tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_80/freeze.log

2089 lines
206 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_80.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 = 80 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 80 8000
main_MD> Size of nv and nvoiz: 80 8000
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 = 80
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> 9.1121176772209364E-002 -4.2529655443688343E-002 -0.12667964977984952 initial drift of cluster / NP1 for coalescence
init> 0.34668746501861680 0.35536269882371230 0.31825658734713030 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7623725459577460E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37944 2.04939 3.33708
force_rgl> df(natom) -1.68291 -3.01409 -5.76372
preparo> THERMALIZATION PROCESS AT 1227.7733433317294
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -175.81023877065317 14.030185881796443 -189.84042465244963 6.8312759053817864E-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 37
FREEZING PROCESS: loop number 1 T-loop= 1203.0000000000000
main_MD> interactions number 1 at Temperature= 1203.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.68973 -1.99244 -0.04241
force_rgl> df(natom) -0.26490 -2.21700 -0.58977
5.0000 -188.93081 -177.84987 11.08094 3.16945 -177.15495 1149.30994
10.0000 -188.43452 -177.24162 11.19290 3.14300 -177.64594 1137.67234
15.0000 -188.64899 -175.40764 13.24136 3.18603 -176.84707 1152.93835
20.0000 -187.85858 -175.90568 11.95290 3.25678 -175.53349 1228.56644
25.0000 -187.29200 -174.05107 13.24093 3.24869 -175.68375 1225.96430
30.0000 -187.50563 -173.57615 13.92948 3.37333 -173.36952 1303.45818
35.0000 -188.02295 -175.13594 12.88701 3.35389 -173.73057 1303.96794
40.0000 -189.12616 -175.18461 13.94155 3.33651 -174.05325 1282.42331
45.0000 -188.96056 -177.76937 11.19119 3.23078 -176.01620 1201.56627
50.0000 -188.61467 -175.20419 13.41048 3.21127 -176.37849 1221.23017
55.0000 -188.46679 -175.21366 13.25313 3.23457 -175.94592 1236.26138
60.0000 -187.28096 -174.04365 13.23731 3.31155 -174.51661 1280.04845
65.0000 -189.55714 -174.45934 15.09779 3.31461 -174.45978 1272.59924
70.0000 -188.40463 -177.46678 10.93785 3.16822 -177.17777 1178.40530
75.0000 -190.78724 -178.92571 11.86153 3.11230 -178.21598 1123.55742
80.0000 -192.53154 -180.41465 12.11688 3.00022 -180.29684 1063.00185
85.0000 -190.46246 -176.29138 14.17108 3.08573 -178.70932 1131.86183
90.0000 -190.30513 -176.66435 13.64078 3.17029 -177.13922 1180.11084
95.0000 -189.22065 -175.81363 13.40703 3.16487 -177.23983 1163.95042
100.0000 -186.94589 -176.60685 10.33904 3.25267 -175.60985 1224.90421
105.0000 -188.25376 -174.35332 13.90044 3.27849 -175.13040 1258.36893
110.0000 -187.23609 -176.40753 10.82856 3.29607 -174.80401 1247.02704
115.0000 -188.05934 -174.80853 13.25081 3.27312 -175.23018 1244.39789
120.0000 -188.35121 -176.69687 11.65434 3.27216 -175.24798 1247.94985
125.0000 -188.84632 -175.76683 13.07949 3.24485 -175.75498 1225.32056
130.0000 -189.71467 -178.20863 11.50604 3.27880 -175.12472 1240.47952
135.0000 -188.53623 -176.85991 11.67633 3.19747 -176.63461 1189.81676
140.0000 -190.96681 -177.09018 13.87663 3.17423 -177.06620 1183.36147
145.0000 -185.94266 -175.49934 10.44332 3.27893 -175.12223 1249.14824
150.0000 -190.30553 -177.46117 12.84435 3.24089 -175.82843 1232.09147
155.0000 -189.27911 -175.50222 13.77689 3.15481 -177.42671 1160.55108
160.0000 -188.28788 -175.98830 12.29958 3.18395 -176.88573 1194.68042
165.0000 -187.76377 -174.65733 13.10645 3.27158 -175.25864 1232.69876
170.0000 -187.62412 -175.17553 12.44859 3.21937 -176.22796 1195.03884
175.0000 -187.99242 -175.90898 12.08344 3.20269 -176.53765 1197.21978
180.0000 -186.08309 -175.50079 10.58230 3.16924 -177.15877 1184.72435
185.0000 -188.74481 -175.29843 13.44638 3.33245 -174.12846 1304.45731
190.0000 -190.14462 -175.89900 14.24562 3.25034 -175.65297 1224.58628
195.0000 -188.53959 -176.20547 12.33413 3.22908 -176.04773 1232.89618
200.0000 -190.46465 -178.15794 12.30671 3.14047 -177.69286 1181.85643
205.0000 -189.53862 -177.50238 12.03624 3.14161 -177.67182 1167.74148
210.0000 -188.73818 -177.56260 11.17558 3.14245 -177.65617 1157.80527
215.0000 -190.29730 -176.18506 14.11224 3.15714 -177.38338 1167.45386
220.0000 -188.62437 -174.93451 13.68985 3.23845 -175.87379 1214.17486
225.0000 -187.85731 -174.55434 13.30298 3.22217 -176.17606 1224.15479
230.0000 -188.42252 -174.87663 13.54589 3.27269 -175.23809 1210.15134
235.0000 -189.97457 -176.70284 13.27173 3.20695 -176.45869 1214.94223
240.0000 -189.40449 -174.99589 14.40861 3.28346 -175.03803 1260.56095
245.0000 -185.85571 -173.50390 12.35181 3.37739 -173.29418 1329.67331
250.0000 -186.40120 -173.36875 13.03245 3.35779 -173.65801 1261.64994
FREEZING PROCESS: loop number 2 T-loop= 1178.0000000000000
main_MD> interactions number 2 at Temperature= 1178.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74496 2.32871 -5.11281
force_rgl> df(natom) -5.06769 -0.44082 -8.67103
255.0000 -187.59873 -173.87873 13.72001 3.35070 -173.78965 1296.14963
260.0000 -188.36873 -175.91900 12.44973 3.27895 -175.12188 1248.62731
265.0000 -189.28271 -176.85292 12.42979 3.21715 -176.26927 1219.90638
270.0000 -187.25172 -173.59209 13.65963 3.27240 -175.24342 1272.37147
275.0000 -190.30264 -178.41919 11.88345 3.29083 -174.90134 1280.58754
280.0000 -188.79954 -176.96756 11.83198 3.10584 -178.33584 1129.32177
285.0000 -188.59614 -177.00275 11.59339 3.15388 -177.44389 1186.36577
290.0000 -192.41090 -179.31855 13.09235 3.12336 -178.01058 1163.99843
295.0000 -188.68092 -175.94126 12.73966 3.13040 -177.87981 1132.75655
300.0000 -190.63475 -179.20772 11.42703 3.13903 -177.71972 1145.13150
305.0000 -191.05122 -176.72580 14.32542 3.11193 -178.22274 1193.74763
310.0000 -190.35996 -177.92563 12.43433 3.14843 -177.54511 1139.31107
315.0000 -189.83035 -177.36985 12.46050 3.09014 -178.62734 1113.56945
320.0000 -191.31444 -178.57815 12.73628 3.15448 -177.43281 1155.41285
325.0000 -191.11680 -178.59415 12.52265 3.09253 -178.58305 1093.27517
330.0000 -189.17789 -175.54403 13.63387 3.13676 -177.76177 1143.35161
335.0000 -188.84622 -179.09350 9.75272 3.15599 -177.40477 1177.57058
340.0000 -189.89171 -178.56265 11.32906 3.11150 -178.23075 1130.71618
345.0000 -190.57216 -177.55911 13.01305 3.08879 -178.65244 1138.57416
350.0000 -192.05599 -178.68608 13.36991 3.06290 -179.13306 1124.64920
355.0000 -189.93867 -178.62681 11.31186 3.09687 -178.50250 1147.10454
360.0000 -187.85044 -174.36080 13.48964 3.19151 -176.74521 1181.96236
365.0000 -189.92506 -177.61912 12.30594 3.23715 -175.89801 1209.21616
370.0000 -188.18614 -176.07913 12.10702 3.16782 -177.18507 1145.17569
375.0000 -187.64127 -173.99452 13.64674 3.28444 -175.01998 1230.76686
380.0000 -187.14070 -174.40852 12.73218 3.31720 -174.41163 1238.90255
385.0000 -190.45357 -178.31532 12.13825 3.17491 -177.05358 1174.96673
390.0000 -190.50129 -178.16709 12.33420 3.14966 -177.52221 1169.43742
395.0000 -191.95605 -178.73232 13.22373 3.11045 -178.25020 1115.96654
400.0000 -189.43204 -177.91199 11.52004 3.08486 -178.72542 1111.33002
405.0000 -190.08611 -176.11198 13.97413 3.21163 -176.37168 1200.63133
410.0000 -186.71031 -172.89581 13.81450 3.27346 -175.22369 1234.57784
415.0000 -188.32967 -176.10594 12.22372 3.34095 -173.97067 1242.18257
420.0000 -189.23747 -178.85612 10.38134 3.16035 -177.32386 1192.29074
425.0000 -189.97507 -177.19802 12.77704 3.13765 -177.74535 1162.13686
430.0000 -191.34053 -180.17796 11.16257 3.09347 -178.56556 1098.95676
435.0000 -190.48060 -177.51529 12.96531 2.97924 -180.68639 1058.39864
440.0000 -189.64736 -176.16144 13.48591 3.24912 -175.67568 1213.11581
445.0000 -190.63213 -177.83921 12.79293 3.21807 -176.25209 1190.31323
450.0000 -190.33010 -178.29022 12.03988 3.11343 -178.19493 1148.57235
455.0000 -191.23173 -179.45991 11.77182 3.09757 -178.48949 1145.42031
460.0000 -189.03661 -175.17223 13.86438 3.16273 -177.27955 1176.84674
465.0000 -187.73473 -176.91782 10.81691 3.26862 -175.31360 1213.45368
