.63290 11.54406 3.16849 -182.09621 1162.98861
1945.0000 -195.01334 -183.03464 11.97870 3.14042 -182.62602 1099.94004
1950.0000 -195.14028 -184.42895 10.71133 3.06790 -183.99490 1043.47759
1955.0000 -196.30823 -183.58830 12.71993 3.08433 -183.68484 1056.63926
1960.0000 -196.98773 -185.32769 11.66005 3.07117 -183.93323 1064.42698
1965.0000 -195.34307 -184.58494 10.75813 3.01092 -185.07042 1057.65591
1970.0000 -194.73751 -182.66195 12.07556 3.11279 -183.14758 1128.58668
1975.0000 -194.73862 -182.06044 12.67818 3.12767 -182.86674 1146.69118
1980.0000 -194.20523 -182.53168 11.67356 3.10797 -183.23865 1107.03218
1985.0000 -196.61446 -184.49823 12.11623 3.08300 -183.70978 1085.94555
1990.0000 -195.88744 -186.69470 9.19273 3.01027 -185.08258 1075.30078
1995.0000 -194.80763 -184.61458 10.19305 3.00281 -185.22336 1031.41778
2000.0000 -197.40607 -186.31990 11.08617 2.96278 -185.97894 1052.38050
FREEZING PROCESS: loop number 9 T-loop= 1070.0000000000000
main_MD> interactions number 9 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.05395 1.24492 1.16862
force_rgl> df(natom) -0.28182 -1.23592 1.36551
2005.0000 -196.93538 -185.60568 11.32970 2.94467 -186.32076 1028.57499
2010.0000 -198.25050 -186.56201 11.68849 2.95457 -186.13387 1041.41729
2015.0000 -199.36624 -189.33151 10.03473 2.80630 -188.93240 903.02126
2020.0000 -198.55901 -188.23141 10.32760 2.77636 -189.49753 925.29374
2025.0000 -195.51657 -184.74210 10.77447 2.91419 -186.89606 1014.10184
2030.0000 -195.76489 -184.11868 11.64621 3.03420 -184.63085 1061.27804
2035.0000 -195.13261 -181.97365 13.15897 3.13101 -182.80368 1150.23842
2040.0000 -196.16853 -185.00148 11.16705 3.14021 -182.63009 1147.05898
2045.0000 -195.53721 -183.78000 11.75721 3.07125 -183.93160 1114.36572
2050.0000 -196.03110 -187.10806 8.92303 3.04346 -184.45621 1068.13990
2055.0000 -196.40878 -185.27692 11.13186 3.00345 -185.21139 1059.85822
2060.0000 -196.34579 -184.28162 12.06418 3.09540 -183.47573 1096.48595
2065.0000 -200.18797 -187.78399 12.40398 2.93854 -186.43651 1012.93617
2070.0000 -196.90182 -184.07384 12.82798 3.00395 -185.20194 1083.90165
2075.0000 -195.42574 -184.10042 11.32532 3.03548 -184.60686 1062.76234
2080.0000 -197.38335 -185.53969 11.84366 3.02398 -184.82384 1060.11189
2085.0000 -197.75328 -184.91523 12.83805 2.99123 -185.44192 1056.15353
2090.0000 -197.60574 -186.44717 11.15857 3.02717 -184.76360 1095.30355
2095.0000 -194.03460 -183.12277 10.91183 3.03461 -184.62322 1047.37048
2100.0000 -196.76441 -183.23103 13.53338 3.16086 -182.24025 1153.55342
2105.0000 -197.47759 -185.38471 12.09288 3.08176 -183.73319 1131.08199
2110.0000 -196.05152 -185.51141 10.54011 2.96809 -185.87865 1046.13470
2115.0000 -198.07584 -185.10689 12.96895 3.00080 -185.26139 1053.23333
2120.0000 -194.03021 -181.65741 12.37280 3.08121 -183.74371 1107.21270
2125.0000 -195.81690 -183.40880 12.40810 3.14685 -182.50469 1153.21899
2130.0000 -196.25300 -185.48485 10.76815 3.03860 -184.54794 1093.44099
2135.0000 -198.86288 -189.21495 9.64792 2.89284 -187.29897 1005.11401
2140.0000 -197.46358 -187.35008 10.11350 2.84153 -188.26742 960.91954
2145.0000 -197.47262 -186.64030 10.83232 2.92237 -186.74165 1017.47931
2150.0000 -196.41207 -183.17316 13.23891 2.99941 -185.28755 1079.73612
2155.0000 -194.51652 -184.49313 10.02339 2.99775 -185.31888 1047.79816
2160.0000 -192.60010 -180.97693 11.62317 3.14922 -182.46003 1100.64590
2165.0000 -195.99442 -184.32725 11.66718 3.18982 -181.69360 1179.67839
2170.0000 -195.85701 -183.79771 12.05930 3.03363 -184.64174 1094.15940
2175.0000 -192.55137 -181.50675 11.04461 3.15504 -182.35020 1159.84416
2180.0000 -194.34648 -183.11653 11.22995 3.16878 -182.09074 1159.65310
2185.0000 -197.84105 -185.17154 12.66952 2.99156 -185.43579 1067.06069
2190.0000 -196.73117 -184.99787 11.73330 3.02585 -184.78846 1109.67109
2195.0000 -195.17775 -183.87047 11.30727 3.02438 -184.81621 1070.07500
2200.0000 -195.74158 -183.70532 12.03626 3.05331 -184.27016 1096.26859
2205.0000 -196.65535 -186.24046 10.41489 3.03133 -184.68519 1052.07204
2210.0000 -197.04613 -185.78646 11.25966 2.93026 -186.59284 1001.50612
2215.0000 -196.02202 -185.75923 10.26279 3.02502 -184.80423 1074.08213
2220.0000 -197.30695 -185.71653 11.59042 2.91265 -186.92516 1006.36781
2225.0000 -195.22183 -183.26527 11.95656 3.01524 -184.98884 1083.87665
2230.0000 -195.44433 -184.14937 11.29496 3.07280 -183.90233 1076.30874
2235.0000 -195.85108 -184.21945 11.63163 3.06749 -184.00255 1069.19357
2240.0000 -195.54517 -185.30728 10.23790 3.06194 -184.10740 1104.02890
2245.0000 -196.31737 -183.85256 12.46481 3.07333 -183.89237 1119.84915
2250.0000 -195.47404 -184.85016 10.62388 3.04880 -184.35531 1093.04451
FREEZING PROCESS: loop number 10 T-loop= 1045.0000000000000
main_MD> interactions number 10 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.74752 -1.03885 -2.96445
force_rgl> df(natom) -4.78173 7.41433 -0.45681
2255.0000 -196.44307 -185.43703 11.00605 3.01059 -185.07657 1014.77433
2260.0000 -195.42171 -184.91972 10.50199 2.96820 -185.87665 1027.56914
2265.0000 -196.59896 -186.08016 10.51880 2.97611 -185.72729 1014.77440
2270.0000 -196.82111 -187.71903 9.10209 2.91359 -186.90746 1001.97446
2275.0000 -197.83452 -187.37048 10.46404 2.90220 -187.12244 977.01873
2280.0000 -196.58528 -186.79392 9.79136 2.90680 -187.03549 990.75278
2285.0000 -195.91292 -184.60179 11.31113 2.98353 -185.58724 1046.50209
2290.0000 -196.96423 -187.03229 9.93194 2.98307 -185.59597 1064.99313
2295.0000 -197.73098 -186.59972 11.13127 2.94874 -186.24391 1028.30822
2300.0000 -195.55347 -185.47116 10.08231 2.92232 -186.74257 998.91346
2305.0000 -196.80608 -187.53913 9.26695 2.94410 -186.33153 999.36707
2310.0000 -195.60472 -184.88066 10.72406 2.95131 -186.19536 1029.88985
2315.0000 -194.28250 -181.52698 12.75552 3.10834 -183.23160 1144.24342
2320.0000 -196.32342 -184.70268 11.62074 3.17409 -181.99066 1154.11025
2325.0000 -196.71860 -185.45687 11.26173 3.00508 -185.18060 1067.31715
2330.0000 -196.10436 -184.10440 11.99996 3.05234 -184.28847 1112.58485
2335.0000 -194.81013 -183.93102 10.87911 3.04938 -184.34438 1081.73855
2340.0000 -193.12704 -181.84388 11.28316 3.12959 -182.83055 1108.29485
2345.0000 -196.60279 -187.34112 9.26167 3.05695 -184.20160 1096.30950
2350.0000 -196.13633 -183.26349 12.87284 2.95317 -186.16025 1014.79575
2355.0000 -196.05136 -184.71596 11.33539 3.04220 -184.47990 1064.73703
2360.0000 -195.42511 -183.90381 11.52130 3.06013 -184.14156 1092.64465
2365.0000 -197.86121 -187.90244 9.95876 2.92722 -186.65018 1033.11194
2370.0000 -197.65184 -186.75640 10.89544 2.87657 -187.60615 986.73662
2375.0000 -197.27040 -187.82855 9.44185 2.89213 -187.31249 1003.11625
2380.0000 -195.93551 -185.40959 10.52592 2.91954 -186.79517 987.76758
2385.0000 -196.09641 -185.20184 10.89457 2.99858 -185.30323 1039.48957
2390.0000 -198.77061 -187.30057 11.47003 2.97000 -185.84269 1045.42108
2395.0000 -196.49690 -186.22536 10.27154 2.92967 -186.60391 1000.64212
2400.0000 -198.34499 -187.00009 11.34491 2.92079 -186.77149 1015.38508
2405.0000 -196.94003 -186.34952 10.59051 2.91913 -186.80273 1006.93907
2410.0000 -197.73452 -188.34598 9.38854 2.90115 -187.14213 993.35600
2415.0000 -197.68989 -185.93159 11.75830 2.85947 -187.92895 1009.04186
2420.0000 -198.23322 -185.29298 12.94025 2.95246 -186.17368 1045.65563
2425.0000 -195.15992 -185.82365 9.33627 2.97816 -185.68858 1066.20084
2430.0000 -195.83325 -183.73977 12.09347 3.11207 -183.16123 1110.85021
2435.0000 -196.80818 -186.26685 10.54133 3.01538 -184.98623 1043.69017
2440.0000 -198.02338 -188.32747 9.69591 2.88048 -187.53233 961.34390
2445.0000 -199.33917 -189.22778 10.11139 2.81929 -188.68732 942.95133
2450.0000 -197.30574 -187.40971 9.89604 2.85159 -188.07769 976.88602
2455.0000 -196.08023 -185.67288 10.40735 2.91092 -186.95776 1007.22247
2460.0000 -197.14717 -187.80987 9.33730 2.91474 -186.88570 1016.94354
2465.0000 -196.11687 -185.40311 10.71377 2.91975 -186.79115 981.40583
2470.0000 -197.76580 -186.40666 11.35914 2.97673 -185.71559 1045.24445
2475.0000 -197.46642 -186.84505 10.62137 2.92644 -186.66485 1030.05010
2480.0000 -199.29299 -188.14150 11.15149 2.93258 -186.54890 1000.90932
2485.0000 -194.71232 -185.18063 9.53169 2.94079 -186.39396 1000.16289
2490.0000 -196.21106 -185.92871 10.28235 3.03899 -184.54043 1047.34978
2495.0000 -195.43841 -184.50876 10.92965 2.98751 -185.51211 1044.34664
2500.0000 -195.39820 -185.71931 9.67889 2.99666 -185.33952 1060.11222
FREEZING PROCESS: loop number 11 T-loop= 1020.0000000000000
main_MD> interactions number 11 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.06689 1.66048 0.91240
force_rgl> df(natom) -2.75982 -0.47692 0.78439
2505.0000 -196.56094 -185.21268 11.34826 2.96489 -185.93918 1030.68729
2510.0000 -196.57325 -185.91891 10.65434 2.94779 -186.26185 1029.38929
2515.0000 -199.04592 -188.47526 10.57066 2.86588 -187.80791 991.73627
2520.0000 -197.55090 -186.16401 11.38689 2.90545 -187.06103 983.23277
2525.0000 -198.21000 -186.61645 11.59355 2.95507 -186.12455 1029.70971
2530.0000 -196.34664 -184.52398 11.82266 3.03339 -184.64626 1107.22706
2535.0000 -196.70343 -185.33337 11.37006 2.99098 -185.44663 1021.86656
2540.0000 -195.80919 -184.20118 11.60802 3.07682 -183.82648 1099.78689
2545.0000 -194.09560 -181.72889 12.36671 3.11509 -183.10411 1131.59474
2550.0000 -196.75673 -184.47514 12.28158 3.12004 -183.01083 1156.24374
2555.0000 -195.38413 -184.54470 10.83942 3.05013 -184.33021 1078.93151
2560.0000 -198.76428 -188.69722 10.06706 2.88590 -187.43010 954.15706
2565.0000 -196.83062 -185.84599 10.98463 2.92086 -186.77019 996.88674
2570.0000 -198.62573 -188.14142 10.48431 2.88330 -187.47912 1011.79815
2575.0000 -196.64389 -186.64278 10.00111 2.90052 -187.15399 985.54273
2580.0000 -196.14969 -184.93960 11.21008 2.95914 -186.04761 1014.61719
2585.0000 -197.47297 -187.11261 10.36036 2.94769 -186.26378 1020.88376
2590.0000 -197.59721 -186.43558 11.16162 2.93121 -186.57485 1037.38570
2595.0000 -197.73768 -185.98414 11.75355 3.00115 -185.25474 1050.45373
2600.0000 -198.13700 -187.63958 10.49742 2.92489 -186.69411 986.63537
2605.0000 -197.57087 -187.53287 10.03801 2.89894 -187.18395 965.82410
2610.0000 -197.54225 -188.03108 9.51117 2.90579 -187.05453 980.00847
2615.0000 -196.81681 -187.79376 9.02305 2.88639 -187.42074 992.13119
2620.0000 -197.75198 -187.00373 10.74825 2.88184 -187.50665 980.50476
2625.0000 -196.71288 -186.06064 10.65224 2.94482 -186.31790 1014.91468
2630.0000 -197.29043 -187.68548 9.60495 2.98181 -185.61972 1055.08588
2635.0000 -196.53830 -184.77481 11.76349 2.92001 -186.78630 984.24451
2640.0000 -196.76509 -186.08018 10.68490 2.96007 -186.03018 1038.32730
2645.0000 -199.04409 -186.87430 12.16979 2.94105 -186.38913 1034.82311
2650.0000 -195.64730 -184.76262 10.88468 2.95909 -186.04858 1071.41701
2655.0000 -195.42158 -185.56245 9.85913 2.98296 -185.59806 1044.38094
2660.0000 -196.85994 -186.28337 10.57657 2.91258 -186.92639 988.31318
2665.0000 -197.75264 -186.10577 11.64688 2.92634 -186.66669 992.94458
2670.0000 -196.33182 -185.45635 10.87547 3.00995 -185.08855 1041.16230
2675.0000 -197.95660 -187.87389 10.08271 2.97256 -185.79430 1052.19541
2680.0000 -196.30876 -185.81598 10.49277 2.95088 -186.20362 1012.26433
2685.0000 -197.01263 -185.59843 11.41420 2.95166 -186.18885 1019.96536
2690.0000 -198.51133 -188.61883 9.89250 2.90160 -187.13370 976.61644
2695.0000 -197.03372 -187.51032 9.52340 2.88785 -187.39313 1007.67262
2700.0000 -195.74321 -184.43560 11.30760 2.92987 -186.60018 1025.67147
2705.0000 -193.63710 -182.82133 10.81577 3.04259 -184.47259 1098.85459
2710.0000 -196.88072 -184.48010 12.40062 3.13918 -182.64951 1124.08285
2715.0000 -198.71857 -185.60449 13.11408 3.09369 -183.50800 1121.03832
2720.0000 -197.45474 -187.71644 9.73830 2.89379 -187.28106 989.85795
2725.0000 -196.17973 -185.14693 11.03279 2.93389 -186.52432 1022.51613
2730.0000 -197.20713 -184.98909 12.21804 3.08067 -183.75382 1102.27894
2735.0000 -199.59832 -189.86746 9.73086 2.97692 -185.71205 1053.26680
2740.0000 -197.72649 -188.09535 9.63114 2.80307 -188.99337 918.25890
2745.0000 -197.93818 -187.95126 9.98692 2.85719 -187.97189 943.02197
2750.0000 -198.49320 -186.50703 11.98617 2.92648 -186.66405 1014.17249
FREEZING PROCESS: loop number 12 T-loop= 995.00000000000000
main_MD> interactions number 12 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.58035 0.27747 2.37905
force_rgl> df(natom) -1.19535 4.84187 -3.73354
2755.0000 -195.86963 -187.31981 8.54983 2.90161 -187.13357 969.56864
2760.0000 -192.74578 -181.40773 11.33805 3.07139 -183.92897 1070.63708
2765.0000 -195.91108 -183.62517 12.28591 3.13439 -182.73986 1153.58924
2770.0000 -196.17004 -185.36530 10.80474 3.00736 -185.13762 1076.84005
2775.0000 -198.44704 -186.96025 11.48679 2.94675 -186.28157 1023.61892
2780.0000 -199.44299 -188.31492 11.12807 2.83415 -188.40669 951.89335
2785.0000 -197.61844 -186.28128 11.33716 2.89666 -187.22699 1003.60862
2790.0000 -198.28227 -185.84144 12.44083 2.98902 -185.48361 1065.58354
2795.0000 -194.59283 -184.84664 9.74619 2.98939 -185.47672 1035.87106
2800.0000 -196.38355 -186.77053 9.61303 2.98274 -185.60226 1044.04147
2805.0000 -198.15562 -187.51607 10.63955 2.92820 -186.63154 1013.79852
2810.0000 -197.83428 -186.45793 11.37634 2.91532 -186.87482 992.34712
2815.0000 -197.04420 -186.16113 10.88307 2.91033 -186.96885 999.14531
2820.0000 -198.11373 -187.26085 10.85287 2.87195 -187.69342 965.34263
2825.0000 -197.14646 -186.70840 10.43806 2.94642 -186.28778 1033.31943
2830.0000 -198.12021 -187.28142 10.83879 2.94215 -186.36834 1022.63594
2835.0000 -197.89570 -186.29845 11.59726 2.92705 -186.65338 1005.05815
2840.0000 -199.01833 -187.01695 12.00137 2.96924 -185.85697 1046.50577
2845.0000 -198.32877 -187.94092 10.38785 2.87769 -187.58493 994.31207
2850.0000 -197.24763 -187.97755 9.27008 2.87789 -187.58126 991.77934
2855.0000 -198.12335 -188.17649 9.94686 2.93743 -186.45751 1016.94007
2860.0000 -195.69362 -184.76246 10.93116 2.94264 -186.35914 983.90183
2865.0000 -195.10171 -184.30907 10.79264 3.01065 -185.07541 1046.73593
2870.0000 -195.87740 -183.86346 12.01394 3.05391 -184.25894 1061.08603
2875.0000 -194.70941 -183.24469 11.46472 3.05962 -184.15112 1099.42088
2880.0000 -196.31410 -186.41166 9.90244 2.96378 -185.96003 1005.39952
2885.0000 -198.98912 -188.73998 10.24914 2.89926 -187.17788 992.23405
2890.0000 -199.56997 -189.02518 10.54479 2.78993 -189.24133 925.31464
2895.0000 -196.93740 -187.53030 9.40710 2.89014 -187.35005 959.19374