470.0000 -188.25031 -173.13898 15.11132 3.30192 -174.69533 1272.29451
475.0000 -191.82765 -178.57584 13.25182 3.17781 -176.99973 1196.59534
480.0000 -188.09287 -176.21502 11.87784 3.13452 -177.80344 1174.06236
485.0000 -191.20222 -176.81408 14.38814 3.20049 -176.57854 1234.68048
490.0000 -190.15775 -177.17978 12.97797 3.12731 -177.93719 1154.45852
495.0000 -190.00302 -177.03295 12.97006 3.16804 -177.18095 1162.56042
500.0000 -187.75519 -176.15517 11.60002 3.24207 -175.80660 1198.79881
FREEZING PROCESS: loop number 3 T-loop= 1153.0000000000000
main_MD> interactions number 3 at Temperature= 1153.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88466 0.53030 -0.12502
force_rgl> df(natom) 1.20052 -4.21796 -5.45929
505.0000 -190.45860 -177.35695 13.10165 3.19395 -176.70005 1218.70715
510.0000 -189.41377 -176.06477 13.34900 3.13232 -177.84427 1148.17339
515.0000 -188.09218 -174.91780 13.17438 3.27826 -175.13460 1235.78417
520.0000 -189.10965 -176.63422 12.47543 3.21315 -176.34356 1216.72986
525.0000 -192.49862 -179.09495 13.40367 3.12648 -177.95268 1178.72556
530.0000 -187.82483 -176.73000 11.09483 3.13339 -177.82440 1169.89120
535.0000 -190.66284 -177.28793 13.37491 3.24772 -175.70173 1217.26070
540.0000 -191.18856 -180.47454 10.71401 3.07146 -178.97423 1110.63970
545.0000 -191.57619 -181.07089 10.50530 2.97164 -180.82748 1049.49678
550.0000 -192.87318 -183.69312 9.18005 2.88198 -182.49210 995.69911
555.0000 -191.21210 -179.40258 11.80952 2.90992 -181.97344 988.05586
560.0000 -189.37421 -177.35445 12.01976 3.11104 -178.23936 1152.63396
565.0000 -189.05801 -176.36368 12.69433 3.15035 -177.50945 1137.95100
570.0000 -189.73291 -178.50139 11.23151 3.15555 -177.41284 1146.07214
575.0000 -188.19261 -174.81598 13.37662 3.19390 -176.70098 1178.76241
580.0000 -187.67047 -174.76803 12.90244 3.33419 -174.09616 1274.52485
585.0000 -188.50057 -175.80657 12.69400 3.30476 -174.64262 1272.94609
590.0000 -190.18415 -179.71292 10.47123 3.11381 -178.18796 1121.28894
595.0000 -190.98346 -180.39984 10.58362 3.06149 -179.15938 1097.55170
600.0000 -191.79653 -181.11518 10.68134 3.02310 -179.87208 1055.60826
605.0000 -191.46319 -178.83722 12.62597 3.07017 -178.99818 1125.80284
610.0000 -191.55596 -179.82885 11.72711 3.05285 -179.31976 1108.84216
615.0000 -188.34583 -178.08869 10.25714 3.11338 -178.19592 1118.67429
620.0000 -188.72225 -174.69126 14.03099 3.18358 -176.89258 1184.28788
625.0000 -188.71689 -175.18529 13.53160 3.29069 -174.90396 1247.88514
630.0000 -192.01305 -177.23043 14.78262 3.14355 -177.63565 1162.35361
635.0000 -187.70209 -174.53276 13.16933 3.22209 -176.17745 1251.41082
640.0000 -189.88645 -177.17887 12.70758 3.15343 -177.45221 1157.87105
645.0000 -189.38768 -176.87446 12.51322 3.17704 -177.01387 1202.33349
650.0000 -190.20918 -177.43059 12.77859 3.19091 -176.75652 1201.05229
655.0000 -187.51328 -174.62537 12.88791 3.23888 -175.86576 1207.25769
660.0000 -190.23279 -178.23312 11.99967 3.09888 -178.46502 1125.48173
665.0000 -189.42571 -178.88880 10.53691 3.12277 -178.02152 1147.67696
670.0000 -187.76403 -177.64552 10.11850 3.08453 -178.73155 1116.19175
675.0000 -188.77578 -177.21238 11.56339 3.09486 -178.53971 1125.85571
680.0000 -189.60698 -177.60306 12.00392 3.13899 -177.72031 1158.02998
685.0000 -192.16993 -181.04122 11.12871 3.02487 -179.83914 1089.60252
690.0000 -191.38277 -180.23353 11.14924 3.04698 -179.42868 1094.99378
695.0000 -191.13779 -180.32609 10.81170 3.05729 -179.23724 1111.87510
700.0000 -189.34897 -175.62007 13.72889 3.16077 -177.31597 1137.02783
705.0000 -190.06502 -179.59499 10.47003 3.16332 -177.26863 1184.92020
710.0000 -189.81604 -176.83204 12.98400 3.07505 -178.90749 1106.39554
715.0000 -190.60498 -178.16031 12.44468 3.18460 -176.87357 1170.15955
720.0000 -190.27704 -177.18238 13.09467 3.14663 -177.57856 1161.25016
725.0000 -189.50071 -176.93837 12.56234 3.20633 -176.47006 1202.87461
730.0000 -190.27307 -178.64614 11.62693 3.14995 -177.51683 1140.02553
735.0000 -190.21730 -176.84508 13.37222 3.17303 -177.08831 1173.76259
740.0000 -191.81107 -180.06325 11.74782 3.12038 -178.06595 1147.79147
745.0000 -187.52948 -177.24385 10.28563 3.05284 -179.31994 1113.68797
750.0000 -188.62281 -178.39476 10.22806 3.13470 -177.79998 1127.42565
FREEZING PROCESS: loop number 4 T-loop= 1128.0000000000000
main_MD> interactions number 4 at Temperature= 1128.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.14486 1.18873 -4.23106
force_rgl> df(natom) 6.60369 4.94832 2.14428
755.0000 -191.16251 -181.10861 10.05390 3.02881 -179.76598 1080.81294
760.0000 -191.53825 -179.33907 12.19919 3.03457 -179.65904 1089.18876
765.0000 -189.54493 -178.28671 11.25822 3.09292 -178.57567 1114.12147
770.0000 -188.66051 -175.22946 13.43105 3.22235 -176.17264 1216.93617
775.0000 -190.82076 -176.65781 14.16295 3.20773 -176.44413 1178.49213
780.0000 -191.74711 -178.03439 13.71271 3.19350 -176.70841 1176.10565
785.0000 -188.96997 -179.28608 9.68390 3.07478 -178.91253 1118.85359
790.0000 -192.69629 -180.37558 12.32071 2.98383 -180.60112 1058.74912
795.0000 -190.72883 -179.16239 11.56644 3.05552 -179.27012 1096.07283
800.0000 -193.75322 -178.43094 15.32227 3.09260 -178.58164 1123.31028
805.0000 -190.56214 -179.25761 11.30453 3.10137 -178.41893 1157.72264
810.0000 -189.13637 -176.43021 12.70616 3.18373 -176.88975 1217.65156
815.0000 -188.94808 -176.40521 12.54287 3.15610 -177.40281 1171.38826
820.0000 -190.47333 -177.59360 12.87972 3.19410 -176.69719 1208.67219
825.0000 -191.73762 -180.97503 10.76259 3.02283 -179.87698 1065.73407
830.0000 -189.37079 -177.97246 11.39833 3.05590 -179.26310 1109.40930
835.0000 -189.67964 -176.52817 13.15148 3.16359 -177.26357 1165.02386
840.0000 -192.62429 -179.38324 13.24105 3.08390 -178.74321 1133.72507
845.0000 -190.28846 -180.35857 9.92989 3.00619 -180.18598 1094.47751
850.0000 -189.40466 -177.81773 11.58694 3.07832 -178.84676 1104.70152
855.0000 -190.65712 -178.84027 11.81686 3.06512 -179.09189 1107.16936
860.0000 -191.64424 -179.88967 11.75457 3.03326 -179.68344 1046.59933
865.0000 -189.75557 -177.47331 12.28226 3.10970 -178.26426 1123.90965
870.0000 -188.93196 -178.37829 10.55368 3.15933 -177.34274 1160.77400
875.0000 -191.28979 -178.74978 12.54001 3.11419 -178.18077 1112.14542
880.0000 -190.95338 -181.50240 9.45099 2.98991 -180.48833 1029.13811
885.0000 -194.17586 -182.96543 11.21042 2.91919 -181.80134 1020.42309
890.0000 -194.62960 -183.36733 11.26227 2.82192 -183.60715 945.28943
895.0000 -191.60672 -180.85907 10.74765 2.93896 -181.43425 1037.92035
900.0000 -188.68049 -179.72458 8.95591 2.99446 -180.40378 1062.11500
905.0000 -191.69447 -177.61221 14.08226 3.08219 -178.77490 1126.43008
910.0000 -190.30177 -179.15252 11.14925 3.05486 -179.28244 1117.75325
915.0000 -191.38182 -180.93831 10.44351 2.99538 -180.38666 1049.16557
920.0000 -191.89036 -180.96292 10.92744 3.01759 -179.97427 1083.90258
925.0000 -189.84010 -178.89070 10.94940 2.99088 -180.47020 1046.65158
930.0000 -190.59323 -178.97901 11.61422 3.11693 -178.12990 1134.46283
935.0000 -187.91618 -177.47725 10.43893 3.12616 -177.95853 1148.70789
940.0000 -187.01520 -175.19418 11.82102 3.19500 -176.68056 1159.48952
945.0000 -188.60153 -177.05769 11.54384 3.16445 -177.24761 1163.02948
950.0000 -190.00920 -179.60995 10.39925 3.09867 -178.46896 1132.37846
955.0000 -187.90776 -175.58265 12.32510 3.10307 -178.38729 1113.55388
960.0000 -189.39305 -178.53445 10.85860 3.16651 -177.20946 1151.78801
965.0000 -189.68544 -178.13266 11.55278 3.10238 -178.40010 1132.12851
970.0000 -188.63734 -176.10858 12.52876 3.12816 -177.92147 1143.36692
975.0000 -188.53609 -174.81132 13.72478 3.26918 -175.30327 1246.39277
980.0000 -190.12492 -177.63793 12.48699 3.22292 -176.16210 1167.22404
985.0000 -190.06017 -177.22966 12.83051 3.12457 -177.98806 1129.64305
990.0000 -188.33670 -175.32573 13.01097 3.20126 -176.56429 1205.24216
995.0000 -190.87244 -177.16865 13.70379 3.26361 -175.40662 1208.07874
1000.0000 -190.04782 -178.22418 11.82363 3.05920 -179.20179 1065.95802
FREEZING PROCESS: loop number 5 T-loop= 1103.0000000000000
main_MD> interactions number 5 at Temperature= 1103.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55396 -1.61471 3.82392
force_rgl> df(natom) -0.46275 -2.28531 -0.08603
1005.0000 -189.74014 -177.92148 11.81865 3.09314 -178.57163 1119.76493
1010.0000 -191.42797 -177.14850 14.27947 3.10088 -178.42803 1122.60292
1015.0000 -190.18944 -180.22332 9.96612 3.08773 -178.67203 1145.04248
1020.0000 -194.13711 -182.89893 11.23818 2.86686 -182.77290 975.07046
1025.0000 -190.25486 -181.66367 8.59119 2.87863 -182.55442 979.45930
1030.0000 -190.75244 -180.09775 10.65469 2.97780 -180.71315 1060.32068
1035.0000 -190.59939 -178.42888 12.17051 3.08816 -178.66419 1120.74518
1040.0000 -191.61527 -179.92560 11.68967 3.03101 -179.72511 1125.07361
1045.0000 -190.37146 -179.49285 10.87860 2.98052 -180.66259 1030.61431
1050.0000 -190.54373 -179.60984 10.93389 2.96707 -180.91242 1051.28763
1055.0000 -191.17101 -180.51904 10.65198 3.01040 -180.10776 1077.71969
1060.0000 -191.65548 -180.11668 11.53880 2.96567 -180.93837 1046.40028
1065.0000 -189.83848 -180.40846 9.43002 3.02385 -179.85805 1093.81261
1070.0000 -192.19973 -180.15692 12.04280 2.98916 -180.50214 1066.44825
1075.0000 -189.31215 -177.73968 11.57247 3.14297 -177.64650 1153.64845
1080.0000 -188.20607 -176.60335 11.60272 3.21503 -176.30867 1175.91694
1085.0000 -192.04877 -179.37177 12.67701 3.10775 -178.30049 1154.19881
1090.0000 -189.84765 -178.49342 11.35422 3.14088 -177.68527 1154.02797
1095.0000 -191.00143 -179.39351 11.60793 3.11553 -178.15597 1144.45145
1100.0000 -188.74580 -176.51343 12.23237 3.08723 -178.68141 1118.26741
1105.0000 -191.00666 -178.15531 12.85135 3.12136 -178.04768 1140.73542
1110.0000 -190.44413 -177.32130 13.12283 3.15309 -177.45860 1197.79550
1115.0000 -190.88947 -179.13580 11.75367 3.11955 -178.08124 1159.21638
1120.0000 -189.00858 -178.40931 10.59927 3.05791 -179.22580 1077.56075
1125.0000 -190.75889 -178.52081 12.23809 3.11275 -178.20763 1133.86692
1130.0000 -190.25637 -180.70822 9.54816 3.03964 -179.56488 1103.24204
1135.0000 -189.82637 -179.32108 10.50528 3.09040 -178.62251 1160.05241
1140.0000 -192.47751 -181.34972 11.12779 3.01130 -180.09109 1069.08582
1145.0000 -192.51792 -182.61627 9.90165 2.95131 -181.20496 1037.31396
1150.0000 -189.30883 -180.71298 8.59585 2.92976 -181.60505 1039.92445
1155.0000 -192.12950 -179.81223 12.31727 3.01219 -180.07462 1084.14766
1160.0000 -191.23188 -181.23308 9.99880 2.99633 -180.36913 1074.66802
1165.0000 -192.60501 -179.38324 13.22177 2.96061 -181.03233 1074.26544
1170.0000 -191.33483 -179.34151 11.99332 3.03387 -179.67209 1087.81804
1175.0000 -191.40760 -179.28806 12.11954 3.02877 -179.76681 1074.34180
1180.0000 -193.28952 -179.93597 13.35355 3.05587 -179.26370 1097.02697
1185.0000 -189.13696 -177.71350 11.42346 3.08832 -178.66116 1139.60181
1190.0000 -189.93475 -178.99219 10.94256 3.13779 -177.74275 1189.64502
1195.0000 -189.68311 -178.02147 11.66164 3.19004 -176.77257 1176.68891
1200.0000 -188.10465 -176.62518 11.47948 3.09322 -178.57024 1119.87501
1205.0000 -189.63029 -177.90579 11.72450 3.15808 -177.36604 1184.54851
1210.0000 -190.49445 -178.87881 11.61564 3.09260 -178.58177 1116.62508
1215.0000 -189.90445 -178.33756 11.56689 3.05817 -179.22094 1098.96954
1220.0000 -189.01663 -177.58649 11.43014 3.12062 -178.06152 1165.62995
1225.0000 -190.60385 -178.56078 12.04307 3.13708 -177.75590 1152.33172
1230.0000 -189.77560 -177.88703 11.88857 3.16554 -177.22752 1164.64793
1235.0000 -191.50947 -179.60082 11.90865 3.11996 -178.07362 1125.85012
1240.0000 -194.30557 -184.06351 10.24206 2.90966 -181.97823 1034.72952
1245.0000 -191.34364 -182.33349 9.01015 2.91998 -181.78661 1012.75963
1250.0000 -192.24536 -181.41254 10.83282 2.91455 -181.88747 1004.48674
FREEZING PROCESS: loop number 6 T-loop= 1078.0000000000000
main_MD> interactions number 6 at Temperature= 1078.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26133 -1.25015 2.00866
force_rgl> df(natom) -3.01666 2.99577 2.13461
1255.0000 -191.16403 -180.61140 10.55264 2.98787 -180.52621 1063.29890
1260.0000 -192.50097 -182.19036 10.31062 2.92968 -181.60644 1060.20233
1265.0000 -190.33261 -177.94513 12.38748 3.01966 -179.93587 1100.85264
1270.0000 -190.55629 -179.14604 11.41025 3.07871 -178.83956 1127.12329
1275.0000 -192.21189 -180.63013 11.58176 2.99679 -180.36048 1059.31501
1280.0000 -191.64752 -180.78299 10.86453 2.93154 -181.57200 1017.60249
1285.0000 -191.90522 -182.50452 9.40069 2.89314 -182.28490 991.12319
1290.0000 -190.65934 -179.85317 10.80617 3.03174 -179.71170 1065.58251
1295.0000 -188.64397 -178.51257 10.13141 3.04506 -179.46432 1073.27986
1300.0000 -189.46962 -178.64984 10.81978 3.09398 -178.55601 1149.95466
1305.0000 -189.24165 -177.77286 11.46879 3.04158 -179.52892 1071.11528
1310.0000 -189.31349 -178.19121 11.12228 3.14800 -177.55306 1154.73443
1315.0000 -191.26775 -180.60094 10.66681 3.06573 -179.08053 1120.37699
1320.0000 -192.24544 -181.55490 10.69054 2.94929 -181.24240 1048.06754
1325.0000 -192.95704 -183.60441 9.35263 2.93479 -181.51161 1028.27364
1330.0000 -188.16162 -176.15468 12.00695 3.03823 -179.59109 1070.85027
1335.0000 -191.08345 -180.14962 10.93383 3.08532 -178.71691 1109.89993
1340.0000 -191.34970 -180.67413 10.67557 3.00515 -180.20538 1092.14153
1345.0000 -190.48347 -179.45632 11.02715 2.97598 -180.74687 1034.48537
1350.0000 -189.49757 -180.49370 9.00388 3.03930 -179.57120 1092.16814
1355.0000 -189.70510 -178.80235 10.90275 3.03480 -179.65481 1091.54627
1360.0000 -189.68842 -176.52691 13.16152 3.15535 -177.41667 1152.64795
1365.0000 -187.46867 -176.41762 11.05105 3.20064 -176.57579 1189.10823
1370.0000 -190.50364 -180.75203 9.75161 3.06810 -179.03659 1137.67592
1375.0000 -192.45219 -182.34842 10.10377 2.90698 -182.02797 1026.87518
1380.0000 -190.87991 -180.61794 10.26198 2.93172 -181.56864 1015.97576
1385.0000 -189.35601 -177.11605 12.23997 3.06573 -179.08052 1101.43087
1390.0000 -190.89085 -176.83195 14.05890 3.21095 -176.38441 1167.49461
1395.0000 -189.65518 -178.21917 11.43601 3.12079 -178.05822 1163.12450
1400.0000 -191.75407 -179.60854 12.14553 3.07545 -178.90006 1140.51361
1405.0000 -189.10890 -178.96288 10.14601 3.03249 -179.69774 1054.79698
1410.0000 -190.57833 -179.24473 11.33360 3.10929 -178.27180 1144.24362
1415.0000 -191.43236 -180.05674 11.37562 3.02312 -179.87176 1063.23169
1420.0000 -191.55124 -180.82522 10.72603 2.99179 -180.45331 1049.05853
1425.0000 -193.05092 -182.13742 10.91350 2.91938 -181.79779 1019.31858
1430.0000 -192.41905 -181.14886 11.27019 2.92656 -181.66453 1014.08343
1435.0000 -191.95025 -181.47832 10.47193 2.96074 -181.02982 1013.64110
1440.0000 -192.22597 -181.25728 10.96869 2.99369 -180.41811 1049.85915
1445.0000 -190.93626 -179.21532 11.72094 2.99571 -180.38050 1051.93437
1450.0000 -189.73547 -177.62482 12.11065 3.13226 -177.84539 1131.78903
1455.0000 -190.17230 -178.69640 11.47590 3.06720 -179.05319 1140.40117
1460.0000 -189.28368 -177.42576 11.85792 3.09955 -178.45269 1141.92106
1465.0000 -189.06413 -178.39427 10.66986 3.08464 -178.72955 1132.36036
1470.0000 -191.32281 -180.61365 10.70916 3.07508 -178.90693 1097.47744
1475.0000 -190.92314 -177.36680 13.55633 3.00964 -180.12191 1097.99388
1480.0000 -191.97841 -178.36766 13.61075 3.16208 -177.29162 1160.33570
1485.0000 -192.66613 -183.23032 9.43581 3.01332 -180.05360 1057.26109
1490.0000 -190.89704 -180.82902 10.06802 2.83017 -183.45399 961.95204
1495.0000 -191.34246 -180.19056 11.15190 3.05335 -179.31035 1133.01695
1500.0000 -189.71158 -178.09738 11.61420 3.04811 -179.40774 1103.53336
FREEZING PROCESS: loop number 7 T-loop= 1053.0000000000000
main_MD> interactions number 7 at Temperature= 1053.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.40424 -2.96348 -0.85909
force_rgl> df(natom) -3.94511 2.18850 -1.58730
1505.0000 -190.38237 -180.33728 10.04509 3.11543 -178.15783 1125.38412
1510.0000 -191.52212 -179.21037 12.31175 2.95782 -181.08401 1024.89319
1515.0000 -192.08624 -182.63313 9.45311 2.97205 -180.81984 1050.88720