2900.0000 -196.16020 -187.36421 8.79600 2.85962 -187.92613 947.62733
2905.0000 -196.92106 -187.53526 9.38580 2.86007 -187.91747 941.55801
2910.0000 -197.05689 -186.45641 10.60048 2.89232 -187.30879 986.34908
2915.0000 -198.88357 -187.51010 11.37347 2.92414 -186.70817 973.34668
2920.0000 -197.92735 -187.59911 10.32825 2.88724 -187.40471 985.11929
2925.0000 -197.63889 -186.72337 10.91552 2.92593 -186.67443 1006.92594
2930.0000 -197.86264 -186.75060 11.11204 2.95350 -186.15410 1039.52244
2935.0000 -198.33672 -186.97729 11.35942 2.91302 -186.91808 1010.13729
2940.0000 -197.33003 -186.47445 10.85558 2.89449 -187.26783 1001.75885
2945.0000 -198.54074 -187.30701 11.23373 2.89182 -187.31833 975.72329
2950.0000 -197.76107 -185.96728 11.79379 2.88651 -187.41842 1016.06754
2955.0000 -198.74771 -188.50133 10.24638 2.86046 -187.91015 974.53470
2960.0000 -200.67734 -190.89970 9.77764 2.82878 -188.50820 967.37420
2965.0000 -198.84880 -189.36192 9.48688 2.73874 -190.20761 867.96043
2970.0000 -196.74627 -187.71002 9.03625 2.82581 -188.56425 926.81019
2975.0000 -196.77301 -186.49631 10.27670 2.93371 -186.52772 998.92277
2980.0000 -199.77738 -189.65541 10.12197 2.90035 -187.15731 971.53014
2985.0000 -197.91608 -186.05081 11.86527 2.88200 -187.50367 986.01076
2990.0000 -198.14686 -185.53240 12.61446 2.99016 -185.46219 1047.18857
2995.0000 -199.09340 -187.78015 11.31326 2.90857 -187.00222 1006.01553
3000.0000 -200.15373 -190.30510 9.84863 2.77133 -189.59248 919.61986
FREEZING PROCESS: loop number 13 T-loop= 970.00000000000000
main_MD> interactions number 13 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13824 -1.81773 -4.13259
force_rgl> df(natom) -0.10535 1.33797 3.29323
3005.0000 -197.65980 -187.61657 10.04323 2.74215 -190.14322 901.92955
3010.0000 -197.42672 -187.41189 10.01483 2.87704 -187.59721 995.57363
3015.0000 -198.24279 -187.67412 10.56867 2.92939 -186.60922 1034.85927
3020.0000 -199.18229 -188.84909 10.33321 2.89927 -187.17772 994.34917
3025.0000 -196.84875 -186.06542 10.78333 2.91340 -186.91095 1003.71398
3030.0000 -198.89940 -187.50973 11.38967 2.92291 -186.73153 1004.35352
3035.0000 -198.05737 -187.92305 10.13432 2.89480 -187.26195 985.78874
3040.0000 -199.41378 -190.11097 9.30281 2.79037 -189.23319 912.54704
3045.0000 -198.68349 -189.67069 9.01280 2.72998 -190.37302 888.05272
3050.0000 -198.25821 -186.59405 11.66416 2.84666 -188.17063 953.46415
3055.0000 -198.42278 -188.92526 9.49753 2.86753 -187.77675 987.52384
3060.0000 -197.24207 -186.23780 11.00427 2.85306 -188.04980 960.88919
3065.0000 -197.54013 -187.19094 10.34919 2.92994 -186.59877 1039.86824
3070.0000 -196.79843 -186.47679 10.32164 2.93643 -186.47629 1027.35275
3075.0000 -198.51752 -189.24377 9.27375 2.87646 -187.60829 948.21756
3080.0000 -196.96511 -187.86962 9.09549 2.80633 -188.93178 930.26297
3085.0000 -198.22539 -188.04056 10.18483 2.86762 -187.77503 977.28182
3090.0000 -197.36162 -187.15451 10.20711 2.87821 -187.57508 970.96304
3095.0000 -198.76302 -187.55308 11.20993 2.93255 -186.54946 998.14731
3100.0000 -197.79212 -189.17856 8.61356 2.84200 -188.25857 952.62144
3105.0000 -197.39324 -187.99412 9.39912 2.79874 -189.07517 927.22631
3110.0000 -198.93434 -190.17544 8.75891 2.80492 -188.95840 907.84632
3115.0000 -198.91550 -188.79016 10.12534 2.73374 -190.30194 883.19222
3120.0000 -198.18833 -187.74027 10.44806 2.86446 -187.83475 990.20698
3125.0000 -199.07756 -188.34445 10.73312 2.87513 -187.63339 970.20458
3130.0000 -196.98012 -186.81946 10.16066 2.85121 -188.08472 962.26064
3135.0000 -200.19940 -190.15704 10.04236 2.84116 -188.27441 946.56276
3140.0000 -197.86250 -188.46487 9.39763 2.75009 -189.99333 882.38839
3145.0000 -195.04752 -185.07328 9.97424 2.93401 -186.52191 1009.39680
3150.0000 -197.87142 -188.29691 9.57451 2.98320 -185.59358 1009.99248
3155.0000 -198.25215 -188.84822 9.40392 2.80929 -188.87602 945.80621
3160.0000 -198.31767 -189.69893 8.61874 2.76138 -189.78035 914.74854
3165.0000 -196.88665 -188.45831 8.42834 2.75793 -189.84531 905.13008
3170.0000 -198.20217 -188.43468 9.76749 2.81606 -188.74831 922.34967
3175.0000 -199.78567 -190.43454 9.35113 2.80585 -188.94090 925.52023
3180.0000 -199.74613 -190.64006 9.10607 2.71965 -190.56795 884.30396
3185.0000 -195.79156 -187.63317 8.15838 2.77572 -189.50960 924.82412
3190.0000 -198.73667 -189.78474 8.95193 2.83642 -188.36390 940.34745
3195.0000 -199.70528 -190.03131 9.67396 2.75745 -189.85439 902.54847
3200.0000 -199.92759 -189.07212 10.85547 2.76414 -189.72810 905.91463
3205.0000 -200.16729 -189.99763 10.16966 2.76271 -189.75516 898.56580
3210.0000 -200.08506 -190.37782 9.70724 2.74631 -190.06463 913.30649
3215.0000 -199.15814 -189.15907 9.99907 2.75250 -189.94779 909.82963
3220.0000 -200.13659 -191.25667 8.87992 2.76004 -189.80555 914.79435
3225.0000 -199.00743 -190.65923 8.34820 2.64795 -191.92118 827.51710
3230.0000 -198.58291 -188.41333 10.16958 2.77648 -189.49528 892.97129
3235.0000 -198.32551 -187.24854 11.07698 2.89239 -187.30756 974.58507
3240.0000 -197.04314 -186.35907 10.68407 2.89903 -187.18219 999.88281
3245.0000 -198.00898 -185.19339 12.81559 2.93929 -186.42228 1024.46246
3250.0000 -196.81017 -184.35395 12.45622 3.00287 -185.22231 1040.16734
FREEZING PROCESS: loop number 14 T-loop= 945.00000000000000
main_MD> interactions number 14 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66889 -3.06636 0.43742
force_rgl> df(natom) -1.47505 0.22188 -1.58799
3255.0000 -197.26804 -185.38008 11.88796 3.03793 -184.56057 1069.24917
3260.0000 -198.15425 -187.55614 10.59811 2.89467 -187.26453 996.25280
3265.0000 -195.33040 -185.65094 9.67945 2.93069 -186.58471 1010.71858
3270.0000 -197.40739 -186.95013 10.45726 2.91886 -186.80788 986.80697
3275.0000 -197.57493 -186.80524 10.76969 2.91170 -186.94312 1011.44366
3280.0000 -196.25802 -186.88357 9.37445 2.92056 -186.77580 985.16209
3285.0000 -199.70014 -190.83765 8.86249 2.81733 -188.72417 922.84191
3290.0000 -199.15593 -188.48147 10.67446 2.75318 -189.93514 919.04094
3295.0000 -197.59473 -187.94904 9.64570 2.83623 -188.36748 963.40592
3300.0000 -199.04179 -188.75936 10.28243 2.80466 -188.96347 930.96567
3305.0000 -199.34076 -188.41848 10.92228 2.82096 -188.65572 951.54331
3310.0000 -195.83786 -187.05955 8.77831 2.87533 -187.62962 969.81801
3315.0000 -198.49493 -187.69513 10.79980 2.89263 -187.30302 991.66663
3320.0000 -199.42361 -189.96858 9.45503 2.87905 -187.55941 983.63653
3325.0000 -198.57655 -188.11218 10.46437 2.82395 -188.59923 948.38697
3330.0000 -197.75307 -188.10918 9.64389 2.82108 -188.65350 942.29707
3335.0000 -196.79945 -186.52681 10.27265 2.90809 -187.01126 973.52897
3340.0000 -198.27136 -187.07827 11.19309 2.90284 -187.11022 988.39790
3345.0000 -197.31110 -188.75722 8.55388 2.87141 -187.70352 961.59967
3350.0000 -198.20033 -186.85600 11.34433 2.89049 -187.34345 989.01550
3355.0000 -198.37671 -188.19811 10.17860 2.84296 -188.24056 976.02991
3360.0000 -196.03809 -185.23081 10.80728 2.88682 -187.41261 998.63808
3365.0000 -198.55030 -189.10625 9.44405 2.86969 -187.73594 950.31040
3370.0000 -200.83947 -191.25287 9.58659 2.76492 -189.71341 887.73824
3375.0000 -200.63290 -191.74106 8.89184 2.66044 -191.68539 856.91125
3380.0000 -198.64810 -187.64546 11.00263 2.75006 -189.99386 930.75185
3385.0000 -197.89742 -187.49081 10.40661 2.85095 -188.08966 958.87847
3390.0000 -197.69213 -188.87507 8.81706 2.84813 -188.14296 974.79091
3395.0000 -198.18580 -190.11072 8.07507 2.73789 -190.22369 905.33316
3400.0000 -199.93038 -190.45474 9.47563 2.74609 -190.06878 889.67554
3405.0000 -198.08453 -187.31275 10.77178 2.87944 -187.55193 993.61038
3410.0000 -197.81318 -188.14246 9.67073 2.86642 -187.79777 919.26799
3415.0000 -197.35394 -187.25612 10.09782 2.89237 -187.30784 987.02718
3420.0000 -197.24355 -187.85631 9.38724 2.85616 -187.99130 925.96597
3425.0000 -196.21896 -187.00576 9.21319 2.86421 -187.83941 959.37668
3430.0000 -195.72560 -185.48338 10.24222 2.95395 -186.14555 1022.33982
3435.0000 -196.79438 -184.93174 11.86263 2.93204 -186.55911 1012.17904
3440.0000 -196.58102 -185.43684 11.14418 2.97053 -185.83276 1028.82183
3445.0000 -196.58834 -187.82329 8.76505 2.93510 -186.50143 1009.70470
3450.0000 -198.88353 -189.70462 9.17891 2.83387 -188.41213 958.29301
3455.0000 -199.07017 -189.94112 9.12904 2.78964 -189.24689 938.87078
3460.0000 -199.43174 -189.90521 9.52652 2.79144 -189.21284 927.99833
3465.0000 -200.29730 -189.92929 10.36801 2.79116 -189.21813 907.92811
3470.0000 -199.94393 -190.68637 9.25756 2.69410 -191.05013 867.15110
3475.0000 -199.13883 -189.04653 10.09230 2.76105 -189.78655 881.67561
3480.0000 -197.09466 -188.32110 8.77356 2.81018 -188.85928 943.48252
3485.0000 -196.88945 -187.17480 9.71466 2.85848 -187.94755 973.88330
3490.0000 -198.26040 -188.56173 9.69867 2.87396 -187.65533 978.34467
3495.0000 -198.60629 -188.43235 10.17395 2.81545 -188.75969 941.41227
3500.0000 -198.56022 -187.77609 10.78413 2.87637 -187.60985 976.72360
FREEZING PROCESS: loop number 15 T-loop= 920.00000000000000
main_MD> interactions number 15 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04607 0.46317 2.17230
force_rgl> df(natom) 0.52962 1.88402 1.22437
3505.0000 -200.80855 -190.83308 9.97546 2.81502 -188.76782 964.07116
3510.0000 -198.53879 -189.55833 8.98046 2.74811 -190.03072 900.40426
3515.0000 -197.43303 -187.37524 10.05779 2.83343 -188.42040 922.42730
3520.0000 -198.15559 -188.07285 10.08273 2.86275 -187.86701 953.66922
3525.0000 -197.52193 -186.99304 10.52888 2.88594 -187.42925 957.18959
3530.0000 -198.61613 -188.18889 10.42724 2.92203 -186.74803 1010.29323
3535.0000 -196.25228 -185.34973 10.90255 2.87285 -187.67629 985.35437
3540.0000 -198.12366 -187.46016 10.66350 2.86328 -187.85689 959.95653
3545.0000 -198.36863 -188.72799 9.64065 2.79736 -189.10125 941.90729
3550.0000 -198.59638 -187.46502 11.13136 2.88298 -187.48510 986.92169
3555.0000 -199.04505 -188.80307 10.24197 2.88621 -187.42411 986.84610
3560.0000 -198.64947 -188.64811 10.00136 2.78992 -189.24151 892.95603
3565.0000 -197.08530 -186.09503 10.99027 2.86905 -187.74801 958.97566
3570.0000 -198.02436 -187.96708 10.05728 2.97638 -185.72230 1033.48779
3575.0000 -198.13654 -188.11383 10.02271 2.83945 -188.30672 955.54612
3580.0000 -198.10952 -187.50614 10.60338 2.85412 -188.02989 982.44163
3585.0000 -198.09749 -188.12222 9.97527 2.87854 -187.56897 953.00002
3590.0000 -197.82920 -186.88758 10.94162 2.87290 -187.67534 959.28814
3595.0000 -198.75761 -188.33508 10.42253 2.87612 -187.61456 970.37056
3600.0000 -198.73432 -189.97065 8.76367 2.80562 -188.94520 966.82800
3605.0000 -197.58899 -188.50031 9.08868 2.78826 -189.27302 907.31105
3610.0000 -198.19305 -186.33333 11.85972 2.87351 -187.66382 962.35444
3615.0000 -197.18828 -186.84518 10.34309 2.92766 -186.64190 1023.44461
3620.0000 -198.63265 -188.14722 10.48542 2.86314 -187.85959 965.82228
3625.0000 -198.49269 -188.34183 10.15086 2.78753 -189.28676 944.79817
3630.0000 -198.52736 -188.60053 9.92683 2.81410 -188.78517 939.00050
3635.0000 -199.49199 -189.76944 9.72254 2.79888 -189.07254 916.58761
3640.0000 -199.35579 -190.76395 8.59184 2.79889 -189.07227 897.50788
3645.0000 -200.35310 -190.57063 9.78248 2.70825 -190.78304 874.40575
3650.0000 -199.24457 -189.18327 10.06131 2.77225 -189.57513 913.24860
3655.0000 -198.39993 -189.02790 9.37203 2.78989 -189.24220 915.91358
3660.0000 -198.93271 -189.27621 9.65651 2.86930 -187.74325 971.16604
3665.0000 -199.74373 -188.85727 10.88646 2.82227 -188.63105 950.84669
3670.0000 -197.07439 -188.92122 8.15317 2.78231 -189.38516 923.53984
3675.0000 -197.12475 -188.66120 8.46355 2.78350 -189.36284 888.70425
3680.0000 -198.66709 -188.57297 10.09412 2.83007 -188.48376 906.34645
3685.0000 -199.62874 -189.14596 10.48278 2.83548 -188.38171 965.77917
3690.0000 -199.77540 -190.10891 9.66649 2.81025 -188.85785 944.84292
3695.0000 -199.31318 -189.08549 10.22769 2.76504 -189.71122 943.90413
3700.0000 -199.35974 -188.64144 10.71830 2.82521 -188.57559 956.11654
3705.0000 -199.45158 -190.13775 9.31382 2.75653 -189.87179 908.69142
3710.0000 -200.37191 -192.29925 8.07265 2.70212 -190.89870 866.77438
3715.0000 -200.60152 -191.67451 8.92702 2.60699 -192.69433 797.59977
3720.0000 -199.36426 -189.48440 9.87986 2.71027 -190.74497 899.85145
3725.0000 -199.80361 -189.14652 10.65708 2.81604 -188.74854 926.40285
3730.0000 -196.94686 -188.17434 8.77252 2.81859 -188.70051 941.58523
3735.0000 -198.21902 -188.45780 9.76122 2.81887 -188.69513 953.92808
3740.0000 -198.17395 -189.33334 8.84061 2.78926 -189.25408 931.30007
3745.0000 -201.21714 -191.24197 9.97517 2.77492 -189.52479 910.81538
3750.0000 -198.51305 -190.50522 8.00783 2.71908 -190.57872 874.20339
FREEZING PROCESS: loop number 16 T-loop= 895.00000000000000
main_MD> interactions number 16 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.61735 -1.12575 -6.95620
force_rgl> df(natom) -2.69539 3.28829 5.40209
3755.0000 -198.60110 -189.88592 8.71519 2.73701 -190.24034 900.08124
3760.0000 -200.33636 -191.04539 9.29097 2.71754 -190.60776 880.73701
3765.0000 -198.07469 -187.16080 10.91390 2.76466 -189.71835 869.02920
3770.0000 -198.26969 -189.42290 8.84679 2.85627 -187.98926 965.86585
3775.0000 -197.50788 -187.93880 9.56908 2.77787 -189.46895 891.20742
3780.0000 -197.82458 -186.18582 11.63876 2.89268 -187.30208 943.32343
3785.0000 -199.34626 -190.32864 9.01762 2.85977 -187.92328 963.29382
3790.0000 -199.53657 -188.71692 10.81965 2.78449 -189.34414 936.32825
3795.0000 -201.31410 -191.93994 9.37416 2.77348 -189.55191 908.94322
3800.0000 -200.75632 -191.60456 9.15177 2.66778 -191.54700 834.53806
3805.0000 -199.10486 -190.09543 9.00943 2.72772 -190.41565 900.24431
3810.0000 -199.48394 -190.55195 8.93199 2.73118 -190.35032 878.77778
3815.0000 -199.56550 -190.86407 8.70142 2.71442 -190.66662 856.75703
3820.0000 -199.10154 -191.38365 7.71788 2.71225 -190.70766 884.35332
3825.0000 -200.64997 -191.87362 8.77634 2.64509 -191.97524 837.36205
3830.0000 -201.31887 -191.53505 9.78382 2.66246 -191.64728 836.93302
3835.0000 -202.54497 -192.53667 10.00830 2.68127 -191.29238 857.67090
3840.0000 -198.70599 -190.42614 8.27985 2.71236 -190.70545 879.69855
3845.0000 -198.71370 -189.53554 9.17817 2.76203 -189.76805 917.27801
3850.0000 -199.66441 -189.10218 10.56223 2.77423 -189.53769 914.29976
3855.0000 -198.99417 -188.79241 10.20176 2.82497 -188.58002 933.73974
3860.0000 -199.79884 -191.33530 8.46354 2.73091 -190.35546 889.20826
3865.0000 -199.05720 -190.12827 8.92893 2.74872 -190.01915 910.49284