1520.0000 -191.36224 -181.53329 9.82895 2.90847 -182.00034 973.33026
1525.0000 -193.96577 -184.29228 9.67349 2.93963 -181.42178 991.39083
1530.0000 -193.00310 -181.68127 11.32183 2.84114 -183.25039 977.11439
1535.0000 -191.45800 -179.94323 11.51477 3.03292 -179.68980 1098.56124
1540.0000 -190.92159 -181.13029 9.79130 3.01583 -180.00706 1071.12854
1545.0000 -190.92813 -178.25216 12.67597 2.98254 -180.62507 1034.07300
1550.0000 -193.06927 -182.29862 10.77066 2.96601 -180.93199 1053.21654
1555.0000 -193.08190 -181.72796 11.35394 2.85141 -183.05962 965.97683
1560.0000 -190.45221 -179.59141 10.86079 2.95614 -181.11534 1030.57169
1565.0000 -190.60872 -181.09070 9.51802 3.00143 -180.27442 1075.23186
1570.0000 -191.45350 -182.05599 9.39751 2.90418 -182.07997 1015.88796
1575.0000 -191.35504 -182.05268 9.30235 2.91749 -181.83292 995.16427
1580.0000 -194.64055 -184.08025 10.56031 2.93128 -181.57683 1017.00300
1585.0000 -192.96419 -182.04691 10.91728 2.91340 -181.90886 1036.67296
1590.0000 -191.15741 -179.52640 11.63101 2.96796 -180.89580 1054.62438
1595.0000 -191.96044 -180.56724 11.39320 3.00771 -180.15783 1066.85732
1600.0000 -192.31269 -181.18179 11.13090 2.97594 -180.74765 1041.38859
1605.0000 -192.45851 -183.27514 9.18337 2.85995 -182.90110 955.54002
1610.0000 -191.04930 -180.33612 10.71319 2.89162 -182.31310 1006.41819
1615.0000 -189.65256 -178.92744 10.72513 3.06510 -179.09223 1126.30231
1620.0000 -190.31290 -179.29966 11.01323 3.04360 -179.49145 1084.53819
1625.0000 -191.19169 -180.28073 10.91096 3.12876 -177.91026 1154.69802
1630.0000 -190.80734 -179.82780 10.97954 3.01801 -179.96661 1070.19992
1635.0000 -190.67395 -179.67263 11.00132 2.99375 -180.41706 1064.40664
1640.0000 -195.14313 -181.64423 13.49889 2.99797 -180.33868 1055.87997
1645.0000 -189.78882 -178.20130 11.58753 3.08327 -178.75485 1138.98322
1650.0000 -191.37174 -181.23155 10.14019 2.99499 -180.39392 1050.96117
1655.0000 -191.38495 -179.83301 11.55194 2.99848 -180.32917 1068.48651
1660.0000 -191.52278 -180.83110 10.69167 2.94164 -181.38448 1016.64339
1665.0000 -192.65295 -181.38540 11.26755 3.02107 -179.90974 1095.76787
1670.0000 -190.84300 -181.08055 9.76245 2.96779 -180.89904 1040.49436
1675.0000 -190.21342 -180.13620 10.07721 3.00527 -180.20305 1068.65930
1680.0000 -190.56791 -180.31287 10.25504 2.95769 -181.08653 1006.46891
1685.0000 -190.06720 -179.68958 10.37761 3.03005 -179.74307 1056.03794
1690.0000 -192.47751 -182.02033 10.45718 2.99358 -180.42006 1078.25764
1695.0000 -190.83738 -180.22067 10.61671 2.92279 -181.73436 1009.18042
1700.0000 -189.88605 -178.32963 11.55642 3.06167 -179.15594 1062.40588
1705.0000 -190.63065 -179.74267 10.88798 3.10429 -178.36467 1136.33838
1710.0000 -192.61535 -180.76610 11.84925 3.02982 -179.74730 1067.60369
1715.0000 -191.03772 -177.89265 13.14507 3.02211 -179.89042 1072.87892
1720.0000 -191.02170 -180.35150 10.67019 3.07595 -178.89081 1143.78888
1725.0000 -192.53033 -181.77926 10.75106 2.98149 -180.64465 1056.66667
1730.0000 -191.68604 -180.80358 10.88246 2.95029 -181.22386 1022.37584
1735.0000 -192.50489 -180.55253 11.95236 3.01384 -180.04403 1111.25172
1740.0000 -193.06566 -180.70492 12.36074 2.92696 -181.65707 1025.51558
1745.0000 -191.41783 -181.97283 9.44500 3.04640 -179.43937 1076.19457
1750.0000 -192.89108 -180.72587 12.16521 2.93779 -181.45602 1015.33866
FREEZING PROCESS: loop number 8 T-loop= 1028.0000000000000
main_MD> interactions number 8 at Temperature= 1028.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84638 -0.32950 -0.55800
force_rgl> df(natom) -2.40262 2.74873 -0.72245
1755.0000 -192.07529 -179.46452 12.61077 3.06656 -179.06520 1095.36991
1760.0000 -190.54307 -180.75267 9.79040 3.05802 -179.22376 1124.20540
1765.0000 -191.60669 -181.18713 10.41956 3.03278 -179.69225 1097.70515
1770.0000 -192.22580 -180.65486 11.57095 2.98044 -180.66418 1056.99144
1775.0000 -192.17713 -180.76750 11.40963 2.91768 -181.82937 1027.03991
1780.0000 -190.22679 -177.31087 12.91593 3.03307 -179.68702 1114.25840
1785.0000 -192.82587 -181.59401 11.23185 3.02468 -179.84278 1055.77887
1790.0000 -191.93683 -181.04434 10.89250 2.95030 -181.22360 1023.66322
1795.0000 -191.79180 -180.25196 11.53984 3.00601 -180.18936 1076.31869
1800.0000 -193.16079 -182.38039 10.78040 2.91108 -181.95189 1037.97486
1805.0000 -192.49022 -182.53930 9.95092 2.82471 -183.55536 960.65338
1810.0000 -192.34488 -182.45749 9.88740 2.89219 -182.30260 998.87536
1815.0000 -191.49810 -180.68606 10.81204 2.96962 -180.86504 1038.83888
1820.0000 -192.40747 -181.10165 11.30583 3.02388 -179.85757 1095.01886
1825.0000 -190.67604 -180.59606 10.07998 2.99149 -180.45884 1064.95115
1830.0000 -192.87207 -182.78974 10.08233 2.89597 -182.23233 977.45039
1835.0000 -191.72643 -180.61175 11.11468 2.91916 -181.80192 1009.90979
1840.0000 -192.82557 -180.95185 11.87373 3.00128 -180.27710 1039.35022
1845.0000 -193.22642 -182.66363 10.56279 2.91155 -181.94311 1017.63894
1850.0000 -191.26065 -182.14328 9.11737 2.90283 -182.10508 986.31967
1855.0000 -192.83362 -183.27000 9.56362 2.91019 -181.96846 1015.42887
1860.0000 -192.54520 -182.03286 10.51234 2.86251 -182.85360 957.46148
1865.0000 -192.36958 -181.32627 11.04330 2.88761 -182.38765 976.02970
1870.0000 -192.04796 -179.67893 12.36903 3.00299 -180.24546 1092.31253
1875.0000 -190.57930 -180.78035 9.79895 3.03760 -179.60287 1114.46797
1880.0000 -191.00964 -180.42966 10.57998 3.02567 -179.82443 1105.55626
1885.0000 -194.49998 -182.45080 12.04919 2.98027 -180.66719 1064.67509
1890.0000 -192.99320 -181.52882 11.46438 2.91735 -181.83538 1046.30877
1895.0000 -193.23769 -181.60984 11.62785 2.94646 -181.29505 1040.83773
1900.0000 -192.82713 -182.01180 10.81533 2.91722 -181.83777 1017.61344
1905.0000 -190.53577 -180.04715 10.48862 2.97868 -180.69677 1039.11874
1910.0000 -190.14360 -176.88338 13.26021 3.10240 -178.39966 1116.64753
1915.0000 -190.90454 -179.63220 11.27234 3.09269 -178.58004 1124.50665
1920.0000 -193.00324 -182.72448 10.27875 2.95675 -181.10384 1033.32271
1925.0000 -192.95395 -182.55950 10.39445 2.94619 -181.30003 1048.49316
1930.0000 -193.01871 -185.14133 7.87738 2.78587 -184.27650 919.26385
1935.0000 -193.40163 -183.86023 9.54140 2.76566 -184.65181 902.24212
1940.0000 -192.41231 -182.23937 10.17294 2.81794 -183.68118 951.87173
1945.0000 -192.10070 -182.42082 9.67988 2.87316 -182.65597 971.19092
1950.0000 -191.29277 -181.82704 9.46573 2.92133 -181.76158 1022.16804
1955.0000 -192.50178 -183.08796 9.41381 2.85540 -182.98555 941.21653
1960.0000 -192.21994 -182.41903 9.80091 2.89786 -182.19722 990.79667
1965.0000 -190.77022 -181.38570 9.38452 2.85236 -183.04215 931.93817
1970.0000 -190.75009 -181.29840 9.45169 2.95905 -181.06127 1031.34432
1975.0000 -192.97421 -181.78188 11.19233 2.96414 -180.96670 1044.93305
1980.0000 -194.10372 -182.19629 11.90743 2.89397 -182.26955 1016.89161
1985.0000 -193.10250 -183.36335 9.73915 2.85260 -183.03756 944.70080
1990.0000 -193.91079 -183.97044 9.94035 2.83862 -183.29717 961.39619
1995.0000 -191.37393 -181.22257 10.15136 2.88119 -182.50689 1008.04077
2000.0000 -192.73632 -181.84789 10.88843 2.93080 -181.58565 1014.17348
FREEZING PROCESS: loop number 9 T-loop= 1003.0000000000000
main_MD> interactions number 9 at Temperature= 1003.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78952 5.46992 3.18673
force_rgl> df(natom) -1.23197 0.22256 -1.53281
2005.0000 -191.25008 -180.81530 10.43478 2.89542 -182.24255 988.13053
2010.0000 -193.82624 -184.11865 9.70759 2.84000 -183.27152 935.23660
2015.0000 -194.68619 -184.18019 10.50600 2.74764 -184.98629 899.86247
2020.0000 -193.25142 -184.32959 8.92183 2.76006 -184.75574 907.94012
2025.0000 -195.16297 -184.81700 10.34597 2.73052 -185.30411 897.12964
2030.0000 -191.80049 -183.50048 8.30000 2.76528 -184.65887 910.43418
2035.0000 -190.64663 -181.37674 9.26989 2.88654 -182.40747 996.67596
2040.0000 -193.28618 -182.28606 11.00012 2.96173 -181.01139 1074.15075
2045.0000 -191.22977 -180.02880 11.20097 3.01875 -179.95275 1112.22803
2050.0000 -192.96764 -181.75701 11.21063 2.94862 -181.25494 1038.30610