3870.0000 -201.14084 -191.46467 9.67617 2.69709 -190.99372 876.19629
3875.0000 -200.06569 -189.68217 10.38351 2.71967 -190.56759 902.13896
3880.0000 -199.45827 -190.36530 9.09296 2.77283 -189.56424 863.81504
3885.0000 -199.21352 -190.09596 9.11755 2.76504 -189.71128 941.02540
3890.0000 -198.36578 -190.36382 8.00196 2.75412 -189.91728 917.01989
3895.0000 -201.01536 -192.54817 8.46719 2.72469 -190.47278 882.50630
3900.0000 -202.25981 -193.04214 9.21767 2.61831 -192.48068 831.72178
3905.0000 -201.68283 -192.09648 9.58635 2.60825 -192.67062 834.60674
3910.0000 -200.18206 -191.65146 8.53061 2.64177 -192.03789 853.75224
3915.0000 -201.51237 -190.94062 10.57174 2.69929 -190.95228 868.31825
3920.0000 -198.31419 -189.50481 8.80937 2.75862 -189.83234 897.41943
3925.0000 -198.84285 -188.82741 10.01544 2.81446 -188.77845 954.08832
3930.0000 -199.95206 -191.58792 8.36414 2.77767 -189.47286 924.38650
3935.0000 -199.59008 -190.73279 8.85729 2.68582 -191.20647 859.55811
3940.0000 -199.35694 -188.56156 10.79538 2.72707 -190.42788 875.35940
3945.0000 -199.45108 -190.47104 8.98004 2.83497 -188.39124 921.64453
3950.0000 -198.89423 -190.99753 7.89670 2.79138 -189.21398 903.78207
3955.0000 -198.06663 -190.18274 7.88389 2.77435 -189.53546 910.77045
3960.0000 -198.40253 -187.79527 10.60726 2.82167 -188.64232 941.30734
3965.0000 -198.51084 -189.02085 9.48999 2.83255 -188.43701 956.28930
3970.0000 -197.33534 -187.89950 9.43583 2.82359 -188.60604 943.41502
3975.0000 -198.19902 -188.55167 9.64735 2.84398 -188.22119 959.24687
3980.0000 -198.34448 -189.55010 8.79439 2.84267 -188.24605 966.78884
3985.0000 -199.12689 -190.33492 8.79197 2.79659 -189.11572 922.07717
3990.0000 -200.16297 -190.93452 9.22845 2.73036 -190.36581 877.34104
3995.0000 -200.95244 -192.62615 8.32629 2.66913 -191.52155 810.42619
4000.0000 -199.25352 -190.86595 8.38757 2.67400 -191.42959 841.84145
FREEZING PROCESS: loop number 17 T-loop= 870.00000000000000
main_MD> interactions number 17 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.01671 1.10037 0.56942
force_rgl> df(natom) 0.14853 -4.53132 1.00570
4005.0000 -199.84331 -190.89872 8.94459 2.68047 -191.30736 844.30547
4010.0000 -200.04814 -191.08835 8.95980 2.68541 -191.21413 870.00810
4015.0000 -201.21762 -189.95855 11.25907 2.68238 -191.27137 861.42318
4020.0000 -201.62521 -192.20791 9.41730 2.65791 -191.73330 828.75666
4025.0000 -202.64304 -193.80053 8.84251 2.58161 -193.17332 800.37882
4030.0000 -201.74798 -193.28576 8.46222 2.58633 -193.08417 806.23752
4035.0000 -200.53572 -192.08615 8.44957 2.58230 -193.16024 813.86855
4040.0000 -200.52353 -192.21775 8.30577 2.67552 -191.40084 857.44440
4045.0000 -200.97921 -192.35673 8.62249 2.64575 -191.96270 836.61388
4050.0000 -201.82445 -191.78070 10.04376 2.62520 -192.35058 813.12212
4055.0000 -200.33657 -192.89275 7.44381 2.62183 -192.41418 814.01223
4060.0000 -199.86104 -189.91507 9.94596 2.69519 -191.02964 870.22416
4065.0000 -200.28923 -191.53858 8.75065 2.69944 -190.94936 864.33690
4070.0000 -201.20302 -190.49791 10.70512 2.69308 -191.06949 878.52547
4075.0000 -198.86392 -188.92320 9.94072 2.74061 -190.17236 913.37528
4080.0000 -198.83613 -189.66139 9.17474 2.76474 -189.71693 935.06286
4085.0000 -200.29621 -191.04492 9.25129 2.72359 -190.49358 884.69894
4090.0000 -201.77181 -191.51565 10.25617 2.67752 -191.36317 862.74386
4095.0000 -201.46584 -193.47911 7.98673 2.63571 -192.15232 832.36256
4100.0000 -201.32917 -192.64675 8.68242 2.58506 -193.10830 812.54050
4105.0000 -202.07253 -193.54616 8.52637 2.59900 -192.84508 787.58857
4110.0000 -200.08997 -191.37903 8.71093 2.61531 -192.53736 815.34116
4115.0000 -199.42975 -189.60989 9.81987 2.72259 -190.51233 874.74697
4120.0000 -198.94313 -190.13103 8.81209 2.79472 -189.15092 929.01887
4125.0000 -199.05125 -188.94545 10.10581 2.79052 -189.23029 910.76571
4130.0000 -199.35175 -190.05166 9.30009 2.80376 -188.98034 925.68488
4135.0000 -200.85723 -191.19812 9.65911 2.69564 -191.02116 868.96313
4140.0000 -199.15290 -190.19534 8.95757 2.69748 -190.98631 876.40950
4145.0000 -198.43077 -188.49548 9.93529 2.81898 -188.69315 931.44202
4150.0000 -198.80634 -190.20396 8.60238 2.75578 -189.88607 884.14699
4155.0000 -197.97807 -187.90644 10.07163 2.82883 -188.50725 931.75595
4160.0000 -198.27542 -190.21682 8.05861 2.80688 -188.92144 923.95173
4165.0000 -199.38546 -189.65034 9.73512 2.76072 -189.79278 903.36082
4170.0000 -199.78323 -190.69233 9.09091 2.70947 -190.76000 896.78311
4175.0000 -200.33778 -189.88706 10.45073 2.73357 -190.30513 892.15716
4180.0000 -198.60834 -189.15460 9.45374 2.78630 -189.30991 911.27325
4185.0000 -198.65413 -188.66080 9.99333 2.78420 -189.34950 909.67599
4190.0000 -197.46002 -186.60814 10.85188 2.87377 -187.65892 1006.74128
4195.0000 -199.06825 -189.57891 9.48934 2.84530 -188.19632 973.53984
4200.0000 -200.59419 -190.43887 10.15532 2.74950 -190.00455 897.90051
4205.0000 -198.57763 -189.16411 9.41352 2.74234 -190.13973 873.68313
4210.0000 -199.98474 -190.09077 9.89397 2.80385 -188.97867 934.46977
4215.0000 -199.69026 -191.38279 8.30747 2.73146 -190.34503 853.92723
4220.0000 -200.41141 -191.24341 9.16800 2.67481 -191.41429 854.57289
4225.0000 -199.88993 -191.91756 7.97236 2.71156 -190.72054 872.56399
4230.0000 -202.34564 -193.01434 9.33130 2.65411 -191.80504 869.77523
4235.0000 -200.20882 -191.50355 8.70527 2.65748 -191.74140 859.41657
4240.0000 -200.54616 -191.26609 9.28006 2.69738 -190.98832 880.67390
4245.0000 -201.04664 -193.36810 7.67854 2.63075 -192.24577 804.82162
4250.0000 -201.87308 -191.99359 9.87949 2.57006 -193.39128 796.20393
FREEZING PROCESS: loop number 18 T-loop= 845.00000000000000
main_MD> interactions number 18 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91324 2.16843 1.04848
force_rgl> df(natom) -0.22443 1.48877 2.33197
4255.0000 -201.48518 -192.66430 8.82088 2.64601 -191.95784 832.55736
4260.0000 -200.33076 -191.56828 8.76248 2.59634 -192.89536 793.13425
4265.0000 -199.62080 -191.24421 8.37660 2.67670 -191.37849 829.15961
4270.0000 -199.33009 -191.07017 8.25992 2.64137 -192.04546 818.37643
4275.0000 -200.63864 -190.43663 10.20201 2.76078 -189.79158 909.59184
4280.0000 -200.96813 -191.27078 9.69734 2.67434 -191.42320 850.85361
4285.0000 -199.13863 -190.91230 8.22632 2.65429 -191.80148 831.92640
4290.0000 -201.10458 -192.53676 8.56782 2.68232 -191.27259 857.12637
4295.0000 -199.56062 -192.24178 7.31884 2.56529 -193.48137 782.49755
4300.0000 -202.08485 -193.87105 8.21380 2.57854 -193.23128 792.51536
4305.0000 -201.47546 -194.40756 7.06790 2.57251 -193.34511 769.73658
4310.0000 -202.08857 -193.91964 8.16893 2.53586 -194.03679 775.06374
4315.0000 -201.24464 -192.71143 8.53321 2.58423 -193.12381 800.44673
4320.0000 -201.09042 -192.47176 8.61866 2.61991 -192.45052 812.78338
4325.0000 -200.98918 -191.10073 9.88845 2.65615 -191.76647 837.41756
4330.0000 -200.22282 -191.36386 8.85896 2.72116 -190.53935 886.09998
4335.0000 -201.26364 -192.50753 8.75611 2.63781 -192.11270 821.76255
4340.0000 -201.28911 -192.15809 9.13102 2.61472 -192.54841 792.06412
4345.0000 -201.07307 -192.74892 8.32415 2.59955 -192.83465 802.43563
4350.0000 -199.63196 -190.57608 9.05588 2.70787 -190.79017 881.07005
4355.0000 -199.83656 -191.13278 8.70378 2.71028 -190.74484 888.07072
4360.0000 -200.56575 -191.90680 8.65895 2.68187 -191.28102 848.48757
4365.0000 -200.68684 -192.80120 7.88564 2.61066 -192.62501 809.02589
4370.0000 -200.13105 -191.97339 8.15765 2.58921 -193.02994 795.45573
4375.0000 -199.99511 -191.09572 8.89939 2.66056 -191.68315 848.12531
4380.0000 -201.09537 -190.76420 10.33117 2.70451 -190.85370 865.13570
4385.0000 -199.66732 -190.84379 8.82353 2.73096 -190.35452 862.77944
4390.0000 -201.06909 -191.46185 9.60724 2.67395 -191.43055 835.43249
4395.0000 -201.95557 -192.81318 9.14240 2.60693 -192.69552 819.26966
4400.0000 -199.72658 -191.66186 8.06472 2.66347 -191.62831 857.37706
4405.0000 -200.56040 -192.41599 8.14441 2.62035 -192.44208 807.27092
4410.0000 -202.77934 -192.30153 10.47781 2.61276 -192.58544 826.62751
4415.0000 -200.79092 -191.80875 8.98218 2.64561 -191.96537 835.21129
4420.0000 -200.65891 -190.84778 9.81113 2.71412 -190.67225 884.54884
4425.0000 -198.41842 -189.41989 8.99853 2.75536 -189.89392 881.52414
4430.0000 -201.23300 -191.32776 9.90525 2.68455 -191.23038 860.55705
4435.0000 -200.04281 -191.04364 8.99917 2.66805 -191.54180 867.66444
4440.0000 -200.31274 -190.85443 9.45831 2.68814 -191.16264 853.17796
4445.0000 -201.65152 -192.58352 9.06800 2.68945 -191.13795 843.04311
4450.0000 -201.44660 -194.18751 7.25909 2.59558 -192.90976 810.88111
4455.0000 -201.94066 -191.72610 10.21456 2.59155 -192.98577 785.09137
4460.0000 -200.50752 -191.54823 8.95929 2.66510 -191.59744 834.68069
4465.0000 -200.31697 -190.81433 9.50264 2.66520 -191.59557 824.86584
4470.0000 -199.63748 -190.29217 9.34531 2.73065 -190.36024 869.06868
4475.0000 -200.75616 -192.03608 8.72008 2.67066 -191.49260 848.97184
4480.0000 -202.51720 -194.05889 8.45830 2.61523 -192.53882 816.70039
4485.0000 -198.86725 -190.56057 8.30668 2.63765 -192.11559 816.17649
4490.0000 -199.92325 -191.30885 8.61439 2.69165 -191.09648 877.38391
4495.0000 -200.58108 -192.18278 8.39831 2.66415 -191.61549 849.33875
4500.0000 -199.53536 -189.33800 10.19736 2.68260 -191.26717 844.02058
FREEZING PROCESS: loop number 19 T-loop= 820.00000000000000
main_MD> interactions number 19 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.29892 2.61485 -1.43777
force_rgl> df(natom) -1.68083 -0.25517 -1.31543
4505.0000 -201.60327 -192.17239 9.43088 2.66517 -191.59622 859.53930
4510.0000 -201.51113 -194.52500 6.98613 2.55537 -193.66867 764.39139
4515.0000 -200.84123 -192.28807 8.55317 2.56105 -193.56137 782.04828
4520.0000 -201.83162 -193.55823 8.27339 2.61155 -192.60828 828.33998
4525.0000 -199.93617 -191.93699 7.99918 2.60835 -192.66863 794.74107
4530.0000 -201.62855 -192.51512 9.11343 2.64652 -191.94827 847.92738
4535.0000 -201.32121 -193.35157 7.96964 2.60329 -192.76408 794.23206
4540.0000 -201.53932 -193.52413 8.01519 2.56463 -193.49384 770.47814
4545.0000 -200.25562 -191.04606 9.20955 2.62338 -192.38495 834.79695
4550.0000 -198.50397 -190.00532 8.49865 2.64832 -191.91419 818.76427
4555.0000 -201.79401 -193.32636 8.46765 2.68430 -191.23507 871.77743
4560.0000 -201.02394 -193.67519 7.34876 2.52316 -194.27652 761.46951
4565.0000 -200.97224 -193.33402 7.63822 2.60341 -192.76182 816.52423
4570.0000 -201.59387 -191.89139 9.70249 2.60517 -192.72863 817.66667
4575.0000 -201.48096 -194.29444 7.18652 2.54162 -193.92823 744.29967
4580.0000 -201.63612 -192.72063 8.91549 2.55412 -193.69214 774.37673
4585.0000 -202.16974 -195.23247 6.93727 2.56500 -193.48692 785.77141
4590.0000 -202.75970 -193.85408 8.90562 2.52447 -194.25186 739.76409
4595.0000 -200.97958 -192.95897 8.02061 2.57941 -193.21481 779.83078
4600.0000 -201.69520 -193.31292 8.38228 2.60204 -192.78773 830.99690
4605.0000 -199.83498 -190.79242 9.04256 2.62641 -192.32778 841.92808
4610.0000 -199.94029 -191.45430 8.48599 2.64989 -191.88455 845.92460
4615.0000 -200.42950 -191.92831 8.50119 2.65085 -191.86641 812.27122
4620.0000 -200.00889 -191.22452 8.78437 2.68058 -191.30538 837.90469
4625.0000 -200.12751 -190.32381 9.80370 2.68849 -191.15608 861.53650
4630.0000 -200.65168 -191.19684 9.45484 2.65797 -191.73209 847.60078
4635.0000 -200.95816 -192.18717 8.77099 2.66204 -191.65529 839.80743
4640.0000 -199.62067 -189.86616 9.75450 2.67647 -191.38287 814.80060
4645.0000 -200.63268 -191.61443 9.01825 2.70092 -190.92152 846.51425
4650.0000 -200.99047 -192.10371 8.88676 2.65427 -191.80202 835.16912
4655.0000 -202.67243 -194.05078 8.62165 2.60916 -192.65339 827.82386
4660.0000 -200.61839 -191.95328 8.66511 2.57425 -193.31218 797.61246
4665.0000 -202.24336 -193.22815 9.01521 2.59137 -192.98907 802.90481
4670.0000 -200.19526 -191.32042 8.87484 2.60935 -192.64974 802.80916
4675.0000 -200.58211 -191.67248 8.90963 2.64890 -191.90333 816.15501
4680.0000 -201.43144 -192.42978 9.00166 2.64798 -191.92073 847.52035
4685.0000 -200.27312 -191.92277 8.35035 2.64145 -192.04395 840.41363
4690.0000 -202.30775 -193.49425 8.81350 2.58038 -193.19651 779.54047
4695.0000 -201.49507 -194.22542 7.26965 2.58745 -193.06308 785.71379
4700.0000 -203.30747 -194.03228 9.27518 2.50961 -194.53233 758.73397
4705.0000 -202.16515 -193.90716 8.25799 2.55418 -193.69115 808.40018
4710.0000 -201.60573 -192.54961 9.05612 2.59416 -192.93654 802.86786
4715.0000 -200.39155 -192.27296 8.11859 2.58080 -193.18861 804.15497
4720.0000 -200.40949 -192.15833 8.25117 2.62666 -192.32305 837.90125
4725.0000 -200.15871 -191.20324 8.95547 2.67069 -191.49205 868.59029
4730.0000 -201.37955 -192.60079 8.77876 2.62721 -192.31269 830.43400
4735.0000 -201.30590 -193.11000 8.19589 2.61399 -192.56228 784.28714
4740.0000 -201.05697 -192.99057 8.06640 2.59353 -192.94840 793.21867
4745.0000 -203.80116 -194.73330 9.06786 2.50337 -194.65013 754.75285
4750.0000 -200.62561 -192.34887 8.27673 2.58610 -193.08854 810.19862
FREEZING PROCESS: loop number 20 T-loop= 795.00000000000000
main_MD> interactions number 20 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95193 -1.52530 2.73071
force_rgl> df(natom) 3.16456 1.09013 -0.46189
4755.0000 -202.42254 -193.79894 8.62361 2.57356 -193.32536 803.41599
4760.0000 -202.29245 -194.26016 8.03230 2.48900 -194.92127 748.30587
4765.0000 -201.88326 -194.64459 7.23867 2.48457 -195.00485 722.42676
4770.0000 -201.12793 -194.34334 6.78459 2.51549 -194.42139 752.43869
4775.0000 -201.77023 -194.69630 7.07393 2.48495 -194.99767 720.90045
4780.0000 -204.25504 -195.31375 8.94128 2.46715 -195.33379 712.79040
4785.0000 -201.49035 -192.71309 8.77727 2.53419 -194.06839 770.51506
4790.0000 -202.03334 -193.20696 8.82638 2.56172 -193.54867 767.81845
4795.0000 -199.24345 -191.50531 7.73814 2.62551 -192.34469 808.85487
4800.0000 -199.62979 -190.30801 9.32178 2.67844 -191.34582 822.80724
4805.0000 -202.74745 -193.80146 8.94600 2.67073 -191.49123 855.02125
4810.0000 -202.98775 -193.96264 9.02511 2.51782 -194.37739 735.36226
4815.0000 -200.70607 -192.44712 8.25895 2.61180 -192.60351 814.75253
4820.0000 -200.86435 -192.09067 8.77368 2.57197 -193.35537 781.41272
4825.0000 -200.84318 -193.24233 7.60085 2.63058 -192.24908 810.60472
4830.0000 -200.93779 -192.64310 8.29469 2.61914 -192.46495 801.43134
4835.0000 -201.05470 -192.33174 8.72296 2.59684 -192.88584 799.61629
4840.0000 -202.16591 -192.65099 9.51492 2.60434 -192.74433 819.06007
4845.0000 -201.73421 -193.45164 8.28257 2.59906 -192.84390 822.09058
4850.0000 -200.54079 -191.73793 8.80286 2.61796 -192.48731 816.20959
4855.0000 -201.53505 -192.84984 8.68521 2.63462 -192.17291 821.04446
4860.0000 -201.66356 -193.06527 8.59829 2.58987 -193.01745 798.95362
4865.0000 -202.19695 -193.63342 8.56353 2.60334 -192.76313 817.99366
4870.0000 -202.98060 -194.90621 8.07439 2.51539 -194.42327 739.19865
4875.0000 -201.65663 -192.54858 9.10805 2.52337 -194.27257 768.62986
4880.0000 -202.39741 -194.80454 7.59286 2.58591 -193.09221 794.60326
4885.0000 -202.80749 -194.24691 8.56058 2.56598 -193.46844 795.81278
4890.0000 -203.44847 -196.28617 7.16231 2.45423 -195.57752 744.36171
4895.0000 -201.31704 -193.33761 7.97943 2.51491 -194.43238 784.15635
4900.0000 -200.64863 -192.70881 7.93982 2.58248 -193.15698 822.23885
4905.0000 -202.67766 -192.25920 10.41846 2.61134 -192.61216 810.18512
4910.0000 -201.42741 -193.15391 8.27350 2.63555 -192.15517 826.47217
4915.0000 -201.16279 -193.38405 7.77874 2.54871 -193.79434 741.38512
4920.0000 -201.08941 -193.39342 7.69599 2.55521 -193.67169 757.33370
4925.0000 -201.67783 -193.29100 8.38683 2.59981 -192.82980 787.53129
4930.0000 -201.38336 -193.43201 7.95135 2.57754 -193.25016 777.52545
4935.0000 -202.71585 -194.15729 8.55856 2.51917 -194.35183 754.11587
4940.0000 -200.23543 -191.75608 8.47935 2.55945 -193.59155 770.86692
4945.0000 -201.93231 -193.68407 8.24824 2.59276 -192.96286 755.55788
4950.0000 -202.11682 -195.16187 6.95495 2.51450 -194.44009 717.94166
4955.0000 -202.89461 -193.97632 8.91829 2.50975 -194.52971 730.58607
4960.0000 -202.27569 -194.14652 8.12917 2.56265 -193.53123 777.38754
4965.0000 -202.08962 -193.74235 8.34727 2.53011 -194.14541 761.09893
4970.0000 -201.28128 -192.93421 8.34707 2.58013 -193.20134 771.65343
4975.0000 -200.57024 -190.65219 9.91804 2.66013 -191.69141 845.94820
4980.0000 -203.58533 -194.04026 9.54508 2.58642 -193.08255 819.35361
4985.0000 -201.85017 -193.72187 8.12830 2.50902 -194.54350 751.95689
4990.0000 -200.78320 -192.11986 8.66334 2.63142 -192.23314 800.81911
4995.0000 -201.28703 -194.49064 6.79639 2.59523 -192.91636 809.97572
5000.0000 -200.05773 -190.32045 9.73728 2.58206 -193.16492 778.77208
FREEZING PROCESS: loop number 21 T-loop= 770.00000000000000
main_MD> interactions number 21 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83821 1.22727 -5.58284
force_rgl> df(natom) 0.63143 1.63006 -1.80035
5005.0000 -200.69780 -191.43215 9.26564 2.70923 -190.76456 857.71897
5010.0000 -202.05810 -193.21124 8.84686 2.60725 -192.68939 822.51172
5015.0000 -202.58872 -194.31966 8.26906 2.50824 -194.55809 751.83752
5020.0000 -201.82593 -194.30233 7.52360 2.51526 -194.42575 741.03848
5025.0000 -202.16193 -194.34926 7.81268 2.56473 -193.49195 784.13967
5030.0000 -203.17786 -195.30323 7.87463 2.50534 -194.61294 750.30126
5035.0000 -202.18298 -195.18919 6.99379 2.49776 -194.75600 741.99208
5040.0000 -202.63159 -193.98887 8.64271 2.54781 -193.81128 779.16435
5045.0000 -202.48376 -193.87080 8.61296 2.60244 -192.78023 803.95096
5050.0000 -202.15767 -193.51875 8.63892 2.56945 -193.40286 797.01206
5055.0000 -202.06037 -193.33434 8.72603 2.56772 -193.43543 784.62203
5060.0000 -202.64555 -195.36875 7.27680 2.55246 -193.72346 758.25381
5065.0000 -202.91896 -194.47815 8.44081 2.49854 -194.74117 759.87061
5070.0000 -204.54348 -196.54168 8.00180 2.44955 -195.66600 719.28280
5075.0000 -202.84856 -194.26600 8.58255 2.50179 -194.67987 743.97146
5080.0000 -203.31093 -193.73297 9.57796 2.52884 -194.16945 778.19728
5085.0000 -201.32572 -193.47667 7.84906 2.58279 -193.15116 803.60017
5090.0000 -199.93544 -191.59027 8.34517 2.62093 -192.43112 805.93067
5095.0000 -201.33979 -193.31908 8.02072 2.59740 -192.87533 792.26446
5100.0000 -201.07481 -193.36985 7.70496 2.57105 -193.37260 793.56562
5105.0000 -202.17967 -192.01099 10.16867 2.58056 -193.19324 807.91373
5110.0000 -202.21942 -192.22229 9.99714 2.59945 -192.83670 796.15466
5115.0000 -202.22793 -192.52699 9.70094 2.62714 -192.31407 823.34164
5120.0000 -202.20617 -193.65632 8.54985 2.60190 -192.79047 807.24909
5125.0000 -203.53931 -196.27802 7.26129 2.51083 -194.50926 762.74174
5130.0000 -202.06073 -193.53876 8.52196 2.47204 -195.24152 739.12121
5135.0000 -202.54052 -194.89224 7.64828 2.54575 -193.85026 775.21873
5140.0000 -202.86985 -192.53248 10.33737 2.54661 -193.83405 750.96440
5145.0000 -203.45295 -195.82824 7.62471 2.55985 -193.58412 782.29579
5150.0000 -202.56536 -195.42116 7.14419 2.45209 -195.61803 724.46890
5155.0000 -201.98266 -194.21454 7.76812 2.51133 -194.49979 734.97560
5160.0000 -201.56183 -193.80236 7.75947 2.53612 -194.03192 754.85730
5165.0000 -200.83172 -193.05900 7.77272 2.55552 -193.66582 737.20476
5170.0000 -200.39523 -191.81897 8.57626 2.64995 -191.88354 820.12770
5175.0000 -201.76781 -193.72908 8.03873 2.61914 -192.46490 796.19391
5180.0000 -202.03125 -193.43767 8.59358 2.54990 -193.77189 765.52242
5185.0000 -201.71848 -193.44199 8.27650 2.53893 -193.97885 762.88720
5190.0000 -201.14883 -192.02084 9.12800 2.57657 -193.26842 783.65708
5195.0000 -201.06930 -192.73460 8.33471 2.62176 -192.41561 801.90167
5200.0000 -201.11965 -191.09023 10.02942 2.61716 -192.50238 825.04405
5205.0000 -200.23417 -191.24430 8.98987 2.70610 -190.82359 879.62069
5210.0000 -200.89660 -192.88070 8.01590 2.62991 -192.26172 810.17402
5215.0000 -202.07763 -192.51216 9.56547 2.58409 -193.12655 791.00530
5220.0000 -200.86021 -193.72290 7.13731 2.57829 -193.23608 802.78146
5225.0000 -203.94757 -195.42094 8.52664 2.48236 -195.04659 756.38172
5230.0000 -203.48162 -194.71649 8.76513 2.48741 -194.95130 754.15144
5235.0000 -203.90969 -196.24301 7.66669 2.45114 -195.63588 722.06283
5240.0000 -204.51122 -196.79803 7.71319 2.42482 -196.13268 686.50007
5245.0000 -202.94453 -194.58663 8.35790 2.44851 -195.68557 715.58666
5250.0000 -202.08866 -193.52650 8.56216 2.56021 -193.57721 767.88679
FREEZING PROCESS: loop number 22 T-loop= 745.00000000000000
main_MD> interactions number 22 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99833 -1.68133 -1.79990
force_rgl> df(natom) -1.64649 -1.01853 -2.04459
5255.0000 -201.62548 -193.65567 7.96982 2.58692 -193.07315 777.35272
5260.0000 -204.15534 -195.43746 8.71788 2.49182 -194.86803 731.40843
5265.0000 -204.07980 -195.23804 8.84176 2.47016 -195.27682 725.02065
5270.0000 -201.52055 -193.24925 8.27130 2.47839 -195.12157 726.35493
5275.0000 -202.32314 -194.70723 7.61591 2.52072 -194.32266 782.59675
5280.0000 -201.33037 -193.88203 7.44834 2.53270 -194.09656 786.14564
5285.0000 -201.03617 -193.39552 7.64065 2.60316 -192.76663 803.72341
5290.0000 -202.31558 -194.34998 7.96560 2.54888 -193.79111 743.62477
5295.0000 -203.06256 -195.16877 7.89380 2.53494 -194.05430 749.59839
5300.0000 -202.11112 -195.01184 7.09928 2.50836 -194.55593 730.84951
5305.0000 -200.98216 -193.13669 7.84547 2.52698 -194.20452 751.28579
5310.0000 -202.17936 -193.49017 8.68919 2.56456 -193.49508 784.79276
5315.0000 -200.29884 -193.38606 6.91278 2.56085 -193.56526 767.27554
5320.0000 -201.88115 -193.82941 8.05174 2.54940 -193.78132 751.76013
5325.0000 -201.64123 -192.13513 9.50610 2.59787 -192.86645 795.27938
5330.0000 -201.81463 -194.09895 7.71568 2.57420 -193.31314 801.99194
5335.0000 -201.97709 -194.46323 7.51386 2.53380 -194.07569 774.96809
5340.0000 -202.19877 -193.78587 8.41290 2.51120 -194.50221 752.22025
5345.0000 -200.51490 -192.32266 8.19224 2.57378 -193.32105 784.22701
5350.0000 -202.17774 -192.14144 10.03630 2.64666 -191.94559 837.98674
5355.0000 -201.46898 -192.60061 8.86837 2.61488 -192.54538 801.26006
5360.0000 -203.22707 -194.09446 9.13261 2.57892 -193.22414 783.46335
5365.0000 -202.31390 -193.44975 8.86415 2.52043 -194.32811 766.00239
5370.0000 -201.44458 -193.23701 8.20757 2.52333 -194.27327 748.26554
5375.0000 -201.63392 -193.79011 7.84381 2.51226 -194.48226 742.45172
5380.0000 -203.01955 -194.78787 8.23168 2.55452 -193.68474 767.10411
5385.0000 -202.24656 -193.96431 8.28224 2.52642 -194.21498 726.04340
5390.0000 -202.45250 -195.00988 7.44262 2.49824 -194.74696 730.17745
5395.0000 -203.07240 -194.44897 8.62343 2.52531 -194.23602 748.90287
5400.0000 -202.27072 -194.99501 7.27571 2.50051 -194.70417 732.60979
5405.0000 -201.98395 -194.57717 7.40679 2.46634 -195.34897 727.27936
5410.0000 -201.06700 -193.58162 7.48539 2.55468 -193.68157 767.84440
5415.0000 -201.65465 -193.64133 8.01333 2.55482 -193.67907 767.88478
5420.0000 -202.34729 -194.38123 7.96606 2.54071 -193.94537 771.15361
5425.0000 -202.38896 -195.27484 7.11412 2.49722 -194.76617 725.15481
5430.0000 -202.80908 -194.78629 8.02280 2.52113 -194.31482 744.62632
5435.0000 -203.79461 -195.72116 8.07345 2.49538 -194.80092 741.93482
5440.0000 -203.09032 -194.77734 8.31299 2.42802 -196.07226 695.84836
5445.0000 -202.20593 -194.92825 7.27768 2.50660 -194.58912 759.96601
5450.0000 -202.31071 -194.72521 7.58551 2.47484 -195.18863 734.72045
5455.0000 -201.75258 -193.18575 8.56682 2.55739 -193.63049 793.39721
5460.0000 -201.70223 -194.22524 7.47700 2.52660 -194.21163 746.66943
5465.0000 -203.26834 -194.93557 8.33277 2.51553 -194.42061 767.91120
5470.0000 -202.33986 -194.16407 8.17578 2.48422 -195.01158 742.11333
5475.0000 -202.12952 -194.46756 7.66196 2.50187 -194.67836 735.33647
5480.0000 -202.18303 -194.72389 7.45914 2.49744 -194.76194 763.71332
5485.0000 -204.64617 -196.34035 8.30582 2.46117 -195.44656 709.69568
5490.0000 -203.39241 -196.18166 7.21075 2.36986 -197.16999 663.61510
5495.0000 -203.64489 -195.52785 8.11704 2.45731 -195.51954 718.28067
5500.0000 -202.12544 -192.86558 9.25986 2.51278 -194.47254 766.28539
FREEZING PROCESS: loop number 23 T-loop= 720.00000000000000
main_MD> interactions number 23 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84448 0.03939 -1.91003
force_rgl> df(natom) -4.45128 -3.33671 2.84423
5505.0000 -201.70585 -194.31446 7.39139 2.56866 -193.41775 807.45176
5510.0000 -203.26282 -195.88662 7.37620 2.49782 -194.75489 749.12733
5515.0000 -202.52656 -194.65505 7.87150 2.45344 -195.59248 710.30773
5520.0000 -202.32864 -194.52545 7.80319 2.53845 -193.98799 787.78911
5525.0000 -203.40298 -194.71295 8.69003 2.49536 -194.80134 709.44743
5530.0000 -202.88609 -194.83469 8.05140 2.47261 -195.23059 723.59205
5535.0000 -201.40964 -194.46584 6.94380 2.54030 -193.95313 763.35344
5540.0000 -204.04165 -196.25144 7.79022 2.47016 -195.27690 719.08633
5545.0000 -204.79483 -197.91342 6.88141 2.35453 -197.45943 641.23474
5550.0000 -202.73986 -195.39805 7.34181 2.37186 -197.13220 660.25741
5555.0000 -202.62348 -194.71296 7.91052 2.46484 -195.37732 723.38967
5560.0000 -203.86937 -195.85743 8.01194 2.46464 -195.38119 723.67824
5565.0000 -204.08989 -196.47585 7.61404 2.39793 -196.64014 698.57465
5570.0000 -203.81048 -195.29135 8.51914 2.43926 -195.86010 705.01228
5575.0000 -203.97377 -198.09020 5.88357 2.39583 -196.67977 677.75160
5580.0000 -203.55761 -197.32798 6.22962 2.33717 -197.78712 629.10006
5585.0000 -204.36720 -197.15089 7.21631 2.38442 -196.89513 676.47448
5590.0000 -203.42385 -195.48802 7.93583 2.41950 -196.23302 721.26348
5595.0000 -202.99050 -195.04056 7.94994 2.47452 -195.19469 734.88864
5600.0000 -203.30039 -195.78894 7.51144 2.42354 -196.15691 702.05999
5605.0000 -202.98993 -196.72651 6.26342 2.40640 -196.48044 679.83633
5610.0000 -203.52881 -196.69700 6.83182 2.37935 -196.99090 651.30061
5615.0000 -202.96880 -194.77246 8.19634 2.42019 -196.22005 690.53675
5620.0000 -203.83286 -196.52935 7.30351 2.45171 -195.62522 714.40195
5625.0000 -203.31254 -196.12496 7.18758 2.42052 -196.21389 687.02848
5630.0000 -202.96801 -195.43191 7.53611 2.48702 -194.95870 731.46290
5635.0000 -202.01898 -193.96744 8.05154 2.47785 -195.13169 696.90578
5640.0000 -201.02717 -193.82150 7.20567 2.53874 -193.98254 762.69125
5645.0000 -203.79166 -196.32707 7.46459 2.46569 -195.36122 713.50709
5650.0000 -201.50950 -194.14099 7.36851 2.48265 -195.04114 720.18142
5655.0000 -201.55543 -193.17479 8.38065 2.55370 -193.70016 770.80145
5660.0000 -203.29394 -196.15524 7.13870 2.48809 -194.93846 737.68601
5665.0000 -203.27319 -194.10050 9.17269 2.48153 -195.06225 716.89197
5670.0000 -201.89388 -194.41984 7.47403 2.52334 -194.27313 743.73939
5675.0000 -202.09044 -194.21617 7.87427 2.53845 -193.98791 760.12011
5680.0000 -202.39935 -192.95609 9.44325 2.56411 -193.50373 773.97031
5685.0000 -201.73210 -193.34063 8.39147 2.55656 -193.64616 777.22759
5690.0000 -204.22327 -197.46437 6.75890 2.44948 -195.66731 718.80954
5695.0000 -204.52654 -197.24783 7.27871 2.33338 -197.85863 628.17518
5700.0000 -203.66466 -197.33401 6.33064 2.35304 -197.48752 630.57103
5705.0000 -204.78753 -197.76696 7.02057 2.32619 -197.99432 636.24353
5710.0000 -205.49921 -198.55981 6.93941 2.31150 -198.27163 651.26500
5715.0000 -205.02396 -198.05676 6.96720 2.32895 -197.94223 670.35812
5720.0000 -203.77575 -196.80697 6.96877 2.37298 -197.11110 702.20881
5725.0000 -204.71385 -196.86941 7.84445 2.41219 -196.37110 681.97290
5730.0000 -204.51052 -198.19104 6.31948 2.36262 -197.30669 667.58100
5735.0000 -204.65457 -197.80052 6.85405 2.31846 -198.14010 620.78331
5740.0000 -204.79270 -198.91622 5.87648 2.29744 -198.53694 623.87554
5745.0000 -204.41526 -197.33884 7.07643 2.35402 -197.46898 667.75095
5750.0000 -204.81031 -197.16997 7.64034 2.35677 -197.41714 678.69427
FREEZING PROCESS: loop number 24 T-loop= 695.00000000000000
main_MD> interactions number 24 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81307 1.84860 1.62844
force_rgl> df(natom) -0.09237 0.15771 5.06252
5755.0000 -205.28105 -199.15032 6.13072 2.33013 -197.91987 639.64958
5760.0000 -203.24929 -197.23159 6.01769 2.34533 -197.63309 632.35114
5765.0000 -204.32915 -197.02684 7.30231 2.39113 -196.76850 663.40812
5770.0000 -203.28761 -196.42605 6.86156 2.39469 -196.70139 676.83004
5775.0000 -204.23353 -197.24269 6.99085 2.39379 -196.71831 678.09191
5780.0000 -204.79180 -197.56772 7.22408 2.37386 -197.09452 682.52485
5785.0000 -202.78904 -196.88893 5.90011 2.37124 -197.14391 666.38969
5790.0000 -204.40828 -197.75722 6.65106 2.32258 -198.06233 632.84426
5795.0000 -204.87542 -198.33821 6.53721 2.34754 -197.59135 659.53050
5800.0000 -204.80986 -197.05484 7.75502 2.33004 -197.92166 664.90825
5805.0000 -204.56006 -197.56280 6.99726 2.33349 -197.85649 635.18943
5810.0000 -203.48804 -196.62439 6.86365 2.38683 -196.84968 660.02757
5815.0000 -202.54064 -195.99385 6.54679 2.43403 -195.95886 702.29495
5820.0000 -203.80207 -196.24364 7.55843 2.41261 -196.36319 668.66040
5825.0000 -201.15359 -194.16416 6.98943 2.42209 -196.18413 651.03843