2055.0000 -192.52063 -181.23029 11.29034 2.93393 -181.52759 1045.45357
2060.0000 -193.90923 -183.37882 10.53041 2.86818 -182.74844 982.40060
2065.0000 -193.42032 -183.87334 9.54698 2.77240 -184.52659 931.91218
2070.0000 -191.61216 -181.54095 10.07120 2.80373 -183.94496 959.83011
2075.0000 -191.35117 -179.58710 11.76407 2.97446 -180.77519 1032.53917
2080.0000 -190.33191 -179.92096 10.41095 3.02656 -179.80775 1097.45250
2085.0000 -191.81238 -182.04375 9.76862 2.92586 -181.67750 1002.49297
2090.0000 -191.32765 -180.87257 10.45508 2.94468 -181.32808 1032.99389
2095.0000 -191.22098 -180.22143 10.99955 2.97796 -180.71009 1035.29419
2100.0000 -191.48374 -180.27982 11.20392 2.99005 -180.48571 1052.10558
2105.0000 -190.73946 -181.10634 9.63312 3.00309 -180.24355 1055.21950
2110.0000 -192.55464 -182.22713 10.32750 2.91953 -181.79499 1047.83596
2115.0000 -194.87289 -183.38558 11.48731 2.90045 -182.14918 1011.99100
2120.0000 -193.73253 -183.79136 9.94117 2.84743 -183.13352 979.96382
2125.0000 -192.31114 -182.55811 9.75303 2.85590 -182.97643 979.07169
2130.0000 -190.90330 -179.83949 11.06381 2.95933 -181.05601 1049.51320
2135.0000 -194.04602 -183.66246 10.38357 2.97775 -180.71400 1058.12419
2140.0000 -191.46469 -181.66183 9.80286 2.86914 -182.73061 994.56486
2145.0000 -193.64455 -182.92128 10.72327 2.88550 -182.42671 972.32662
2150.0000 -191.80641 -179.16184 12.64457 2.93685 -181.47337 1056.51375
2155.0000 -193.44908 -180.46812 12.98097 2.97545 -180.75672 1060.46219
2160.0000 -191.53918 -181.38283 10.15635 2.99835 -180.33154 1070.07907
2165.0000 -192.13776 -180.88030 11.25746 2.93965 -181.42149 1027.95223
2170.0000 -190.40503 -179.60266 10.80237 3.03014 -179.74143 1080.00443
2175.0000 -193.15405 -182.70113 10.45291 2.93287 -181.54723 1005.81844
2180.0000 -192.25587 -181.57809 10.67778 2.88139 -182.50306 1009.75379
2185.0000 -191.40890 -182.07221 9.33669 2.92391 -181.71369 993.84791
2190.0000 -192.72725 -181.19465 11.53261 2.88511 -182.43400 980.73567
2195.0000 -189.60382 -177.70397 11.89985 3.05127 -179.34896 1086.16657
2200.0000 -192.01786 -181.03192 10.98594 3.02427 -179.85026 1084.22065
2205.0000 -193.68973 -183.40602 10.28371 2.94195 -181.37874 1037.46462
2210.0000 -191.75103 -181.63538 10.11565 2.87637 -182.59630 981.46034
2215.0000 -192.62510 -182.35173 10.27338 2.88183 -182.49498 1000.98767
2220.0000 -194.58986 -184.90766 9.68221 2.78808 -184.23548 926.52838
2225.0000 -194.44730 -184.43458 10.01272 2.78723 -184.25133 923.85951
2230.0000 -191.99788 -182.44075 9.55713 2.78807 -184.23572 922.36424
2235.0000 -194.32355 -184.72238 9.60117 2.85260 -183.03762 967.33924
2240.0000 -192.18888 -182.40651 9.78237 2.80947 -183.83840 962.96750
2245.0000 -191.06232 -182.61775 8.44457 2.89610 -182.22992 1001.46118
2250.0000 -191.46000 -181.41508 10.04492 2.96322 -180.98377 1048.29181
FREEZING PROCESS: loop number 10 T-loop= 978.00000000000000
main_MD> interactions number 10 at Temperature= 978.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81566 2.85123 -1.69675
force_rgl> df(natom) -1.29978 -0.85929 0.23775
2255.0000 -192.23284 -180.16873 12.06411 2.95806 -181.07967 1046.96469
2260.0000 -192.48317 -182.86488 9.61829 2.98765 -180.53025 1059.34471
2265.0000 -193.16745 -182.50027 10.66718 2.88067 -182.51644 999.88969
2270.0000 -194.39845 -183.82584 10.57260 2.84562 -183.16728 965.83964
2275.0000 -192.79844 -182.84823 9.95021 2.80864 -183.85380 941.73371
2280.0000 -192.16099 -182.27448 9.88651 2.85439 -183.00441 947.95838
2285.0000 -193.16965 -184.35957 8.81008 2.83160 -183.42749 943.07798
2290.0000 -192.36013 -179.93918 12.42095 2.89520 -182.24676 1016.57010
2295.0000 -191.42653 -180.86410 10.56243 2.99935 -180.31302 1054.51128
2300.0000 -192.65896 -182.45717 10.20179 2.92441 -181.70436 1028.88455
2305.0000 -194.52274 -183.42037 11.10237 2.86019 -182.89664 986.10645
2310.0000 -193.50477 -183.59533 9.90944 2.77553 -184.46845 930.30317
2315.0000 -192.22062 -182.28044 9.94018 2.85427 -183.00670 969.98156
2320.0000 -193.16446 -182.02451 11.13996 2.90113 -182.13653 1012.89263
2325.0000 -190.30341 -180.02510 10.27831 2.92536 -181.68665 980.58000
2330.0000 -192.54371 -181.69098 10.85273 2.98644 -180.55271 1031.00788
2335.0000 -191.10016 -180.95729 10.14287 2.94680 -181.28863 1035.44798
2340.0000 -191.41185 -181.30355 10.10830 2.93526 -181.50294 1013.96743
2345.0000 -194.50768 -185.22113 9.28655 2.84225 -183.22970 958.59430
2350.0000 -194.95513 -186.54256 8.41257 2.74890 -184.96302 906.67427
2355.0000 -193.81656 -184.20348 9.61308 2.72493 -185.40804 899.59341
2360.0000 -194.16538 -183.73317 10.43221 2.74860 -184.96852 908.08926
2365.0000 -192.10892 -182.49026 9.61866 2.87119 -182.69244 977.41212
2370.0000 -194.51280 -182.98898 11.52382 2.93827 -181.44707 1031.05193
2375.0000 -192.42363 -182.48142 9.94221 2.87336 -182.65213 981.65460
2380.0000 -194.59382 -184.21355 10.38027 2.77789 -184.42469 934.69887
2385.0000 -192.71421 -184.15253 8.56168 2.82425 -183.56406 992.10580
2390.0000 -193.89005 -181.93855 11.95150 2.89259 -182.29506 1012.68608
2395.0000 -194.08548 -184.03146 10.05402 2.81928 -183.65633 960.93009
2400.0000 -193.03090 -183.85416 9.17674 2.81252 -183.78173 931.17058
2405.0000 -192.62448 -182.91860 9.70588 2.81743 -183.69060 906.30362
2410.0000 -194.01003 -183.64074 10.36929 2.81574 -183.72203 929.93136
2415.0000 -193.62360 -183.62332 10.00027 2.85909 -182.91715 961.29993
2420.0000 -193.84398 -183.80984 10.03414 2.82369 -183.57429 965.59836
2425.0000 -194.65447 -183.95538 10.69908 2.81567 -183.72326 974.88946
2430.0000 -194.12050 -182.11407 12.00643 2.82124 -183.61979 974.71981
2435.0000 -193.76241 -184.04189 9.72051 2.82979 -183.46117 964.84441
2440.0000 -194.11802 -183.58952 10.52850 2.80191 -183.97879 954.17202
2445.0000 -192.98195 -182.20737 10.77458 2.86500 -182.80733 990.88490
2450.0000 -190.22488 -178.87740 11.34748 3.03388 -179.67197 1064.72597
2455.0000 -192.77690 -180.68365 12.09326 3.01443 -180.03297 1074.03797
2460.0000 -191.05552 -178.76927 12.28625 3.03223 -179.70255 1124.14036
2465.0000 -190.82702 -179.31911 11.50791 3.06765 -179.04489 1109.40447
2470.0000 -191.49446 -181.35178 10.14268 3.01128 -180.09159 1093.45409
2475.0000 -193.75872 -183.68965 10.06907 2.88264 -182.47979 1010.18221
2480.0000 -193.37607 -183.73712 9.63895 2.78345 -184.32151 965.06629
2485.0000 -193.00120 -182.99216 10.00904 2.83332 -183.39560 965.48984
2490.0000 -193.12360 -183.73540 9.38820 2.82081 -183.62776 945.95001
2495.0000 -192.37609 -184.28160 8.09448 2.79732 -184.06388 949.82565
2500.0000 -193.40461 -184.60620 8.79841 2.77055 -184.56104 926.10772
FREEZING PROCESS: loop number 11 T-loop= 953.00000000000000
main_MD> interactions number 11 at Temperature= 953.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22101 1.57397 -0.19068
force_rgl> df(natom) -0.89109 -0.08304 -0.86299
2505.0000 -194.61060 -185.10244 9.50816 2.76452 -184.67296 919.89251
2510.0000 -193.22197 -182.93607 10.28590 2.81669 -183.70427 943.84995
2515.0000 -194.13046 -184.55716 9.57329 2.83958 -183.27936 972.58312
2520.0000 -193.04144 -184.89330 8.14813 2.78898 -184.21887 923.66194
2525.0000 -193.17188 -185.63924 7.53264 2.73033 -185.30769 899.09956
2530.0000 -193.22787 -183.04061 10.18726 2.77545 -184.46997 905.56447
2535.0000 -194.07400 -185.04860 9.02541 2.80913 -183.84478 943.69618
2540.0000 -195.64577 -184.96541 10.68036 2.76095 -184.73928 928.87464
2545.0000 -192.96296 -183.06387 9.89910 2.79644 -184.08026 932.79456
2550.0000 -193.10586 -183.55355 9.55231 2.83789 -183.31067 948.74487
2555.0000 -191.94807 -181.86583 10.08223 2.89153 -182.31491 988.85324
2560.0000 -192.27427 -181.91023 10.36404 2.90329 -182.09655 1003.85435
2565.0000 -195.11540 -186.07231 9.04309 2.84216 -183.23140 974.71335
2570.0000 -195.69299 -187.12764 8.56535 2.68425 -186.16329 886.35705
2575.0000 -195.64591 -185.95433 9.69158 2.67803 -186.27867 883.16973
2580.0000 -195.20610 -185.84481 9.36129 2.74352 -185.06277 906.92855
2585.0000 -193.58415 -183.79004 9.79411 2.77574 -184.46461 923.80513