5830.0000 -202.06389 -195.09331 6.97058 2.49296 -194.84662 698.03499
5835.0000 -203.62445 -196.19367 7.43079 2.50027 -194.70861 718.35847
5840.0000 -204.69053 -197.82942 6.86111 2.40027 -196.59596 679.02696
5845.0000 -204.32110 -196.45156 7.86955 2.35301 -197.48804 647.77936
5850.0000 -203.15303 -195.92227 7.23076 2.38906 -196.80755 675.72447
5855.0000 -203.98389 -195.97705 8.00684 2.42985 -196.03778 690.87702
5860.0000 -202.76216 -195.61949 7.14267 2.46570 -195.36119 726.90912
5865.0000 -203.71526 -195.76028 7.95498 2.40440 -196.51819 687.64463
5870.0000 -203.07105 -196.34471 6.72634 2.43104 -196.01532 699.73763
5875.0000 -203.92686 -195.86610 8.06076 2.45172 -195.62499 682.88876
5880.0000 -202.87834 -194.31221 8.56613 2.46635 -195.34883 724.42159
5885.0000 -202.05736 -194.89351 7.16384 2.50535 -194.61279 753.19506
5890.0000 -201.82391 -195.20204 6.62187 2.49259 -194.85348 724.63099
5895.0000 -204.22474 -195.91695 8.30779 2.45600 -195.54416 722.34426
5900.0000 -203.16899 -195.51371 7.65527 2.46669 -195.34236 724.82927
5905.0000 -202.81260 -195.75722 7.05537 2.46488 -195.37660 686.53750
5910.0000 -202.77443 -194.10185 8.67259 2.46905 -195.29782 712.44470
5915.0000 -202.29868 -194.42342 7.87526 2.49066 -194.89000 755.48962
5920.0000 -202.97028 -195.62075 7.34953 2.50900 -194.54391 760.36740
5925.0000 -204.22173 -196.40937 7.81236 2.40189 -196.56552 684.65768
5930.0000 -204.96886 -198.02892 6.93994 2.40738 -196.46183 691.48834
5935.0000 -203.53693 -196.37676 7.16017 2.39050 -196.78037 688.94419
5940.0000 -203.01283 -195.40583 7.60700 2.39889 -196.62208 689.83412
5945.0000 -202.17341 -194.79562 7.37779 2.46886 -195.30138 739.09713
5950.0000 -202.98217 -195.58769 7.39448 2.48061 -195.07960 734.07500
5955.0000 -203.79743 -197.61384 6.18360 2.38971 -196.79533 669.51928
5960.0000 -203.47127 -196.83088 6.64039 2.37222 -197.12548 655.19272
5965.0000 -204.39235 -197.68643 6.70592 2.38078 -196.96385 649.09964
5970.0000 -203.31724 -195.91118 7.40606 2.40670 -196.47477 670.04509
5975.0000 -203.91004 -197.05504 6.85501 2.42637 -196.10343 699.40148
5980.0000 -204.26517 -196.87812 7.38705 2.36191 -197.32000 653.70721
5985.0000 -204.96266 -198.29991 6.66275 2.33890 -197.75431 658.83592
5990.0000 -205.14168 -196.92428 8.21740 2.34676 -197.60611 647.66776
5995.0000 -204.43881 -196.85376 7.58504 2.34390 -197.65996 640.88401
6000.0000 -203.67882 -196.41395 7.26486 2.40497 -196.50731 690.21480
FREEZING PROCESS: loop number 25 T-loop= 670.00000000000000
main_MD> interactions number 25 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.95197 -1.00588 0.08629
force_rgl> df(natom) -2.51815 2.46255 -0.66081
6005.0000 -203.37803 -195.61214 7.76588 2.40258 -196.55242 668.87396
6010.0000 -204.67230 -196.61736 8.05494 2.39003 -196.78939 677.70957
6015.0000 -203.55822 -196.20529 7.35293 2.40692 -196.47055 686.64932
6020.0000 -203.12161 -195.18490 7.93671 2.45772 -195.51169 730.92812
6025.0000 -203.82033 -196.87883 6.94149 2.45167 -195.62590 703.16800
6030.0000 -203.62245 -196.17741 7.44504 2.43911 -195.86306 700.26680
6035.0000 -204.33344 -197.25911 7.07433 2.37948 -196.98840 639.76863
6040.0000 -203.26746 -197.05991 6.20754 2.39140 -196.76343 669.20223
6045.0000 -203.41466 -196.72555 6.68911 2.36076 -197.34174 633.36616
6050.0000 -202.63625 -194.86637 7.76989 2.45388 -195.58420 715.16971
6055.0000 -202.82876 -196.21288 6.61588 2.44446 -195.76191 697.94421
6060.0000 -202.69178 -196.22471 6.46708 2.38452 -196.89327 656.24402
6065.0000 -203.38727 -197.05709 6.33018 2.36648 -197.23386 661.83266
6070.0000 -203.46349 -197.27958 6.18391 2.34012 -197.73138 642.05765
6075.0000 -203.29590 -197.55081 5.74509 2.35930 -197.36928 625.98525
6080.0000 -205.44316 -199.08340 6.35976 2.34547 -197.63036 636.51615
6085.0000 -205.62123 -199.32385 6.29737 2.25378 -199.36102 575.66536
6090.0000 -204.14827 -197.18836 6.95991 2.33596 -197.80996 637.63450
6095.0000 -203.91113 -196.51375 7.39739 2.36052 -197.34640 655.29010
6100.0000 -204.51147 -197.90134 6.61014 2.37216 -197.12667 648.22015
6105.0000 -205.50686 -198.56434 6.94252 2.35568 -197.43770 647.37080
6110.0000 -203.33503 -196.68530 6.64973 2.37829 -197.01098 662.57862
6115.0000 -203.79577 -196.64316 7.15260 2.43865 -195.87173 684.47511
6120.0000 -203.98318 -195.46649 8.51669 2.41192 -196.37620 687.72085
6125.0000 -203.95348 -196.43380 7.51968 2.44293 -195.79085 690.25611
6130.0000 -203.33983 -196.82501 6.51482 2.39336 -196.72650 668.31334
6135.0000 -203.17486 -196.55119 6.62366 2.44626 -195.72796 711.48321
6140.0000 -203.73807 -195.87473 7.86334 2.38755 -196.83619 663.19091
6145.0000 -203.84132 -197.31063 6.53068 2.37579 -197.05819 639.56955
6150.0000 -202.76896 -196.51103 6.25793 2.37888 -196.99972 649.47000
6155.0000 -202.97834 -194.44072 8.53762 2.41475 -196.32270 683.31497
6160.0000 -201.66653 -193.53604 8.13049 2.53290 -194.09268 748.89734
6165.0000 -203.26936 -196.25155 7.01781 2.48833 -194.93401 705.82210
6170.0000 -204.57424 -196.18254 8.39170 2.39394 -196.71562 679.70435
6175.0000 -203.86608 -195.61812 8.24796 2.43990 -195.84815 737.72209
6180.0000 -203.82248 -196.10004 7.72244 2.43531 -195.93474 698.44365
6185.0000 -203.61981 -196.65221 6.96761 2.41676 -196.28490 683.04333
6190.0000 -204.42693 -196.76141 7.66552 2.39160 -196.75978 679.55335
6195.0000 -203.77435 -196.18572 7.58863 2.40021 -196.59721 684.32335
6200.0000 -203.16643 -196.06088 7.10555 2.42726 -196.08656 694.31816
6205.0000 -203.14325 -195.61640 7.52685 2.43532 -195.93449 688.22025
6210.0000 -200.98140 -193.66490 7.31649 2.50035 -194.70715 733.16723
6215.0000 -202.10363 -194.61292 7.49071 2.50896 -194.54455 736.30156
6220.0000 -202.28903 -194.04628 8.24275 2.52966 -194.15391 739.32157
6225.0000 -204.42838 -197.22689 7.20148 2.44793 -195.69652 687.75936
6230.0000 -202.60047 -194.76824 7.83223 2.42480 -196.13301 708.15134
6235.0000 -202.67200 -195.43551 7.23649 2.46822 -195.31362 724.92126
6240.0000 -203.92346 -196.18645 7.73701 2.44452 -195.76086 701.70733
6245.0000 -205.37962 -197.95120 7.42842 2.35202 -197.50672 653.25765
6250.0000 -204.61085 -197.20920 7.40165 2.33325 -197.86104 637.35183
FREEZING PROCESS: loop number 26 T-loop= 645.00000000000000
main_MD> interactions number 26 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.82881 1.10682 -2.33582
force_rgl> df(natom) -2.89973 3.06843 0.96475
6255.0000 -204.69151 -197.60527 7.08624 2.37043 -197.15920 643.38357
6260.0000 -205.17773 -197.54486 7.63287 2.35889 -197.37714 649.89657
6265.0000 -204.13734 -196.55208 7.58526 2.36186 -197.32108 652.20623
6270.0000 -204.65752 -198.20084 6.45668 2.33201 -197.88440 632.33412
6275.0000 -204.53657 -197.70055 6.83602 2.31888 -198.13229 618.94734
6280.0000 -203.56053 -196.40124 7.15929 2.34830 -197.57702 625.85086
6285.0000 -204.71198 -196.95113 7.76084 2.36675 -197.22874 645.57327
6290.0000 -204.84503 -198.88614 5.95889 2.35529 -197.44510 647.26581
6295.0000 -205.19623 -198.39919 6.79704 2.30524 -198.38967 622.27178
6300.0000 -205.44184 -198.84262 6.59922 2.29174 -198.64457 618.31658
6305.0000 -204.87226 -198.72570 6.14657 2.30490 -198.39606 607.27231
6310.0000 -204.76389 -198.24963 6.51427 2.27976 -198.87068 592.78905
6315.0000 -203.58095 -197.84483 5.73612 2.30837 -198.33055 625.01980
6320.0000 -205.14559 -197.60921 7.53638 2.34154 -197.70461 628.42968
6325.0000 -202.43414 -195.49333 6.94081 2.38704 -196.84578 651.27767
6330.0000 -202.42667 -195.43339 6.99328 2.42535 -196.12265 683.75182
6335.0000 -204.19307 -197.30962 6.88345 2.39452 -196.70455 682.47834
6340.0000 -205.23920 -198.71866 6.52054 2.32676 -197.98344 641.08247
6345.0000 -204.68819 -198.25752 6.43067 2.29551 -198.57340 609.98351
6350.0000 -205.84882 -197.89038 7.95844 2.29582 -198.56754 623.37325
6355.0000 -204.78501 -196.85370 7.93131 2.36935 -197.17960 681.77236
6360.0000 -203.60663 -197.76054 5.84608 2.39092 -196.77246 670.49704
6365.0000 -203.88067 -196.71927 7.16140 2.36681 -197.22757 656.57587
6370.0000 -205.31825 -198.94905 6.36920 2.35316 -197.48523 666.61436
6375.0000 -204.24663 -198.13768 6.10895 2.31096 -198.28179 637.70900
6380.0000 -204.90662 -198.20160 6.70503 2.31380 -198.22812 610.27896
6385.0000 -205.67791 -199.82892 5.84899 2.26078 -199.22883 583.16835
6390.0000 -205.36138 -198.61393 6.74746 2.23789 -199.66090 585.99500
6395.0000 -205.27624 -197.79287 7.48337 2.31142 -198.27308 626.00193
6400.0000 -205.82948 -198.86802 6.96146 2.33308 -197.86424 635.05871
6405.0000 -204.25931 -197.52126 6.73805 2.34171 -197.70134 635.07385
6410.0000 -204.73342 -196.92862 7.80480 2.33559 -197.81690 654.61810
6415.0000 -204.40351 -197.80978 6.59373 2.39913 -196.61766 666.40851
6420.0000 -205.04837 -198.61138 6.43699 2.28744 -198.72568 619.57433
6425.0000 -204.23141 -197.16779 7.06362 2.32050 -198.10173 629.15615
6430.0000 -205.23436 -198.36989 6.86447 2.36775 -197.20985 667.79041
6435.0000 -205.73821 -198.62956 7.10865 2.31188 -198.26445 616.22475
6440.0000 -204.06318 -196.86256 7.20062 2.34528 -197.63389 658.30741
6445.0000 -206.10783 -199.56108 6.54675 2.29947 -198.49869 630.72038
6450.0000 -204.71951 -198.82925 5.89026 2.24636 -199.50111 586.29089
6455.0000 -204.20430 -198.89073 5.31357 2.33190 -197.88659 621.62814
6460.0000 -204.22542 -197.92558 6.29984 2.29891 -198.50917 599.52497
6465.0000 -204.67928 -198.63916 6.04012 2.27612 -198.93932 577.22145
6470.0000 -206.03544 -198.26198 7.77346 2.31655 -198.17616 623.60213
6475.0000 -204.37639 -197.78391 6.59248 2.33568 -197.81512 635.38385
6480.0000 -204.27634 -197.18200 7.09433 2.35020 -197.54111 642.79270
6485.0000 -204.56309 -197.54443 7.01866 2.35917 -197.37172 660.48865
6490.0000 -205.06414 -197.69768 7.36646 2.32158 -198.08124 633.36985
6495.0000 -204.96358 -198.15123 6.81235 2.30321 -198.42793 625.15317
6500.0000 -204.09565 -197.39762 6.69803 2.32003 -198.11063 626.31818
FREEZING PROCESS: loop number 27 T-loop= 620.00000000000000
main_MD> interactions number 27 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.30479 -1.44738 1.88056
force_rgl> df(natom) -6.25680 -0.77805 -2.57740
6505.0000 -203.04696 -196.02950 7.01746 2.36838 -197.19790 644.44954
6510.0000 -203.80868 -196.15116 7.65752 2.39045 -196.78145 667.67585
6515.0000 -204.88948 -197.45045 7.43903 2.40439 -196.51822 684.55636
6520.0000 -205.12611 -199.42966 5.69645 2.31884 -198.13294 613.27411
6525.0000 -204.35821 -198.14688 6.21132 2.26892 -199.07516 576.93346
6530.0000 -204.63683 -199.07011 5.56672 2.29158 -198.64754 602.83212
6535.0000 -204.64200 -198.63563 6.00636 2.26713 -199.10907 591.61781
6540.0000 -204.69406 -197.59782 7.09624 2.29611 -198.56211 604.67338
6545.0000 -206.12972 -198.49664 7.63308 2.32260 -198.06211 624.60147
6550.0000 -205.97183 -199.97338 5.99845 2.27511 -198.95833 591.29687
6555.0000 -205.61396 -199.76219 5.85176 2.20736 -200.23716 556.35784
6560.0000 -204.78142 -197.93166 6.84975 2.27266 -199.00463 589.09405
6565.0000 -204.86922 -199.13879 5.73043 2.30481 -198.39776 613.89598
6570.0000 -204.17824 -197.97985 6.19839 2.30670 -198.36207 604.61897
6575.0000 -204.67299 -198.24906 6.42393 2.32953 -197.93127 628.69637
6580.0000 -204.44920 -196.97916 7.47003 2.31873 -198.13508 655.31324
6585.0000 -204.26391 -196.72559 7.53832 2.35866 -197.38152 689.03679
6590.0000 -204.02423 -197.57581 6.44842 2.36191 -197.32010 645.68650
6595.0000 -204.38754 -197.79400 6.59354 2.30973 -198.30500 611.71396
6600.0000 -204.58355 -198.21299 6.37056 2.29104 -198.65780 599.05253
6605.0000 -204.95878 -198.09182 6.86696 2.32703 -197.97835 647.06834
6610.0000 -205.85140 -198.80852 7.04289 2.29688 -198.54758 619.43017
6615.0000 -204.49577 -198.70286 5.79290 2.28965 -198.68398 604.05741
6620.0000 -204.16702 -198.19813 5.96889 2.27852 -198.89401 587.88897
6625.0000 -204.90168 -198.27271 6.62896 2.31514 -198.20293 615.16866
6630.0000 -204.64215 -198.00273 6.63942 2.31426 -198.21953 624.20351
6635.0000 -204.62634 -198.53054 6.09580 2.29141 -198.65071 633.52307
6640.0000 -205.73866 -199.20866 6.53000 2.26322 -199.18274 597.71795
6645.0000 -203.16443 -197.14455 6.01988 2.31604 -198.18584 624.68796
6650.0000 -205.04312 -198.76958 6.27354 2.32544 -198.00847 622.80865
6655.0000 -205.37225 -198.99032 6.38193 2.29227 -198.63449 584.63739
6660.0000 -204.36244 -197.33960 7.02285 2.30769 -198.34340 615.72988
6665.0000 -205.45435 -198.32815 7.12620 2.32881 -197.94479 620.79269
6670.0000 -205.70719 -199.45629 6.25091 2.25370 -199.36247 613.28709
6675.0000 -205.65388 -199.27196 6.38192 2.23118 -199.78754 605.91444
6680.0000 -205.85560 -199.95664 5.89896 2.24430 -199.53996 615.74392
6685.0000 -205.72292 -199.99270 5.73022 2.25501 -199.33783 614.70732
6690.0000 -205.33396 -199.10133 6.23263 2.24919 -199.44759 594.91738
6695.0000 -206.15207 -200.27217 5.87990 2.24174 -199.58819 581.46639
6700.0000 -205.93454 -199.60681 6.32773 2.22468 -199.91016 592.47966
6705.0000 -205.98385 -199.85150 6.13235 2.21918 -200.01403 578.50125
6710.0000 -205.38966 -198.92988 6.45977 2.25733 -199.29400 599.29694
6715.0000 -205.84885 -199.54400 6.30484 2.25828 -199.27598 581.07065
6720.0000 -205.36403 -198.38759 6.97643 2.25319 -199.37214 597.51591
6725.0000 -204.35736 -197.92059 6.43677 2.33385 -197.84976 635.41228
6730.0000 -205.32383 -197.20770 8.11612 2.32304 -198.05369 624.73514
6735.0000 -205.29276 -197.96735 7.32541 2.35484 -197.45358 668.54930
6740.0000 -204.94602 -198.49831 6.44771 2.30430 -198.40753 629.13519
6745.0000 -205.28713 -198.08708 7.20004 2.32880 -197.94503 636.10108
6750.0000 -205.16542 -198.56116 6.60425 2.28543 -198.76362 608.10626
FREEZING PROCESS: loop number 28 T-loop= 595.00000000000000
main_MD> interactions number 28 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29991 -1.08593 -0.10758
force_rgl> df(natom) 2.87965 -3.41858 2.95529
6755.0000 -204.62130 -198.16496 6.45634 2.29091 -198.66010 579.90670
6760.0000 -205.76075 -199.87484 5.88591 2.31454 -198.21422 607.03000
6765.0000 -205.26096 -197.81767 7.44329 2.27851 -198.89427 607.35697
6770.0000 -204.19853 -197.53648 6.66205 2.31547 -198.19670 628.86144
6775.0000 -204.56637 -197.66532 6.90104 2.35679 -197.41680 648.17779
6780.0000 -204.97747 -197.73854 7.23893 2.33933 -197.74622 627.48329
6785.0000 -204.31743 -198.30678 6.01065 2.32618 -197.99455 617.30412
6790.0000 -204.74530 -199.23880 5.50649 2.28052 -198.85622 575.81439
6795.0000 -206.89410 -200.48812 6.40598 2.24677 -199.49335 580.01434
6800.0000 -205.06591 -199.94315 5.12276 2.22602 -199.88490 573.77020
6805.0000 -206.74475 -200.36872 6.37603 2.20022 -200.37195 545.98749
6810.0000 -207.03509 -201.24992 5.78517 2.15476 -201.22997 542.96175
6815.0000 -207.17686 -200.86921 6.30765 2.16944 -200.95281 556.42768
6820.0000 -206.03620 -199.09858 6.93762 2.20344 -200.31114 574.97354
6825.0000 -206.54127 -200.28880 6.25246 2.24579 -199.51178 613.68145
6830.0000 -206.44228 -200.09972 6.34256 2.16837 -200.97314 553.12505
6835.0000 -205.56831 -199.70768 5.86063 2.21852 -200.02645 594.48262
6840.0000 -207.20687 -201.22155 5.98533 2.19517 -200.46713 575.29006
6845.0000 -206.49479 -200.72222 5.77257 2.19126 -200.54100 574.39247
6850.0000 -204.71681 -198.78810 5.92871 2.24082 -199.60567 592.09994
6855.0000 -206.01563 -200.18472 5.83091 2.24015 -199.61818 581.04691
6860.0000 -206.69429 -200.62078 6.07351 2.20028 -200.37080 563.66007
6865.0000 -206.26872 -199.90699 6.36174 2.17023 -200.93786 540.92761
6870.0000 -206.50832 -199.79710 6.71122 2.24014 -199.61844 592.87181
6875.0000 -206.88318 -200.49707 6.38611 2.22041 -199.99090 599.80926
6880.0000 -207.61632 -201.59141 6.02491 2.13645 -201.57545 559.15337
6885.0000 -206.62386 -200.25537 6.36849 2.18234 -200.70944 574.17919
6890.0000 -205.61894 -199.04326 6.57568 2.21919 -200.01382 591.89549
6895.0000 -205.42135 -198.83160 6.58975 2.29891 -198.50923 625.45606
6900.0000 -205.32008 -198.76092 6.55916 2.27733 -198.91645 593.14022
6905.0000 -205.04305 -199.21058 5.83247 2.27003 -199.05430 603.06849
6910.0000 -205.19623 -200.01991 5.17631 2.24652 -199.49803 585.96775
6915.0000 -205.71638 -198.98085 6.73553 2.23830 -199.65312 575.65302
6920.0000 -206.08709 -199.76695 6.32014 2.26174 -199.21082 607.07737
6925.0000 -204.62221 -198.09679 6.52542 2.26390 -199.16998 611.14493
6930.0000 -206.23853 -198.08303 8.15551 2.29703 -198.54459 625.93303
6935.0000 -206.50588 -199.73713 6.76875 2.26285 -199.18986 597.36011
6940.0000 -206.34724 -199.47954 6.86769 2.23195 -199.77308 592.89411
6945.0000 -205.85975 -200.48992 5.36983 2.23601 -199.69646 622.05819
6950.0000 -205.83031 -198.97286 6.85744 2.22993 -199.81118 569.83794
6955.0000 -206.63085 -200.49793 6.13292 2.24361 -199.55300 599.89725
6960.0000 -205.93229 -200.01272 5.91957 2.20296 -200.32022 569.63543
6965.0000 -206.25141 -199.91719 6.33422 2.22801 -199.84741 590.55410
6970.0000 -206.80412 -200.21816 6.58596 2.20857 -200.21438 566.37406
6975.0000 -206.70931 -199.87799 6.83132 2.16915 -200.95842 553.32204
6980.0000 -205.83344 -199.93511 5.89833 2.19897 -200.39541 562.49909
6985.0000 -206.18379 -199.31522 6.86856 2.20241 -200.33054 563.56174
6990.0000 -206.67754 -200.53326 6.14428 2.21368 -200.11783 570.83124
6995.0000 -206.69763 -199.90860 6.78903 2.22385 -199.92597 578.33416
7000.0000 -205.58556 -198.97983 6.60573 2.24746 -199.48035 583.60208
FREEZING PROCESS: loop number 29 T-loop= 570.00000000000000
main_MD> interactions number 29 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.24259 -1.80243 -0.64261
force_rgl> df(natom) 0.53532 0.15670 -1.34878
7005.0000 -205.88233 -198.61717 7.26516 2.29361 -198.60921 617.76687
7010.0000 -205.00219 -199.40084 5.60135 2.27718 -198.91932 583.20051
7015.0000 -205.08527 -199.31881 5.76647 2.23566 -199.70308 551.86729
7020.0000 -206.02912 -199.40195 6.62717 2.25044 -199.42403 577.56331
7025.0000 -206.19119 -199.58412 6.60707 2.23055 -199.79942 602.41375
7030.0000 -206.74445 -200.76784 5.97662 2.19126 -200.54101 562.06665
7035.0000 -206.60916 -200.58196 6.02720 2.21427 -200.10668 578.77704
7040.0000 -206.14729 -200.60463 5.54266 2.23133 -199.78464 581.35779
7045.0000 -206.05574 -199.94122 6.11453 2.22791 -199.84936 559.48544
7050.0000 -206.08707 -200.42050 5.66658 2.20659 -200.25170 551.77770
7055.0000 -205.85124 -198.93300 6.91824 2.25485 -199.34077 583.22374
7060.0000 -204.76007 -199.95358 4.80650 2.25209 -199.39292 564.54059
7065.0000 -206.64588 -200.95771 5.68817 2.16769 -200.98587 494.96657
7070.0000 -205.55589 -198.68325 6.87264 2.21516 -200.08992 559.18455
7075.0000 -205.81073 -200.16974 5.64099 2.24814 -199.46745 581.61049
7080.0000 -205.61216 -199.50630 6.10586 2.28359 -198.79831 625.25476
7085.0000 -206.88802 -200.17376 6.71426 2.24656 -199.49721 601.92557
7090.0000 -204.34066 -198.20817 6.13249 2.27369 -198.98511 596.98275
7095.0000 -204.90145 -198.70707 6.19438 2.28112 -198.84487 595.22574
7100.0000 -206.06240 -199.29913 6.76327 2.28180 -198.83215 601.00898
7105.0000 -206.66099 -199.54164 7.11934 2.26906 -199.07264 594.49104
7110.0000 -205.92430 -198.73120 7.19310 2.27231 -199.01130 595.38889
7115.0000 -205.44258 -199.24715 6.19543 2.25790 -199.28316 582.17136
7120.0000 -204.73603 -198.78296 5.95308 2.26154 -199.21453 590.39185
7125.0000 -205.95436 -200.82186 5.13250 2.24582 -199.51118 564.33493
7130.0000 -206.04650 -200.44218 5.60432 2.21028 -200.18211 531.69464
7135.0000 -205.61368 -198.83295 6.78073 2.24704 -199.48812 569.60506
7140.0000 -204.02987 -197.61858 6.41129 2.31211 -198.26012 623.67439
7145.0000 -205.37932 -199.32899 6.05033 2.31050 -198.29047 611.30488
7150.0000 -205.84416 -198.32639 7.51776 2.26787 -199.09513 601.41457
7155.0000 -205.55341 -199.09413 6.45929 2.29204 -198.63884 613.08542
7160.0000 -205.87507 -199.43694 6.43812 2.26154 -199.21445 574.68370
7165.0000 -204.49185 -197.81415 6.67770 2.31950 -198.12061 617.97770
7170.0000 -206.65600 -200.41242 6.24358 2.26205 -199.20496 581.38087
7175.0000 -205.31920 -200.11051 5.20869 2.19989 -200.37816 535.39303
7180.0000 -206.67126 -199.86767 6.80358 2.24789 -199.47225 578.41809
7185.0000 -206.86621 -201.60722 5.25899 2.18077 -200.73897 548.83744
7190.0000 -206.92366 -199.93969 6.98397 2.15754 -201.17750 559.32715
7195.0000 -206.67614 -200.12958 6.54656 2.19844 -200.40557 596.63110
7200.0000 -206.53988 -199.96203 6.57785 2.22892 -199.83017 619.01932
7205.0000 -206.78001 -201.53396 5.24605 2.18115 -200.73187 568.21286
7210.0000 -206.27123 -199.98870 6.28252 2.19793 -200.41512 549.39494
7215.0000 -206.29195 -200.92751 5.36444 2.19497 -200.47097 561.19729
7220.0000 -205.59468 -199.30256 6.29212 2.18385 -200.68094 555.75123
7225.0000 -205.92377 -199.23418 6.68959 2.21532 -200.08688 569.17431
7230.0000 -205.89065 -200.11311 5.77754 2.25318 -199.37228 590.85872
7235.0000 -206.21144 -200.31471 5.89672 2.20783 -200.22831 557.98632
7240.0000 -206.68667 -200.12908 6.55759 2.21393 -200.11318 561.34934
7245.0000 -206.08743 -200.39952 5.68791 2.21506 -200.09182 576.52863
7250.0000 -206.63159 -199.93720 6.69439 2.21168 -200.15570 562.66859
FREEZING PROCESS: loop number 30 T-loop= 545.00000000000000
main_MD> interactions number 30 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55725 0.16661 0.49596
force_rgl> df(natom) 0.42959 -1.57944 0.76665
7255.0000 -206.37217 -199.95134 6.42083 2.22915 -199.82579 587.67462
7260.0000 -206.81497 -200.36864 6.44633 2.18456 -200.66741 549.61078
7265.0000 -206.57652 -201.13892 5.43760 2.20560 -200.27029 558.16814
7270.0000 -207.37707 -201.58490 5.79217 2.14993 -201.32109 524.72500
7275.0000 -206.67529 -201.12397 5.55132 2.15175 -201.28683 529.27680
7280.0000 -206.80157 -201.22462 5.57694 2.19092 -200.54743 560.54505
7285.0000 -206.41446 -201.75370 4.66076 2.14992 -201.32130 525.36873
7290.0000 -207.51687 -202.48978 5.02709 2.13734 -201.55881 506.36232
7295.0000 -208.48793 -203.27345 5.21448 2.05426 -203.12674 467.24738
7300.0000 -207.95573 -202.47857 5.47715 2.08155 -202.61182 491.07704
7305.0000 -207.76140 -201.10233 6.65907 2.12700 -201.75393 525.57527
7310.0000 -206.51095 -200.79955 5.71139 2.16464 -201.04348 551.80780
7315.0000 -207.24042 -200.77434 6.46608 2.15394 -201.24535 531.51905
7320.0000 -206.65701 -200.88042 5.77660 2.17315 -200.88286 548.43895
7325.0000 -206.54596 -201.13994 5.40602 2.15045 -201.31131 534.12885
7330.0000 -206.87330 -201.30338 5.56992 2.16196 -201.09395 522.04620
7335.0000 -205.89718 -199.41143 6.48575 2.19899 -200.39520 555.33450
7340.0000 -206.15236 -200.71814 5.43422 2.21061 -200.17586 518.55103
7345.0000 -206.69664 -200.57041 6.12623 2.18829 -200.59711 534.04469
7350.0000 -205.81249 -199.66747 6.14502 2.18505 -200.65832 539.45225
7355.0000 -206.34867 -200.38914 5.95953 2.18645 -200.63173 549.05559
7360.0000 -205.94743 -200.17372 5.77370 2.19418 -200.48598 554.79681
7365.0000 -204.76229 -198.61186 6.15044 2.25421 -199.35294 614.68542
7370.0000 -204.87440 -199.05039 5.82402 2.28207 -198.82698 611.01281
7375.0000 -205.94756 -199.85853 6.08903 2.21002 -200.18698 558.20723
7380.0000 -207.32912 -201.25432 6.07480 2.18799 -200.60269 576.65726
7385.0000 -207.07047 -200.68301 6.38746 2.15725 -201.18291 554.74629
7390.0000 -207.51055 -201.11788 6.39266 2.17828 -200.78598 566.72431
7395.0000 -206.49819 -200.95493 5.54326 2.18386 -200.68073 544.24517
7400.0000 -206.19937 -200.43119 5.76818 2.16998 -200.94264 536.22595
7405.0000 -204.95349 -199.48815 5.46533 2.19772 -200.41909 555.18438
7410.0000 -206.12569 -200.32061 5.80508 2.19516 -200.46736 550.86912
7415.0000 -206.06080 -200.07275 5.98804 2.16693 -201.00016 545.96631
7420.0000 -205.05163 -199.23810 5.81353 2.23882 -199.64329 594.21065
7425.0000 -206.75409 -200.88362 5.87046 2.19521 -200.46647 552.82751
7430.0000 -206.76207 -200.98572 5.77635 2.17800 -200.79137 559.92923
7435.0000 -207.20142 -202.42544 4.77598 2.11409 -201.99748 506.11200
7440.0000 -205.94987 -201.14817 4.80169 2.11818 -201.92030 496.52493
7445.0000 -207.50681 -201.44865 6.05816 2.15822 -201.16472 514.92098
7450.0000 -205.92240 -200.57381 5.34859 2.15599 -201.20673 524.47879
7455.0000 -206.47547 -201.29990 5.17557 2.18180 -200.71952 535.88367
7460.0000 -207.05712 -200.78149 6.27564 2.17123 -200.91899 510.02695
7465.0000 -206.44646 -201.53707 4.90939 2.17216 -200.90150 523.86636
7470.0000 -206.92923 -201.18804 5.74118 2.13364 -201.62855 505.20507
7475.0000 -206.51891 -201.36556 5.15335 2.17045 -200.93379 527.57249
7480.0000 -207.30661 -201.04615 6.26046 2.16997 -200.94279 559.74392
7485.0000 -207.02153 -201.55631 5.46522 2.14725 -201.37162 541.75095
7490.0000 -207.71107 -201.27107 6.44001 2.14160 -201.47841 519.01020
7495.0000 -206.76394 -199.98584 6.77810 2.18055 -200.74311 553.05765
7500.0000 -206.10192 -200.28127 5.82064 2.21587 -200.07653 554.38925
FREEZING PROCESS: loop number 31 T-loop= 520.00000000000000
main_MD> interactions number 31 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27829 1.63233 -1.02418
force_rgl> df(natom) -0.67850 -1.85101 1.07856
7505.0000 -205.74254 -201.15587 4.58667 2.18251 -200.70616 533.20865
7510.0000 -206.93702 -201.07742 5.85960 2.16051 -201.12132 508.51978
7515.0000 -207.12665 -202.18940 4.93725 2.12387 -201.81291 496.09445
7520.0000 -207.82887 -203.13359 4.69528 2.10389 -202.19008 493.97166
7525.0000 -207.69950 -201.97035 5.72915 2.11416 -201.99632 514.85828
7530.0000 -206.99690 -201.03835 5.95856 2.14861 -201.34607 526.57654
7535.0000 -206.83199 -201.50242 5.32957 2.14520 -201.41046 508.71796
7540.0000 -207.34848 -201.87442 5.47406 2.14792 -201.35909 535.05325
7545.0000 -207.74609 -202.18406 5.56203 2.09895 -202.28339 501.03872
7550.0000 -206.84082 -201.56912 5.27170 2.12454 -201.80041 491.96238
7555.0000 -207.24570 -201.71581 5.52990 2.08950 -202.46178 466.23477
7560.0000 -206.08904 -201.14908 4.93996 2.12073 -201.87217 475.86643
7565.0000 -205.80344 -200.15398 5.64947 2.18985 -200.56755 531.81390
7570.0000 -206.88881 -201.05201 5.83680 2.16291 -201.07613 507.29033
7575.0000 -206.38666 -200.18946 6.19720 2.19137 -200.53901 549.50269
7580.0000 -206.01444 -200.23178 5.78266 2.22517 -199.90105 582.64547
7585.0000 -207.18567 -201.92845 5.25722 2.11796 -201.92444 485.26952
7590.0000 -206.43488 -201.55123 4.88366 2.15589 -201.20862 538.21760
7595.0000 -206.06003 -200.61719 5.44284 2.15567 -201.21268 529.17030
7600.0000 -206.79851 -200.77525 6.02325 2.18895 -200.58469 540.91481
7605.0000 -206.98378 -202.19184 4.79194 2.14197 -201.47136 508.95767
7610.0000 -206.88615 -200.33382 6.55234 2.13758 -201.55422 521.07990
7615.0000 -206.30893 -200.76413 5.54480 2.19741 -200.42497 560.69463
7620.0000 -207.27054 -201.93264 5.33790 2.16770 -200.98563 533.65223
7625.0000 -207.16266 -202.34512 4.81754 2.11086 -202.05856 476.82799
7630.0000 -207.48449 -201.63334 5.85115 2.11451 -201.98960 485.88561
7635.0000 -207.69706 -203.19577 4.50129 2.12361 -201.81789 501.64200
7640.0000 -207.12515 -201.80890 5.31625 2.09414 -202.37404 481.59031
7645.0000 -206.78947 -200.29934 6.49013 2.15161 -201.28933 516.01088
7650.0000 -205.72003 -200.77671 4.94332 2.20451 -200.29093 549.52726
7655.0000 -207.73079 -202.14390 5.58689 2.14063 -201.49664 512.46566
7660.0000 -206.70859 -201.57832 5.13027 2.14090 -201.49151 516.41787
7665.0000 -206.21338 -200.39506 5.81832 2.17731 -200.80427 529.26364
7670.0000 -206.51768 -201.04484 5.47284 2.21875 -200.02220 564.21676
7675.0000 -207.48798 -201.52479 5.96319 2.14774 -201.36248 534.27704
7680.0000 -206.90763 -202.02718 4.88045 2.12361 -201.81792 526.02811
7685.0000 -206.99611 -201.88308 5.11303 2.13068 -201.68452 527.42258
7690.0000 -207.33367 -200.41185 6.92182 2.17204 -200.90378 575.70856
7695.0000 -207.00512 -200.88906 6.11606 2.16293 -201.07578 577.83296
7700.0000 -207.86676 -201.22678 6.63997 2.17438 -200.85970 564.25249
7705.0000 -207.77988 -202.02862 5.75127 2.14223 -201.46646 567.51162
7710.0000 -207.83655 -201.89581 5.94073 2.09180 -202.41837 529.69482
7715.0000 -208.87591 -203.41282 5.46309 2.09713 -202.31777 535.47545
7720.0000 -208.52108 -203.68205 4.83904 2.03765 -203.44024 485.71821
7725.0000 -208.38625 -203.33912 5.04713 2.03160 -203.55456 481.12376
7730.0000 -209.08446 -203.55969 5.52477 2.02281 -203.72038 471.37730
7735.0000 -207.92758 -203.04481 4.88277 2.05878 -203.04160 509.54291
7740.0000 -209.05087 -203.13857 5.91230 2.05934 -203.03100 513.20224
7745.0000 -208.80483 -203.65054 5.15429 2.06102 -202.99920 509.54021
7750.0000 -207.90649 -202.14466 5.76183 2.05541 -203.10518 506.97155
FREEZING PROCESS: loop number 32 T-loop= 495.00000000000000
main_MD> interactions number 32 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.50178 -0.25253 -1.13643
force_rgl> df(natom) -1.37458 -1.21320 1.62960
7755.0000 -209.43276 -202.66525 6.76751 2.09170 -202.42011 528.15286
7760.0000 -208.28370 -202.38153 5.90217 2.10951 -202.08409 548.37976
7765.0000 -208.40705 -203.57131 4.83574 2.07774 -202.68363 513.66219
7770.0000 -209.10854 -204.10945 4.99909 2.01235 -203.91783 463.11507
7775.0000 -208.74444 -203.64241 5.10203 2.00063 -204.13908 444.01159
7780.0000 -208.29748 -204.04928 4.24820 1.99098 -204.32121 443.94072
7785.0000 -209.31546 -204.44838 4.86709 2.00845 -203.99156 465.98413