2590.0000 -193.56372 -184.36695 9.19677 2.81131 -183.80423 949.06072
2595.0000 -192.53824 -182.48324 10.05500 2.80591 -183.90456 951.61122
2600.0000 -192.95028 -183.36625 9.58404 2.87296 -182.65952 1023.41179
2605.0000 -193.58770 -184.85780 8.72990 2.84472 -183.18395 965.18874
2610.0000 -191.97567 -182.50978 9.46588 2.82534 -183.54375 912.53617
2615.0000 -193.70292 -183.13370 10.56922 2.87038 -182.70743 963.71798
2620.0000 -192.61649 -184.31567 8.30082 2.75126 -184.91922 906.90842
2625.0000 -191.78437 -183.02251 8.76186 2.84158 -183.24228 952.28062
2630.0000 -194.66720 -183.00461 11.66259 2.82079 -183.62824 974.79807
2635.0000 -195.26050 -183.98154 11.27896 2.88788 -182.38254 1021.65896
2640.0000 -191.67348 -181.15436 10.51912 2.86775 -182.75634 985.58858
2645.0000 -193.20455 -182.48854 10.71601 2.89561 -182.23906 994.73937
2650.0000 -193.13081 -180.99871 12.13210 2.95871 -181.06761 1030.91896
2655.0000 -192.94181 -180.63904 12.30277 2.97744 -180.71984 1030.42606
2660.0000 -193.76542 -183.48417 10.28125 2.91367 -181.90381 1023.96603
2665.0000 -193.60865 -184.21958 9.38906 2.79223 -184.15838 915.72294
2670.0000 -194.41419 -183.90479 10.50940 2.78651 -184.26471 914.17821
2675.0000 -193.01216 -183.00685 10.00531 2.80786 -183.86834 937.79994
2680.0000 -192.76370 -182.82082 9.94289 2.89581 -182.23542 984.56165
2685.0000 -193.58093 -183.11729 10.46365 2.87950 -182.53818 980.68408
2690.0000 -193.27753 -184.00107 9.27646 2.83672 -183.33240 972.96094
2695.0000 -194.15397 -185.46760 8.68637 2.74227 -185.08598 881.08297
2700.0000 -193.08809 -184.11675 8.97134 2.77325 -184.51092 888.51028
2705.0000 -193.52640 -181.90470 11.62170 2.84670 -183.14721 966.67463
2710.0000 -193.19686 -182.51325 10.68360 2.91819 -181.81992 1007.94073
2715.0000 -195.79465 -187.48022 8.31444 2.80327 -183.95347 930.91821
2720.0000 -195.82183 -187.65093 8.17090 2.60708 -187.59604 837.95445
2725.0000 -193.92914 -183.86712 10.06202 2.74815 -184.97692 902.00841
2730.0000 -194.94908 -186.37978 8.56930 2.73998 -185.12855 884.69847
2735.0000 -193.15375 -182.57787 10.57587 2.79549 -184.09793 926.26496
2740.0000 -193.26499 -184.38578 8.87921 2.80580 -183.90654 932.34693
2745.0000 -193.13305 -184.35724 8.77581 2.76739 -184.61971 918.01444
2750.0000 -193.94462 -184.82460 9.12003 2.75856 -184.78359 885.59756
FREEZING PROCESS: loop number 12 T-loop= 928.00000000000000
main_MD> interactions number 12 at Temperature= 928.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.26996 0.52681 -3.61291
force_rgl> df(natom) -1.45059 1.71381 2.15878
2755.0000 -193.26472 -183.94207 9.32265 2.77065 -184.55917 915.76380
2760.0000 -194.90072 -184.32172 10.57900 2.76303 -184.70057 892.31684
2765.0000 -192.89603 -181.90719 10.98883 2.87658 -182.59243 984.01189
2770.0000 -192.97259 -182.24363 10.72896 2.88787 -182.38286 1013.45092
2775.0000 -193.01073 -182.39832 10.61241 2.91692 -181.84346 999.64797
2780.0000 -195.03927 -186.44359 8.59568 2.77964 -184.39226 899.48039
2785.0000 -193.71889 -186.31973 7.39916 2.65803 -186.64999 852.46663
2790.0000 -194.52518 -185.45989 9.06529 2.75528 -184.84445 907.39115
2795.0000 -193.79077 -186.05382 7.73695 2.72032 -185.49350 899.54413
2800.0000 -193.68679 -184.30826 9.37853 2.73934 -185.14039 885.20935
2805.0000 -193.37642 -183.36631 10.01011 2.82079 -183.62825 968.98862
2810.0000 -195.14324 -185.84858 9.29466 2.74416 -185.05097 918.42904
2815.0000 -192.36443 -182.77624 9.58819 2.79234 -184.15647 943.50944
2820.0000 -194.16366 -184.16164 10.00202 2.87011 -182.71252 996.40846
2825.0000 -193.46581 -184.12337 9.34244 2.75956 -184.76507 900.37411
2830.0000 -194.72113 -184.03990 10.68123 2.84916 -183.10142 961.81772
2835.0000 -191.00923 -180.45236 10.55687 2.90601 -182.04607 1000.60490
2840.0000 -193.96567 -182.38919 11.57648 2.98174 -180.63993 1030.02266
2845.0000 -194.21025 -185.91554 8.29471 2.76457 -184.67205 912.86319
2850.0000 -193.97355 -183.39662 10.57694 2.77530 -184.47285 915.57042
2855.0000 -195.84650 -186.77473 9.07178 2.73848 -185.15648 910.41887
2860.0000 -195.29831 -185.19580 10.10250 2.71907 -185.51686 871.70791
2865.0000 -195.02948 -186.03529 8.99419 2.71299 -185.62958 891.25690
2870.0000 -193.99366 -183.46028 10.53337 2.74855 -184.96936 908.13826
2875.0000 -193.71530 -183.28865 10.42665 2.86423 -182.82160 980.98592
2880.0000 -193.51510 -182.57118 10.94391 2.85539 -182.98583 956.75715
2885.0000 -195.31862 -185.28427 10.03434 2.81827 -183.67508 933.28193
2890.0000 -193.77248 -184.37138 9.40109 2.75037 -184.93556 913.17565
2895.0000 -192.24074 -182.80046 9.44028 2.82060 -183.63178 950.76581
2900.0000 -192.56818 -182.99658 9.57160 2.86678 -182.77427 956.70950
2905.0000 -192.70647 -182.85224 9.85423 2.87505 -182.62076 994.14551
2910.0000 -193.71759 -183.62887 10.08872 2.84537 -183.17183 975.53226
2915.0000 -192.24598 -181.15368 11.09230 2.93196 -181.56424 1013.39786
2920.0000 -195.34366 -185.14857 10.19508 2.82528 -183.54482 960.39236
2925.0000 -194.31243 -183.30984 11.00259 2.77583 -184.46299 907.29067
2930.0000 -194.08272 -184.15504 9.92768 2.81687 -183.70105 957.51703
2935.0000 -193.53623 -184.81951 8.71672 2.79722 -184.06575 941.48018
2940.0000 -194.21751 -185.74157 8.47594 2.78826 -184.23211 903.25989
2945.0000 -194.80630 -185.23263 9.57367 2.70552 -185.76829 871.63662
2950.0000 -195.24314 -184.46950 10.77364 2.77432 -184.49107 924.00833
2955.0000 -194.68595 -186.13785 8.54810 2.68851 -186.08422 839.48622
2960.0000 -193.94047 -184.24103 9.69944 2.72986 -185.31650 897.99959
2965.0000 -194.98891 -185.77522 9.21370 2.77568 -184.46581 923.97106
2970.0000 -194.28894 -184.75509 9.53385 2.73575 -185.20712 908.47039
2975.0000 -194.91708 -185.06543 9.85166 2.74326 -185.06761 904.28051
2980.0000 -194.02697 -183.35569 10.67129 2.73578 -185.20645 908.84133
2985.0000 -195.01738 -185.11119 9.90619 2.81242 -183.78364 960.45374
2990.0000 -194.41473 -185.76993 8.64480 2.72610 -185.38632 901.21170
2995.0000 -194.91871 -185.62223 9.29648 2.69478 -185.96770 884.13655
3000.0000 -192.03367 -181.85871 10.17496 2.85782 -182.94065 972.35332
FREEZING PROCESS: loop number 13 T-loop= 903.00000000000000
main_MD> interactions number 13 at Temperature= 903.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08888 -4.15269 -9.23931
force_rgl> df(natom) -3.81113 -7.32697 -5.82152
3005.0000 -191.78494 -181.59132 10.19362 2.93514 -181.50522 1030.70861
3010.0000 -192.52542 -183.08984 9.43557 2.91350 -181.90686 998.85607
3015.0000 -193.82595 -184.70484 9.12111 2.81299 -183.77300 954.30854
3020.0000 -193.46216 -184.25192 9.21023 2.72466 -185.41297 896.82008
3025.0000 -195.82266 -187.01671 8.80595 2.71639 -185.56661 891.29292
3030.0000 -195.80512 -186.25948 9.54564 2.65770 -186.65614 876.71933
3035.0000 -194.83821 -185.68779 9.15042 2.69459 -185.97133 897.01870
3040.0000 -194.96978 -185.55008 9.41970 2.74136 -185.10296 917.17968
3045.0000 -193.77307 -185.15780 8.61527 2.74849 -184.97061 893.57572
3050.0000 -193.42255 -184.02811 9.39445 2.78426 -184.30640 921.33476
3055.0000 -194.00872 -183.63112 10.37760 2.80951 -183.83760 935.76181
3060.0000 -195.28112 -183.94061 11.34051 2.80860 -183.85458 938.74356
3065.0000 -193.46355 -185.34761 8.11594 2.78278 -184.33399 897.61175
3070.0000 -194.64157 -185.13209 9.50948 2.72796 -185.35167 894.51844
3075.0000 -193.03888 -183.45499 9.58389 2.85572 -182.97976 973.35238
3080.0000 -192.77967 -184.59336 8.18631 2.86592 -182.79037 1000.54864
3085.0000 -193.18363 -183.82790 9.35573 2.78165 -184.35484 879.23841
3090.0000 -194.02286 -184.18777 9.83509 2.78569 -184.27992 937.05909
3095.0000 -194.00477 -185.00252 9.00225 2.78985 -184.20265 919.82327
3100.0000 -195.42127 -186.49220 8.92906 2.74175 -185.09562 885.55329
3105.0000 -193.56867 -183.83668 9.73198 2.71042 -185.67741 875.23726
3110.0000 -193.74214 -184.52142 9.22072 2.77042 -184.56342 903.05620
3115.0000 -192.92285 -184.67776 8.24508 2.77604 -184.45899 914.80164
3120.0000 -195.04705 -185.78779 9.25926 2.76383 -184.68569 866.39978
3125.0000 -195.42639 -187.32663 8.09976 2.67492 -186.33651 846.39500