7790.0000 -208.66625 -203.71895 4.94730 2.02047 -203.76451 472.27330
7795.0000 -209.27612 -203.81382 5.46230 2.02796 -203.62318 489.03431
7800.0000 -209.08004 -203.92289 5.15715 2.00515 -204.05370 463.16624
7805.0000 -208.82560 -204.36471 4.46089 2.00167 -204.11953 452.55349
7810.0000 -209.02540 -204.42776 4.59764 1.99906 -204.16876 445.67776
7815.0000 -208.93616 -203.93319 5.00297 1.98735 -204.38965 437.96225
7820.0000 -208.70662 -203.23314 5.47347 2.00956 -203.97046 465.44716
7825.0000 -208.98129 -204.49204 4.48926 2.02252 -203.72592 480.62147
7830.0000 -209.17172 -204.43198 4.73974 1.98130 -204.50396 448.26525
7835.0000 -209.64758 -203.88724 5.76035 2.00548 -204.04757 475.79992
7840.0000 -209.20123 -204.32180 4.87943 1.98973 -204.34474 468.69327
7845.0000 -208.80201 -203.96728 4.83473 2.00316 -204.09138 472.73479
7850.0000 -208.77591 -203.88744 4.88846 2.04268 -203.34533 510.03053
7855.0000 -208.65903 -203.66707 4.99196 2.01392 -203.88824 484.39429
7860.0000 -209.62212 -203.69727 5.92485 2.02592 -203.66176 501.51891
7865.0000 -208.91206 -203.05258 5.85949 2.02788 -203.62478 502.86551
7870.0000 -208.20816 -202.52689 5.68127 2.06643 -202.89705 536.92650
7875.0000 -208.88729 -202.87819 6.00910 2.06340 -202.95424 525.57101
7880.0000 -208.48072 -203.47936 5.00137 2.05941 -203.02970 515.25909
7885.0000 -209.13113 -204.11552 5.01562 2.01710 -203.82820 491.68786
7890.0000 -209.33992 -204.24062 5.09930 2.00082 -204.13542 483.64963
7895.0000 -209.53550 -204.93074 4.60476 1.97180 -204.68330 461.52229
7900.0000 -209.51388 -204.10798 5.40589 1.94655 -205.15976 446.94037
7905.0000 -209.11849 -204.05019 5.06830 2.02395 -203.69890 498.59323
7910.0000 -209.15670 -203.91830 5.23840 2.01963 -203.78044 486.34076
7915.0000 -208.97265 -202.24825 6.72440 2.04550 -203.29226 508.04553
7920.0000 -208.71621 -204.05378 4.66243 2.04403 -203.31986 514.08905
7925.0000 -209.19386 -204.34012 4.85374 2.01435 -203.88015 493.14306
7930.0000 -208.43972 -203.93203 4.50769 2.02449 -203.68877 487.20428
7935.0000 -208.97466 -203.81217 5.16248 2.00618 -204.03440 476.84359
7940.0000 -209.73777 -204.42098 5.31679 2.01717 -203.82688 485.65137
7945.0000 -209.10300 -203.79879 5.30421 1.99343 -204.27503 473.17990
7950.0000 -208.61070 -202.73258 5.87811 2.04851 -203.23544 514.32270
7955.0000 -208.58445 -202.63358 5.95087 2.07355 -202.76283 523.51229
7960.0000 -209.34571 -204.25496 5.09074 2.04461 -203.30893 506.25881
7965.0000 -209.10647 -203.81784 5.28863 2.00383 -204.07873 492.65954
7970.0000 -209.67208 -203.68711 5.98497 1.99900 -204.16974 489.06069
7975.0000 -208.76786 -203.29204 5.47582 2.02257 -203.72497 500.55227
7980.0000 -208.19511 -202.64427 5.55084 2.03384 -203.51227 505.55670
7985.0000 -208.06714 -202.35904 5.70810 2.06802 -202.86716 520.06925
7990.0000 -208.77451 -203.66729 5.10722 2.06808 -202.86595 526.95394
7995.0000 -208.18116 -202.98421 5.19696 2.04727 -203.25878 498.23780
8000.0000 -209.16995 -203.33940 5.83055 2.05965 -203.02518 514.77712
FREEZING PROCESS: loop number 33 T-loop= 470.00000000000000
main_MD> interactions number 33 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.51866 -3.31704 -0.32034
force_rgl> df(natom) 2.09944 -0.07835 -0.04001
8005.0000 -208.85502 -203.59492 5.26010 2.02582 -203.66369 499.71237
8010.0000 -209.63782 -204.70190 4.93592 1.98810 -204.37565 471.52019
8015.0000 -209.52474 -205.30900 4.21574 1.95559 -204.98922 444.27727
8020.0000 -208.99925 -203.71950 5.27976 1.94977 -205.09909 455.56560
8025.0000 -208.82062 -203.27531 5.54530 2.04512 -203.29936 511.42352
8030.0000 -208.43708 -203.94695 4.49014 2.03107 -203.56453 499.71162
8035.0000 -209.56458 -203.81283 5.75175 2.00683 -204.02208 487.63329
8040.0000 -209.03898 -203.68534 5.35364 2.01854 -203.80107 505.82799
8045.0000 -209.88470 -204.87291 5.01179 2.01181 -203.92812 491.46297
8050.0000 -208.94419 -204.00785 4.93634 1.98720 -204.39262 472.65469
8055.0000 -209.29819 -204.54116 4.75703 1.99864 -204.17669 483.97096
8060.0000 -209.82329 -203.88823 5.93506 1.97800 -204.56618 458.72176
8065.0000 -209.46847 -204.44555 5.02292 1.98595 -204.41622 462.93528
8070.0000 -209.97118 -205.34064 4.63053 1.94432 -205.20192 432.55193
8075.0000 -209.70186 -205.04609 4.65577 1.95307 -205.03679 437.87059
8080.0000 -208.61578 -203.57907 5.03671 1.98992 -204.34120 472.24662
8085.0000 -209.01282 -204.61015 4.40268 1.99787 -204.19109 475.33432
8090.0000 -209.91508 -204.60199 5.31309 1.99386 -204.26688 477.69209
8095.0000 -209.83801 -204.57709 5.26093 2.00267 -204.10056 482.87631
8100.0000 -210.19968 -205.03337 5.16631 1.96355 -204.83891 438.99580
8105.0000 -209.24531 -204.79519 4.45013 1.97201 -204.67931 442.90393
8110.0000 -208.23767 -203.78014 4.45754 2.00374 -204.08046 462.52420
8115.0000 -208.22174 -202.63380 5.58794 2.04445 -203.31201 503.41328
8120.0000 -207.17172 -201.67532 5.49640 2.11915 -201.90205 530.87518
8125.0000 -208.68430 -203.92854 4.75576 2.08039 -202.63356 475.18668
8130.0000 -208.58291 -203.96616 4.61675 2.00830 -203.99436 429.94157
8135.0000 -208.24987 -203.49156 4.75831 2.03900 -203.41493 455.04327
8140.0000 -209.21496 -203.71199 5.50297 2.05736 -203.06836 470.47176
8145.0000 -208.47815 -203.72196 4.75619 2.01058 -203.95132 455.12154
8150.0000 -209.04225 -203.92076 5.12150 2.03992 -203.39753 483.07120
8155.0000 -207.88790 -202.45080 5.43710 2.04706 -203.26265 488.91819
8160.0000 -207.89161 -202.87501 5.01659 2.06669 -202.89222 499.49363
8165.0000 -209.34461 -203.93742 5.40719 2.06198 -202.98114 502.72817
8170.0000 -208.86601 -204.04506 4.82095 1.99531 -204.23948 456.93488
8175.0000 -209.12351 -204.21159 4.91193 2.01481 -203.87136 475.10904
8180.0000 -208.60303 -203.71247 4.89056 2.02088 -203.75691 477.88054
8185.0000 -208.86208 -203.54095 5.32112 2.02411 -203.69587 477.16984
8190.0000 -208.73758 -203.89641 4.84116 2.04767 -203.25114 488.53517
8195.0000 -209.37608 -204.46557 4.91051 2.02313 -203.71442 456.01350
8200.0000 -207.92121 -202.52025 5.40097 2.02236 -203.72891 444.65572
8205.0000 -208.82616 -203.79780 5.02836 2.05026 -203.20230 487.02410
8210.0000 -208.68397 -204.33328 4.35068 1.98827 -204.37235 435.63507
8215.0000 -208.66128 -204.35264 4.30863 1.99146 -204.31224 447.95993
8220.0000 -209.04305 -203.79948 5.24357 2.02257 -203.72502 463.26578
8225.0000 -208.02669 -202.88812 5.13856 2.00591 -204.03951 454.32953
8230.0000 -207.08944 -202.23636 4.85309 2.05817 -203.05298 493.34942
8235.0000 -208.72317 -203.80752 4.91565 2.04557 -203.29080 490.17161
8240.0000 -209.81621 -204.96675 4.84946 1.98345 -204.46337 455.18885
8245.0000 -208.77182 -203.64944 5.12238 1.98687 -204.39886 456.44706
8250.0000 -209.27715 -203.69370 5.58344 2.01982 -203.77694 471.30590
FREEZING PROCESS: loop number 34 T-loop= 445.00000000000000
main_MD> interactions number 34 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67099 1.29659 0.32965
force_rgl> df(natom) -0.93118 4.93170 3.04690
8255.0000 -209.04248 -204.28040 4.76208 2.00203 -204.11271 456.64196
8260.0000 -209.56745 -204.02253 5.54491 1.99324 -204.27860 447.80205
8265.0000 -208.72167 -203.46700 5.25467 2.02390 -203.69994 464.03712
8270.0000 -210.00156 -204.79911 5.20245 1.97056 -204.70667 422.27052
8275.0000 -207.63299 -203.48718 4.14582 1.99554 -204.23515 437.40971
8280.0000 -208.32750 -203.86439 4.46311 2.00797 -204.00062 444.65411
8285.0000 -208.65416 -203.68127 4.97289 2.02613 -203.65774 455.19448
8290.0000 -208.72501 -203.97519 4.74982 2.02581 -203.66381 457.67238
8295.0000 -208.96569 -204.12504 4.84065 2.00090 -204.13404 431.36121
8300.0000 -208.27890 -204.26073 4.01817 1.99908 -204.16837 446.09135
8305.0000 -208.45105 -204.01816 4.43289 2.00589 -204.03979 449.19620
8310.0000 -208.89233 -203.38528 5.50705 2.03130 -203.56013 472.28892
8315.0000 -209.32135 -204.06504 5.25631 2.02968 -203.59070 472.99041
8320.0000 -209.04620 -203.89008 5.15612 2.00992 -203.96379 458.51918
8325.0000 -209.11560 -204.42473 4.69087 1.99410 -204.26227 453.30983
8330.0000 -208.97524 -204.17426 4.80097 1.97698 -204.58550 426.74053
8335.0000 -209.87290 -205.41779 4.45511 1.96761 -204.76232 430.26719
8340.0000 -208.94933 -204.45695 4.49238 1.95795 -204.94465 414.73008
8345.0000 -209.02647 -204.46913 4.55733 1.98657 -204.40439 434.45246
8350.0000 -209.11313 -205.19817 3.91496 1.95600 -204.98148 411.74877
8355.0000 -209.09876 -205.15161 3.94716 1.93955 -205.29198 404.70104
8360.0000 -209.25595 -205.15596 4.09999 1.95098 -205.07624 417.38839
8365.0000 -209.77118 -205.19498 4.57619 1.96655 -204.78227 428.98567
8370.0000 -208.63502 -203.81232 4.82271 1.98337 -204.46476 445.30287
8375.0000 -207.17383 -202.98052 4.19332 2.04341 -203.33171 481.59558
8380.0000 -208.87763 -204.03203 4.84560 2.02075 -203.75931 463.08633
8385.0000 -209.80112 -204.45562 5.34551 1.99488 -204.24760 443.71485
8390.0000 -208.94884 -204.37437 4.57447 1.98227 -204.48566 439.10608
8395.0000 -209.56871 -204.93989 4.62881 1.96633 -204.78652 432.33850
8400.0000 -209.67332 -205.16068 4.51264 1.97166 -204.68592 438.16655
8405.0000 -209.00631 -204.48150 4.52481 1.95488 -205.00262 426.19226
8410.0000 -209.18196 -204.21228 4.96968 1.97121 -204.69438 437.57428
8415.0000 -209.76769 -204.48234 5.28535 1.98542 -204.42611 452.42241
8420.0000 -209.76528 -203.95215 5.81313 1.98708 -204.39475 453.83742
8425.0000 -208.93716 -204.80362 4.13354 1.99871 -204.17536 448.41981
8430.0000 -208.78038 -204.08806 4.69232 1.98268 -204.47791 440.25511
8435.0000 -208.31541 -203.48841 4.82700 2.01079 -203.94734 459.02607
8440.0000 -208.48797 -204.42961 4.05836 2.00830 -203.99437 459.17360
8445.0000 -209.08855 -204.53880 4.54974 1.97123 -204.69406 438.27138
8450.0000 -209.23423 -204.65236 4.58187 1.96427 -204.82531 436.58782
8455.0000 -209.33275 -204.10487 5.22788 1.96750 -204.76431 440.35490
8460.0000 -208.59635 -203.26229 5.33406 2.04171 -203.36372 490.60765
8465.0000 -207.79137 -203.37012 4.42125 2.06832 -202.86141 475.23370
8470.0000 -208.00459 -202.88441 5.12018 2.04381 -203.32415 475.91035
8475.0000 -208.47247 -203.54325 4.92922 2.05450 -203.12239 495.72483
8480.0000 -208.75312 -203.28108 5.47204 2.00942 -203.97317 473.47613
8485.0000 -208.67681 -203.56479 5.11202 2.01593 -203.85037 470.79520
8490.0000 -209.39920 -204.36177 5.03743 1.99579 -204.23040 461.88669
8495.0000 -209.21128 -203.95705 5.25423 1.99572 -204.23173 450.94309
8500.0000 -209.42790 -204.89765 4.53025 1.97917 -204.54403 441.00393
FREEZING PROCESS: loop number 35 T-loop= 420.00000000000000
main_MD> interactions number 35 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.55694 -0.74901 0.61847
force_rgl> df(natom) -0.76487 -0.70267 -0.19601
8505.0000 -209.58427 -205.23462 4.34965 1.94530 -205.18330 415.56851
8510.0000 -210.10070 -205.74909 4.35161 1.91424 -205.76972 398.61034
8515.0000 -209.52421 -205.77612 3.74809 1.93990 -205.28535 411.28267
8520.0000 -210.12528 -206.38403 3.74125 1.89934 -206.05092 380.05509
8525.0000 -209.92068 -206.11714 3.80354 1.89290 -206.17240 385.73751
8530.0000 -209.70528 -205.82764 3.87764 1.91906 -205.67865 404.95912
8535.0000 -209.30725 -205.30607 4.00118 1.91850 -205.68922 396.18768
8540.0000 -210.00337 -205.31911 4.68426 1.92014 -205.65831 404.66986
8545.0000 -208.92559 -204.93420 3.99139 1.92111 -205.63998 400.66581
8550.0000 -209.27630 -204.84843 4.42787 1.96622 -204.78853 435.79382
8555.0000 -210.09528 -204.74186 5.35342 1.96102 -204.88660 431.65012
8560.0000 -209.93763 -205.50896 4.42867 1.93712 -205.33777 414.57151
8565.0000 -210.07083 -205.43093 4.63990 1.92807 -205.50854 412.11818
8570.0000 -209.89150 -205.82690 4.06459 1.91340 -205.78558 400.32825
8575.0000 -210.01015 -205.88737 4.12278 1.90647 -205.91632 392.26709
8580.0000 -209.81140 -205.42298 4.38842 1.92565 -205.55434 403.22254
8585.0000 -210.28124 -204.96961 5.31163 1.93546 -205.36921 411.11362
8590.0000 -210.06171 -205.87040 4.19131 1.90426 -205.95796 406.51692
8595.0000 -210.69127 -206.36809 4.32318 1.92686 -205.53135 428.11297
8600.0000 -209.95440 -205.47932 4.47507 1.89819 -206.07250 402.98664
8605.0000 -210.29752 -205.45683 4.84069 1.93921 -205.29826 436.33677
8610.0000 -209.91647 -205.65298 4.26349 1.91522 -205.75120 413.35186
8615.0000 -209.95536 -205.50327 4.45210 1.91167 -205.81821 409.32129
8620.0000 -209.52904 -205.10471 4.42433 1.94853 -205.12239 435.44666
8625.0000 -209.79766 -205.70241 4.09525 1.91994 -205.66207 418.77158
8630.0000 -210.34456 -205.10004 5.24452 1.93479 -205.38185 424.64792
8635.0000 -210.07147 -206.13363 3.93783 1.92348 -205.59516 415.61423
8640.0000 -209.84955 -205.80537 4.04419 1.89759 -206.08393 391.34643
8645.0000 -210.50160 -206.43876 4.06284 1.89700 -206.09505 394.01536
8650.0000 -210.06074 -206.18795 3.87280 1.89489 -206.13482 389.94440
8655.0000 -210.27693 -206.14362 4.13331 1.90568 -205.93121 405.41816
8660.0000 -209.60882 -204.53459 5.07424 1.92529 -205.56105 421.17732
8665.0000 -209.11446 -203.82957 5.28489 2.00576 -204.04218 463.03803
8670.0000 -210.18007 -205.67315 4.50692 1.96025 -204.90131 428.15149
8675.0000 -209.78037 -205.84407 3.93630 1.92529 -205.56102 416.17172
8680.0000 -209.99439 -205.63066 4.36373 1.91708 -205.71596 404.95289
8685.0000 -210.72420 -206.80305 3.92115 1.87723 -206.46811 377.93895
8690.0000 -210.37299 -205.73356 4.63943 1.88028 -206.41063 375.85272
8695.0000 -210.70014 -206.23185 4.46829 1.90369 -205.96871 397.51265
8700.0000 -210.45169 -206.00445 4.44723 1.90069 -206.02543 392.94161
8705.0000 -209.71808 -205.86745 3.85063 1.91521 -205.75139 404.19781
8710.0000 -209.46335 -205.11909 4.34426 1.93321 -205.41158 419.19355
8715.0000 -208.98852 -204.39401 4.59451 1.96385 -204.83327 440.12179
8720.0000 -210.32742 -205.79204 4.53539 1.94237 -205.23873 426.60042
8725.0000 -210.73245 -206.04119 4.69126 1.88875 -206.25076 377.50400
8730.0000 -209.77686 -205.57497 4.20189 1.91941 -205.67198 401.67482
8735.0000 -210.11896 -205.60564 4.51333 1.91627 -205.73138 404.07780
8740.0000 -210.05000 -206.13010 3.91990 1.90691 -205.90802 391.43397
8745.0000 -210.42472 -206.13577 4.28895 1.90710 -205.90434 404.35811
8750.0000 -210.81454 -206.78972 4.02482 1.90378 -205.96715 399.81013
FREEZING PROCESS: loop number 36 T-loop= 395.00000000000000
main_MD> interactions number 36 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.65999 0.71810 2.15779
force_rgl> df(natom) 0.45522 -0.42316 0.41030
8755.0000 -210.80785 -206.73650 4.07135 1.85735 -206.84344 359.19016
8760.0000 -210.59132 -206.53143 4.05989 1.87025 -206.59999 369.87556
8765.0000 -210.47953 -206.23519 4.24434 1.87830 -206.44796 374.59282