3130.0000 -194.41080 -184.59788 9.81291 2.71729 -185.54977 869.29451
3135.0000 -192.92426 -184.36504 8.55922 2.72488 -185.40886 904.05364
3140.0000 -192.90474 -182.77404 10.13070 2.84109 -183.25138 985.98428
3145.0000 -192.33581 -183.21273 9.12308 2.84240 -183.22699 966.94722
3150.0000 -194.43865 -184.80763 9.63102 2.81859 -183.66903 961.49316
3155.0000 -194.20205 -184.06481 10.13723 2.79570 -184.09413 952.18227
3160.0000 -194.74368 -184.80289 9.94079 2.73712 -185.18170 903.06567
3165.0000 -194.01084 -184.66776 9.34308 2.75325 -184.88219 914.07344
3170.0000 -193.95134 -184.91676 9.03458 2.74676 -185.00275 910.44989
3175.0000 -193.96670 -184.54352 9.42317 2.75144 -184.91580 885.05123
3180.0000 -192.54981 -183.80460 8.74521 2.80438 -183.93289 938.73177
3185.0000 -193.87765 -184.63407 9.24358 2.78473 -184.29777 936.55963
3190.0000 -193.26017 -184.79310 8.46707 2.75260 -184.89421 902.60722
3195.0000 -194.96248 -185.86013 9.10234 2.73238 -185.26964 881.25147
3200.0000 -193.60660 -184.33786 9.26873 2.70765 -185.72885 871.82591
3205.0000 -193.46413 -182.94839 10.51573 2.80334 -183.95216 920.43135
3210.0000 -195.18214 -184.81098 10.37116 2.80142 -183.98775 938.26476
3215.0000 -196.27074 -185.77972 10.49103 2.76370 -184.68823 902.38132
3220.0000 -196.08418 -187.21059 8.87359 2.67556 -186.32465 850.38764
3225.0000 -194.33283 -186.29665 8.03618 2.67511 -186.33298 843.39474
3230.0000 -194.83082 -186.38322 8.44759 2.67589 -186.31856 821.59676
3235.0000 -195.18479 -186.08116 9.10363 2.64166 -186.95399 831.05134
3240.0000 -193.88711 -185.36480 8.52231 2.75468 -184.85556 874.61766
3245.0000 -194.64882 -184.59914 10.04968 2.72240 -185.45498 907.58160
3250.0000 -194.22335 -185.27674 8.94661 2.76920 -184.58610 933.31156
FREEZING PROCESS: loop number 14 T-loop= 878.00000000000000
main_MD> interactions number 14 at Temperature= 878.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.20177 0.08630 -6.74277
force_rgl> df(natom) 0.67042 2.44544 -1.26654
3255.0000 -193.31109 -184.65740 8.65369 2.73054 -185.30384 905.71211
3260.0000 -192.98189 -183.91138 9.07051 2.77366 -184.50320 906.92287
3265.0000 -195.84535 -187.16700 8.67835 2.74280 -185.07615 891.18826
3270.0000 -195.95965 -187.38787 8.57178 2.61936 -187.36804 831.96226
3275.0000 -193.68129 -186.30966 7.37163 2.63748 -187.03167 861.58866
3280.0000 -193.62451 -184.76581 8.85869 2.69792 -185.90955 853.91258
3285.0000 -194.15107 -183.53251 10.61855 2.81961 -183.65013 949.83470
3290.0000 -193.50841 -184.88905 8.61937 2.74952 -184.95147 885.85059
3295.0000 -193.93338 -182.75714 11.17625 2.78781 -184.24047 918.76766
3300.0000 -192.84256 -184.39360 8.44896 2.79417 -184.12240 940.78145
3305.0000 -193.54720 -185.55072 7.99648 2.70676 -185.74535 879.71854
3310.0000 -194.79307 -186.38206 8.41101 2.68508 -186.14794 865.76624
3315.0000 -194.49430 -185.03161 9.46269 2.74555 -185.02515 880.86457
3320.0000 -194.27672 -184.52524 9.75149 2.81135 -183.80354 905.38510
3325.0000 -193.09175 -183.43658 9.65517 2.77442 -184.48922 916.80761
3330.0000 -194.80966 -186.32080 8.48886 2.76892 -184.59121 902.81336
3335.0000 -195.00559 -185.56603 9.43957 2.67903 -186.26018 881.76570
3340.0000 -195.54466 -185.85719 9.68747 2.69558 -185.95285 883.96883
3345.0000 -194.08182 -186.02419 8.05763 2.70145 -185.84399 879.47343
3350.0000 -194.31617 -185.75096 8.56521 2.67779 -186.28324 877.02167
3355.0000 -194.03714 -184.36695 9.67019 2.73360 -185.24693 909.30293
3360.0000 -195.14145 -185.94749 9.19397 2.71032 -185.67929 884.27575
3365.0000 -194.77855 -185.35717 9.42138 2.72052 -185.48991 878.25637
3370.0000 -194.99786 -186.84005 8.15781 2.70636 -185.75284 864.01006
3375.0000 -195.49699 -185.91278 9.58421 2.67835 -186.27280 852.59623
3380.0000 -195.23955 -187.93217 7.30738 2.69024 -186.05213 859.15598
3385.0000 -196.07098 -186.61744 9.45354 2.59890 -187.74790 825.20768
3390.0000 -196.48269 -188.52348 7.95921 2.59069 -187.90024 798.62798
3395.0000 -195.97374 -187.24067 8.73308 2.60762 -187.58592 828.05838
3400.0000 -196.28124 -187.61313 8.66811 2.58329 -188.03767 793.63328
3405.0000 -195.97187 -187.27386 8.69801 2.62781 -187.21121 837.27613
3410.0000 -194.66391 -187.30366 7.36025 2.65947 -186.62340 841.72783
3415.0000 -195.53297 -186.79968 8.73329 2.59236 -187.86940 813.16578
3420.0000 -194.24192 -186.46240 7.77952 2.64624 -186.86904 843.22022
3425.0000 -194.04365 -186.37734 7.66631 2.63173 -187.13828 832.20631
3430.0000 -193.81343 -185.49174 8.32169 2.70449 -185.78742 870.63249
3435.0000 -195.24829 -186.01206 9.23623 2.68633 -186.12472 872.27179
3440.0000 -193.08528 -185.48129 7.60399 2.67316 -186.36910 852.76789
3445.0000 -193.26309 -184.29903 8.96405 2.78950 -184.20912 904.04229
3450.0000 -193.81616 -185.28268 8.53347 2.71068 -185.67255 876.09040
3455.0000 -196.74850 -188.13266 8.61585 2.63284 -187.11779 832.35416
3460.0000 -196.68672 -188.18061 8.50611 2.53067 -189.01477 760.84001
3465.0000 -197.01665 -189.84402 7.17263 2.47576 -190.03422 750.69781
3470.0000 -195.60749 -186.92181 8.68568 2.62309 -187.29871 848.47896
3475.0000 -195.42313 -186.44128 8.98185 2.65156 -186.77015 813.89144
3480.0000 -193.57346 -184.83437 8.73908 2.72397 -185.42587 869.66040
3485.0000 -194.06606 -185.32079 8.74528 2.72428 -185.42008 877.10202
3490.0000 -195.70331 -185.62779 10.07552 2.72992 -185.31530 861.33702
3495.0000 -195.53174 -186.36445 9.16730 2.67588 -186.31868 871.94863
3500.0000 -195.63638 -186.72078 8.91559 2.67223 -186.38643 865.08275
FREEZING PROCESS: loop number 15 T-loop= 853.00000000000000
main_MD> interactions number 15 at Temperature= 853.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.79882 -5.76019 4.26161
force_rgl> df(natom) -1.15825 3.38509 -1.81652
3505.0000 -194.86900 -187.14094 7.72806 2.67231 -186.38503 850.99128
3510.0000 -194.33052 -185.78795 8.54257 2.64832 -186.83037 850.55658
3515.0000 -194.39533 -185.79167 8.60366 2.70710 -185.73896 848.68662
3520.0000 -193.97193 -185.54641 8.42551 2.69115 -186.03514 850.67889
3525.0000 -195.48213 -187.48439 7.99774 2.71169 -185.65387 880.82261
3530.0000 -195.47032 -185.69544 9.77488 2.66770 -186.47062 865.08186
3535.0000 -194.98811 -188.29680 6.69132 2.62281 -187.30390 830.74919
3540.0000 -195.80537 -186.56470 9.24067 2.61222 -187.50058 827.01742
3545.0000 -196.14489 -188.56614 7.57875 2.60217 -187.68717 809.82639
3550.0000 -196.44408 -186.53200 9.91208 2.62111 -187.33558 822.63395
3555.0000 -195.87444 -187.94084 7.93360 2.66163 -186.58320 835.80908
3560.0000 -196.41182 -187.93713 8.47469 2.61681 -187.41542 800.73507
3565.0000 -196.36534 -186.77818 9.58716 2.62915 -187.18628 807.53587
3570.0000 -197.42734 -186.94957 10.47777 2.66317 -186.55465 821.11220
3575.0000 -194.53980 -185.23132 9.30848 2.72630 -185.38252 905.10490
3580.0000 -196.84571 -188.67151 8.17419 2.65536 -186.69963 877.55059
3585.0000 -196.15950 -187.02467 9.13482 2.66348 -186.54891 854.14228
3590.0000 -194.22608 -186.65138 7.57469 2.67715 -186.29506 850.89430
3595.0000 -194.15787 -185.66888 8.48899 2.70325 -185.81056 877.17211
3600.0000 -195.05116 -185.38598 9.66519 2.74156 -185.09920 915.87264
3605.0000 -196.77573 -186.82866 9.94707 2.69936 -185.88276 879.50891
3610.0000 -194.06034 -185.18090 8.87943 2.72961 -185.32114 893.69648
3615.0000 -195.76056 -186.61204 9.14852 2.73972 -185.13338 889.50912
3620.0000 -193.41166 -185.27476 8.13690 2.64459 -186.89967 823.67666
3625.0000 -192.77649 -183.81443 8.96206 2.75033 -184.93645 904.97246
3630.0000 -194.42494 -184.97950 9.44543 2.80296 -183.95928 945.35987
3635.0000 -194.35784 -184.75657 9.60127 2.72502 -185.40633 871.39434
3640.0000 -195.69308 -185.89736 9.79571 2.71124 -185.66216 867.73234
3645.0000 -194.65431 -184.37240 10.28190 2.70435 -185.79016 868.89785
3650.0000 -194.10240 -183.50115 10.60126 2.80264 -183.96512 938.96395
3655.0000 -195.40956 -186.58510 8.82447 2.71986 -185.50213 906.02560
3660.0000 -196.65222 -187.04379 9.60843 2.64624 -186.86897 824.41290
3665.0000 -194.06569 -185.46070 8.60498 2.65100 -186.78065 860.77706
3670.0000 -195.80149 -188.78132 7.02017 2.57962 -188.10586 803.69881