8770.0000 -210.30680 -207.03968 3.26712 1.87959 -206.42369 374.44170
8775.0000 -210.12183 -206.16425 3.95758 1.85793 -206.83251 353.71038
8780.0000 -210.59764 -206.34065 4.25699 1.87147 -206.57695 366.07781
8785.0000 -209.74454 -205.32629 4.41825 1.91882 -205.68311 403.66599
8790.0000 -209.71530 -205.35077 4.36452 1.93926 -205.29745 428.13757
8795.0000 -210.88214 -207.38263 3.49951 1.89876 -206.06175 386.71822
8800.0000 -209.83119 -206.11241 3.71878 1.86394 -206.71910 368.58856
8805.0000 -209.69006 -205.23488 4.45518 1.93504 -205.37696 424.59464
8810.0000 -209.36820 -204.87132 4.49687 1.94817 -205.12929 427.62276
8815.0000 -209.98695 -205.87439 4.11257 1.92516 -205.56344 404.32024
8820.0000 -210.67225 -206.57789 4.09436 1.89960 -206.04604 394.89113
8825.0000 -210.31566 -206.56261 3.75306 1.86710 -206.65932 366.67863
8830.0000 -210.56748 -206.19206 4.37542 1.86875 -206.62833 368.70938
8835.0000 -209.53742 -205.67494 3.86248 1.87999 -206.41618 376.95053
8840.0000 -210.72166 -206.25209 4.46956 1.92106 -205.64095 404.93641
8845.0000 -210.36562 -206.58650 3.77912 1.88992 -206.22869 382.10705
8850.0000 -210.21811 -205.80238 4.41574 1.89702 -206.09473 390.25879
8855.0000 -210.65265 -206.32547 4.32719 1.91004 -205.84896 401.24030
8860.0000 -210.01731 -205.66775 4.34956 1.87136 -206.57900 370.74086
8865.0000 -209.64183 -205.44910 4.19274 1.90932 -205.86260 401.91781
8870.0000 -209.57706 -205.13581 4.44124 1.91965 -205.66749 410.92372
8875.0000 -210.54589 -205.97025 4.57564 1.93026 -205.46718 409.62368
8880.0000 -210.06170 -206.57077 3.49093 1.89093 -206.20952 378.48854
8885.0000 -209.24733 -205.43999 3.80734 1.92120 -205.63821 400.65602
8890.0000 -210.09483 -206.25746 3.83737 1.91055 -205.83937 388.75896
8895.0000 -210.70113 -206.19495 4.50619 1.88577 -206.30701 381.19775
8900.0000 -209.86906 -205.54877 4.32029 1.91564 -205.74314 414.75299
8905.0000 -210.20930 -206.12938 4.07992 1.92008 -205.65948 416.02292
8910.0000 -210.48430 -206.24897 4.23533 1.88722 -206.27957 382.45779
8915.0000 -210.50619 -206.22379 4.28240 1.88124 -206.39252 378.02279
8920.0000 -211.02558 -206.87367 4.15191 1.88091 -206.39879 381.52940
8925.0000 -210.87298 -206.89452 3.97846 1.86898 -206.62388 371.50531
8930.0000 -210.57428 -206.73051 3.84376 1.87684 -206.47554 376.20029
8935.0000 -211.11269 -206.76705 4.34564 1.85970 -206.79904 364.18610
8940.0000 -210.32886 -206.40820 3.92066 1.88963 -206.23408 391.71914
8945.0000 -210.54325 -205.81861 4.72464 1.88105 -206.39611 385.29583
8950.0000 -210.57923 -206.84565 3.73358 1.86233 -206.74940 368.79417
8955.0000 -210.91836 -206.77654 4.14183 1.85821 -206.82713 366.41937
8960.0000 -210.46278 -206.83796 3.62482 1.87666 -206.47890 375.07847
8965.0000 -209.89964 -205.41866 4.48097 1.86468 -206.70510 372.27591
8970.0000 -210.84162 -206.65271 4.18890 1.89804 -206.07535 404.24398
8975.0000 -210.88962 -206.98165 3.90797 1.85275 -206.93029 359.31061
8980.0000 -209.56615 -205.69346 3.87269 1.89040 -206.21952 390.51369
8985.0000 -210.39009 -206.63935 3.75074 1.91106 -205.82966 398.40479
8990.0000 -210.51078 -206.02028 4.49050 1.91718 -205.71419 408.04681
8995.0000 -210.65306 -206.32770 4.32536 1.88458 -206.32950 381.88398
9000.0000 -209.62284 -205.95718 3.66565 1.89523 -206.12845 396.27956
FREEZING PROCESS: loop number 37 T-loop= 370.00000000000000
main_MD> interactions number 37 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10828 0.81977 -3.02088
force_rgl> df(natom) -0.99468 1.53179 -3.09565
9005.0000 -210.12022 -206.13527 3.98495 1.89218 -206.18605 388.77287
9010.0000 -209.94287 -206.25213 3.69074 1.88739 -206.27643 384.89382
9015.0000 -210.58281 -206.49965 4.08316 1.87467 -206.51656 372.98267
9020.0000 -210.45219 -207.18732 3.26487 1.84371 -207.10077 346.16854
9025.0000 -210.44435 -206.73173 3.71262 1.85796 -206.83199 358.64216
9030.0000 -210.75156 -207.15666 3.59489 1.83308 -207.30144 345.23189
9035.0000 -211.07348 -208.05635 3.01713 1.82312 -207.48946 334.02293
9040.0000 -210.34119 -206.18991 4.15128 1.84223 -207.12885 351.67313
9045.0000 -210.61031 -206.62495 3.98536 1.86354 -206.72656 370.83621
9050.0000 -209.97526 -206.34633 3.62893 1.87811 -206.45158 374.59334
9055.0000 -210.28286 -206.64962 3.63325 1.87306 -206.54680 372.93720
9060.0000 -211.17165 -206.73397 4.43768 1.84468 -207.08259 351.81720
9065.0000 -211.05028 -206.69930 4.35098 1.84483 -207.07964 353.89411
9070.0000 -210.07808 -206.62592 3.45217 1.86465 -206.70566 370.45364
9075.0000 -210.71940 -207.75137 2.96803 1.83799 -207.20876 349.26565
9080.0000 -210.55386 -207.01520 3.53866 1.84305 -207.11332 353.13270
9085.0000 -211.00899 -206.43392 4.57507 1.85841 -206.82336 364.25827
9090.0000 -210.43145 -206.09433 4.33712 1.88439 -206.33313 391.56893
9095.0000 -209.93689 -205.96872 3.96817 1.89967 -206.04463 401.35797
9100.0000 -210.03581 -205.75639 4.27942 1.92718 -205.52532 415.45234
9105.0000 -210.26407 -206.04310 4.22097 1.89172 -206.19466 392.00292
9110.0000 -210.89470 -206.95863 3.93608 1.87845 -206.44515 376.56989
9115.0000 -210.70828 -207.00101 3.70727 1.85307 -206.92421 357.45618
9120.0000 -210.05499 -205.83098 4.22401 1.88714 -206.28114 379.78388
9125.0000 -209.84016 -205.85443 3.98573 1.91509 -205.75361 400.87984
9130.0000 -210.45119 -206.50599 3.94520 1.90942 -205.86059 405.08662
9135.0000 -210.57655 -207.31227 3.26428 1.84805 -207.01887 346.84689
9140.0000 -210.84251 -206.73971 4.10280 1.86500 -206.69900 360.30392
9145.0000 -210.53781 -206.93223 3.60558 1.85251 -206.93480 352.24112
9150.0000 -209.97423 -206.53128 3.44295 1.85880 -206.81608 355.67543
9155.0000 -210.50516 -206.88497 3.62019 1.84583 -207.06084 349.28162
9160.0000 -210.83404 -207.35951 3.47453 1.83804 -207.20789 346.83500
9165.0000 -210.49296 -206.93318 3.55978 1.84329 -207.10877 352.38619
9170.0000 -210.33108 -205.76826 4.56283 1.87668 -206.47856 378.87044
9175.0000 -210.02104 -206.36446 3.65658 1.89776 -206.08075 395.62245
9180.0000 -210.48015 -207.07414 3.40601 1.87413 -206.52661 373.28968
9185.0000 -211.16189 -207.93538 3.22652 1.81682 -207.60837 331.79245
9190.0000 -210.97726 -207.19999 3.77727 1.81188 -207.70156 326.21036
9195.0000 -210.68364 -206.57766 4.10598 1.84646 -207.04892 348.40263
9200.0000 -210.68664 -206.96187 3.72477 1.85026 -206.97720 357.51185
9205.0000 -210.80337 -206.95570 3.84767 1.84416 -207.09238 353.95691
9210.0000 -210.36571 -206.76211 3.60360 1.86622 -206.67596 368.71450
9215.0000 -210.54151 -206.00834 4.53316 1.87024 -206.60020 371.63249
9220.0000 -210.03237 -206.44947 3.58290 1.89281 -206.17412 389.29091
9225.0000 -211.16366 -207.01268 4.15098 1.85711 -206.84802 361.97339
9230.0000 -211.05595 -207.01371 4.04224 1.85988 -206.79569 364.70068
9235.0000 -210.77811 -206.55173 4.22638 1.85718 -206.84668 364.54854
9240.0000 -209.79545 -205.80461 3.99084 1.88823 -206.26061 384.98629
9245.0000 -209.78232 -205.67075 4.11157 1.93604 -205.35820 424.77690
9250.0000 -210.92138 -206.39430 4.52709 1.88771 -206.27040 388.91957
FREEZING PROCESS: loop number 38 T-loop= 345.00000000000000
main_MD> interactions number 38 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06714 0.79887 -0.22244
force_rgl> df(natom) -2.56228 0.06453 -1.91052
9255.0000 -210.59261 -207.10025 3.49236 1.87824 -206.44921 378.21722
9260.0000 -210.12326 -206.68566 3.43760 1.87515 -206.50747 370.67637
9265.0000 -211.04941 -207.53570 3.51371 1.85467 -206.89395 358.21031
9270.0000 -211.14083 -207.82778 3.31305 1.81214 -207.69671 325.12437
9275.0000 -210.98145 -207.76058 3.22087 1.83080 -207.34452 338.66961
9280.0000 -210.92379 -207.35244 3.57135 1.84861 -207.00832 350.47336
9285.0000 -210.97166 -207.68289 3.28877 1.82096 -207.53024 329.14801
9290.0000 -210.51249 -207.33665 3.17584 1.82242 -207.50272 331.55961
9295.0000 -210.81629 -206.98251 3.83378 1.84673 -207.04379 351.77106
9300.0000 -211.20593 -207.14141 4.06452 1.84522 -207.07227 346.87737
9305.0000 -210.62831 -207.25741 3.37090 1.83178 -207.32609 336.28779
9310.0000 -210.63873 -206.89871 3.74002 1.82837 -207.39033 331.14051
9315.0000 -210.74559 -207.16513 3.58047 1.87453 -206.51922 372.25353
9320.0000 -211.06872 -206.73326 4.33546 1.85634 -206.86239 351.60901
9325.0000 -210.32976 -206.01548 4.31428 1.89884 -206.06028 381.52748
9330.0000 -210.78228 -207.30072 3.48156 1.87845 -206.44520 365.45054
9335.0000 -210.89481 -207.18416 3.71065 1.82902 -207.37822 324.86077
9340.0000 -210.20734 -206.24303 3.96431 1.87102 -206.58533 357.49223
9345.0000 -211.39184 -207.51791 3.87393 1.84433 -207.08917 339.05128
9350.0000 -211.23262 -207.67310 3.55953 1.81559 -207.63163 338.00607
9355.0000 -211.33046 -208.05247 3.27799 1.80650 -207.80326 327.86567
9360.0000 -211.38683 -207.40120 3.98563 1.83035 -207.35310 352.54360
9365.0000 -210.97846 -207.39660 3.58186 1.80829 -207.76937 326.96836
9370.0000 -210.32836 -206.52838 3.79998 1.86655 -206.66979 375.63945
9375.0000 -210.74892 -207.13925 3.60966 1.86212 -206.75329 373.93242
9380.0000 -211.08979 -207.52059 3.56919 1.82500 -207.45400 344.79718
9385.0000 -211.22346 -207.75044 3.47301 1.81666 -207.61137 337.06817
9390.0000 -211.30674 -207.44751 3.85923 1.81554 -207.63265 336.74323
9395.0000 -210.64195 -207.01774 3.62420 1.82348 -207.48267 348.23359
9400.0000 -210.85489 -206.95780 3.89710 1.85163 -206.95133 362.62286
9405.0000 -211.05950 -207.15757 3.90193 1.83996 -207.17161 358.94741
9410.0000 -211.68399 -208.27948 3.40451 1.80561 -207.81989 329.57011
9415.0000 -211.19159 -207.79793 3.39367 1.77445 -208.40805 302.57906
9420.0000 -211.29269 -207.41593 3.87676 1.80202 -207.88770 327.48609
9425.0000 -211.31549 -207.31755 3.99793 1.80913 -207.75347 328.99958
9430.0000 -211.39514 -207.37363 4.02152 1.84721 -207.03487 358.54792
9435.0000 -211.21416 -207.85532 3.35885 1.82712 -207.41407 347.41917
9440.0000 -211.85199 -207.64355 4.20844 1.81810 -207.58424 337.42260
9445.0000 -211.18145 -207.46028 3.72117 1.81304 -207.67978 333.77402
9450.0000 -211.39062 -207.68481 3.70582 1.82762 -207.40446 349.17732
9455.0000 -210.63619 -206.73510 3.90109 1.83601 -207.24615 351.53178
9460.0000 -211.22189 -206.81011 4.41178 1.86196 -206.75648 374.21553
9465.0000 -210.99971 -207.02915 3.97056 1.85329 -206.92013 368.31789
9470.0000 -210.97149 -207.80873 3.16276 1.83243 -207.31384 350.95102
9475.0000 -211.38776 -207.78579 3.60197 1.79882 -207.94818 324.15663
9480.0000 -211.37362 -208.10310 3.27052 1.79676 -207.98696 323.15638
9485.0000 -211.05683 -207.39227 3.66456 1.80836 -207.76808 330.88595
9490.0000 -211.09909 -207.29192 3.80717 1.83142 -207.33290 349.98804
9495.0000 -210.98175 -207.24422 3.73753 1.84453 -207.08530 359.96192
9500.0000 -211.78295 -208.19247 3.59048 1.81196 -207.70010 335.49136
FREEZING PROCESS: loop number 39 T-loop= 320.00000000000000
main_MD> interactions number 39 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09585 1.01359 -0.98222
force_rgl> df(natom) 0.82006 -1.83821 0.31142
9505.0000 -210.91821 -207.40813 3.51008 1.79280 -208.06185 316.33437
9510.0000 -211.64889 -207.90937 3.73951 1.79867 -207.95089 324.29303
9515.0000 -210.94407 -207.68843 3.25564 1.79496 -208.02098 317.87715
9520.0000 -211.79716 -207.64083 4.15633 1.81040 -207.72961 333.18264
9525.0000 -211.71283 -208.10208 3.61075 1.79781 -207.96720 323.46495
9530.0000 -211.49449 -207.71567 3.77882 1.79085 -208.09862 314.96726
9535.0000 -211.67883 -208.25381 3.42503 1.80925 -207.75120 331.24827
9540.0000 -211.30227 -208.27489 3.02738 1.77388 -208.41886 303.53403
9545.0000 -211.81555 -208.41698 3.39857 1.76138 -208.65487 292.90303
9550.0000 -211.40134 -208.07510 3.32624 1.79367 -208.04526 320.08697
9555.0000 -211.35554 -207.77433 3.58121 1.79724 -207.97800 323.99118
9560.0000 -211.51841 -207.68637 3.83204 1.79298 -208.05834 318.00722
9565.0000 -211.58039 -207.74491 3.83548 1.79207 -208.07545 316.80833
9570.0000 -211.12079 -206.89122 4.22958 1.82972 -207.36486 347.88245
9575.0000 -210.88951 -207.31866 3.57085 1.83022 -207.35546 349.18150
9580.0000 -210.95982 -206.62172 4.33810 1.84453 -207.08530 362.15980
9585.0000 -211.09690 -207.27390 3.82300 1.85423 -206.90238 368.78405
9590.0000 -210.95640 -207.62627 3.33014 1.82109 -207.52782 342.37276
9595.0000 -211.34327 -207.28693 4.05634 1.82019 -207.54484 343.64530
9600.0000 -211.26152 -208.14956 3.11195 1.80498 -207.83183 328.86607
9605.0000 -211.43693 -208.63690 2.80003 1.75591 -208.75804 286.78477
9610.0000 -211.07673 -207.34584 3.73089 1.79103 -208.09518 319.30020
9615.0000 -211.76782 -207.84933 3.91849 1.81943 -207.55911 341.72837
9620.0000 -211.52963 -207.82670 3.70294 1.80557 -207.82078 330.62083
9625.0000 -211.19384 -207.61000 3.58384 1.80426 -207.84550 329.19895
9630.0000 -211.57675 -208.07348 3.50327 1.79024 -208.11013 319.33340
9635.0000 -210.99270 -206.85383 4.13887 1.82233 -207.50439 342.62828
9640.0000 -211.21970 -207.92464 3.29506 1.82444 -207.46457 341.23923
9645.0000 -211.61776 -208.32772 3.29004 1.78372 -208.23320 312.00661
9650.0000 -211.80096 -208.47117 3.32979 1.77626 -208.37396 305.80774
9655.0000 -211.66592 -208.25454 3.41138 1.77504 -208.39690 301.44428
9660.0000 -211.69744 -208.41202 3.28542 1.77322 -208.43125 303.25823
9665.0000 -211.21831 -207.70233 3.51598 1.78414 -208.22526 309.68916
9670.0000 -211.42606 -207.72342 3.70264 1.81933 -207.56100 337.02341
9675.0000 -211.07475 -207.91271 3.16204 1.80818 -207.77152 331.53682
9680.0000 -211.87025 -208.69653 3.17372 1.78761 -208.15971 313.81538
9685.0000 -211.87871 -208.83996 3.03875 1.77938 -208.31515 304.67015
9690.0000 -211.52542 -208.04345 3.48197 1.75254 -208.82157 285.42283
9695.0000 -211.71530 -208.08644 3.62886 1.79674 -207.98735 319.53180
9700.0000 -211.12954 -208.06418 3.06537 1.78195 -208.26653 311.22863
9705.0000 -211.65945 -208.03542 3.62403 1.78690 -208.17304 313.97292
9710.0000 -211.39288 -208.12325 3.26963 1.80269 -207.87518 329.93822
9715.0000 -211.32183 -207.41893 3.90290 1.80324 -207.86475 327.22526
9720.0000 -211.13291 -207.66325 3.46966 1.82077 -207.53388 342.07893
9725.0000 -211.70876 -208.77882 2.92994 1.77358 -208.42456 303.25228
9730.0000 -211.46267 -207.82510 3.63757 1.78082 -208.28789 308.68877
9735.0000 -211.53531 -207.88105 3.65426 1.80480 -207.83522 324.19498
9740.0000 -211.29492 -207.49142 3.80350 1.80894 -207.75704 334.54120
9745.0000 -210.96286 -207.47764 3.48522 1.81899 -207.56747 339.08275
9750.0000 -211.65989 -208.10472 3.55517 1.80292 -207.87080 326.22014
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 42.5375724 [s].
main_MD> Deallocating global variables
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