3675.0000 -195.66301 -187.17937 8.48364 2.62945 -187.18061 852.19402
3680.0000 -194.19283 -186.40455 7.78828 2.67122 -186.40523 852.50457
3685.0000 -194.49406 -185.47488 9.01918 2.65220 -186.75822 856.60848
3690.0000 -192.96952 -185.40019 7.56933 2.72003 -185.49905 882.36171
3695.0000 -192.34680 -183.63804 8.70876 2.77501 -184.47820 903.71095
3700.0000 -193.99392 -186.08219 7.91172 2.73402 -185.23929 900.06593
3705.0000 -196.19138 -187.15710 9.03428 2.65333 -186.73740 838.97363
3710.0000 -196.96964 -188.80295 8.16669 2.61591 -187.43205 831.97342
3715.0000 -197.48787 -188.15096 9.33691 2.55675 -188.53045 796.33012
3720.0000 -197.21533 -186.26817 10.94716 2.64140 -186.95879 837.85487
3725.0000 -195.22671 -185.24556 9.98115 2.69039 -186.04929 873.24897
3730.0000 -194.19141 -185.12239 9.06902 2.72523 -185.40239 876.96959
3735.0000 -194.76159 -185.26822 9.49337 2.71022 -185.68111 868.51175
3740.0000 -194.23398 -185.28751 8.94647 2.69749 -185.91753 851.47268
3745.0000 -193.93164 -185.00547 8.92617 2.75746 -184.80401 927.30579
3750.0000 -194.57002 -185.49782 9.07220 2.71489 -185.59436 873.78819
FREEZING PROCESS: loop number 16 T-loop= 828.00000000000000
main_MD> interactions number 16 at Temperature= 828.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07066 -0.88398 -1.12495
force_rgl> df(natom) 2.18473 -1.28685 1.86815
3755.0000 -193.92934 -184.48644 9.44291 2.73964 -185.13485 918.33506
3760.0000 -194.56778 -185.86636 8.70142 2.75683 -184.81579 903.70431
3765.0000 -192.79513 -183.81448 8.98065 2.72422 -185.42110 883.06531
3770.0000 -197.02315 -187.03238 9.99077 2.73421 -185.23572 889.71350
3775.0000 -195.46017 -187.62019 7.83998 2.64500 -186.89192 855.78802
3780.0000 -194.49587 -185.38472 9.11115 2.65276 -186.74798 810.00903
3785.0000 -195.39843 -187.10100 8.29742 2.65343 -186.73556 818.17114
3790.0000 -195.37080 -185.12377 10.24704 2.66319 -186.55431 862.79784
3795.0000 -196.11510 -187.38095 8.73415 2.63927 -186.99841 817.24969
3800.0000 -195.47721 -187.38026 8.09695 2.61747 -187.40317 835.83811
3805.0000 -194.45004 -185.72914 8.72090 2.65995 -186.61439 842.30510
3810.0000 -195.42370 -186.95748 8.46623 2.67440 -186.34606 835.64154
3815.0000 -195.01723 -185.22915 9.78808 2.72028 -185.49436 888.80330
3820.0000 -194.83471 -186.26073 8.57398 2.74281 -185.07606 901.35293
3825.0000 -197.13972 -190.08864 7.05109 2.58108 -188.07872 799.96910
3830.0000 -194.50753 -186.78492 7.72261 2.55792 -188.50879 804.89209
3835.0000 -196.06556 -187.77476 8.29080 2.62810 -187.20573 843.35466
3840.0000 -196.64800 -188.17931 8.46869 2.57362 -188.21729 785.92668
3845.0000 -196.46771 -188.44885 8.01886 2.58317 -188.03989 807.50310
3850.0000 -197.53212 -188.50320 9.02893 2.56912 -188.30081 798.41039
3855.0000 -196.93611 -187.91250 9.02361 2.55260 -188.60743 796.23761
3860.0000 -196.82447 -187.18721 9.63726 2.61817 -187.39010 837.37535
3865.0000 -196.19085 -189.08013 7.11072 2.58291 -188.04476 793.14903
3870.0000 -196.84509 -187.96017 8.88492 2.60710 -187.59569 817.34991
3875.0000 -196.46039 -187.83597 8.62442 2.65296 -186.74413 849.07699
3880.0000 -195.07385 -187.52216 7.55169 2.59586 -187.80443 782.62625
3885.0000 -194.70985 -187.38432 7.32553 2.61682 -187.41513 806.37331
3890.0000 -195.36629 -188.66109 6.70520 2.62033 -187.34993 822.08157
3895.0000 -196.41739 -188.40085 8.01654 2.51245 -189.35289 745.94358
3900.0000 -196.94342 -188.23286 8.71055 2.59549 -187.81123 813.16125
3905.0000 -195.25731 -186.89793 8.35939 2.64195 -186.94869 830.33285
3910.0000 -194.27633 -186.56661 7.70972 2.68137 -186.21680 859.58024
3915.0000 -195.03298 -186.83221 8.20077 2.65923 -186.62780 849.76342
3920.0000 -195.86041 -187.97859 7.88182 2.64341 -186.92156 819.38027
3925.0000 -195.60081 -186.98102 8.61979 2.61923 -187.37037 837.26832
3930.0000 -197.87054 -189.27473 8.59582 2.53341 -188.96375 769.55206
3935.0000 -194.99627 -185.47819 9.51808 2.62931 -187.18328 840.88423
3940.0000 -194.96374 -186.73292 8.23082 2.70862 -185.71085 874.28238
3945.0000 -197.15651 -189.78808 7.36844 2.53909 -188.85831 754.67228
3950.0000 -194.46254 -186.30456 8.15797 2.56224 -188.42856 760.04286
3955.0000 -195.51430 -188.05323 7.46107 2.64744 -186.84669 833.73186
3960.0000 -195.82367 -186.40237 9.42131 2.62472 -187.26858 818.37825
3965.0000 -195.13758 -188.21664 6.92095 2.66884 -186.44944 854.83348
3970.0000 -194.03271 -185.96222 8.07049 2.63602 -187.05874 833.66954
3975.0000 -195.14484 -186.53961 8.60523 2.69980 -185.87448 879.89668
3980.0000 -195.66958 -188.41991 7.24967 2.59937 -187.73914 811.76860
3985.0000 -195.05950 -185.77024 9.28926 2.65444 -186.71671 827.90377
3990.0000 -195.60539 -188.39609 7.20930 2.64350 -186.91983 814.98560
3995.0000 -197.13697 -188.40435 8.73261 2.53175 -188.99462 766.49138
4000.0000 -196.25275 -188.70922 7.54353 2.57187 -188.24981 783.61455
FREEZING PROCESS: loop number 17 T-loop= 803.00000000000000
main_MD> interactions number 17 at Temperature= 803.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38613 -3.40160 -0.75203
force_rgl> df(natom) -0.12373 1.93335 -0.39564
4005.0000 -195.64381 -186.91061 8.73320 2.59976 -187.73200 800.99929
4010.0000 -195.91511 -186.93651 8.97860 2.62693 -187.22757 829.51081
4015.0000 -196.01670 -188.27276 7.74394 2.62966 -187.17677 828.60631
4020.0000 -195.80331 -187.78157 8.02174 2.59054 -187.90311 791.94450
4025.0000 -197.75138 -189.50920 8.24218 2.53228 -188.98481 750.72845
4030.0000 -197.34773 -188.67019 8.67754 2.53777 -188.88283 791.08251
4035.0000 -194.69866 -185.39750 9.30116 2.64541 -186.88432 864.66494
4040.0000 -194.25764 -184.73536 9.52229 2.74688 -185.00036 899.64753
4045.0000 -196.49046 -188.41146 8.07899 2.69244 -186.01122 855.84277
4050.0000 -197.12030 -187.67622 9.44408 2.58799 -187.95054 787.55831
4055.0000 -196.28548 -186.49640 9.78907 2.60804 -187.57819 829.01658
4060.0000 -195.40556 -187.28191 8.12365 2.66854 -186.45491 859.98439
4065.0000 -196.96929 -189.73322 7.23608 2.54429 -188.76174 788.39850
4070.0000 -196.82590 -188.11372 8.71219 2.49607 -189.65714 751.52856
4075.0000 -197.02563 -188.83938 8.18625 2.56476 -188.38172 789.45225
4080.0000 -197.71365 -189.65249 8.06116 2.53341 -188.96380 752.73576
4085.0000 -197.28673 -189.34456 7.94217 2.51135 -189.37346 761.32562
4090.0000 -197.76615 -188.27647 9.48968 2.55370 -188.58704 786.75357
4095.0000 -197.04783 -189.43114 7.61669 2.49713 -189.63746 742.18134
4100.0000 -197.08199 -189.65033 7.43165 2.52328 -189.15194 771.99665
4105.0000 -197.64385 -189.18050 8.46335 2.54270 -188.79130 769.73676
4110.0000 -195.00015 -187.51833 7.48182 2.55012 -188.65366 789.29443
4115.0000 -195.59211 -188.11746 7.47465 2.63444 -187.08806 846.29644
4120.0000 -196.64298 -187.84450 8.79848 2.60231 -187.68461 802.86543
4125.0000 -195.52780 -187.11460 8.41320 2.61013 -187.53948 838.26294
4130.0000 -196.04344 -186.12773 9.91570 2.67543 -186.32695 845.41237
4135.0000 -194.93028 -185.94537 8.98491 2.66615 -186.49938 840.81789
4140.0000 -194.99280 -186.63090 8.36191 2.68399 -186.16814 852.08735
4145.0000 -196.17696 -188.52334 7.65362 2.60455 -187.64296 813.68694
4150.0000 -195.48069 -188.37191 7.10878 2.56631 -188.35303 788.67341
4155.0000 -196.49723 -187.40434 9.09289 2.60803 -187.57841 822.22655
4160.0000 -195.10187 -187.72723 7.37464 2.62624 -187.24027 820.63834
4165.0000 -197.46116 -189.51338 7.94777 2.55843 -188.49924 783.62551
4170.0000 -197.82420 -189.83235 7.99185 2.50676 -189.45869 771.42927
4175.0000 -196.19236 -189.07659 7.11577 2.50943 -189.40895 753.02812
4180.0000 -197.41076 -187.85365 9.55711 2.55744 -188.51766 766.86921
4185.0000 -196.20672 -188.76838 7.43833 2.54202 -188.80386 762.64553
4190.0000 -196.34000 -187.42188 8.91812 2.60816 -187.57594 806.69211
4195.0000 -195.76190 -187.25477 8.50713 2.62974 -187.17526 842.04775
4200.0000 -195.71800 -187.10803 8.60997 2.61770 -187.39882 842.83185
4205.0000 -196.01203 -188.01833 7.99371 2.62234 -187.31264 830.12119
4210.0000 -196.92509 -188.98666 7.93843 2.54851 -188.68354 770.18671
4215.0000 -195.91093 -187.66898 8.24196 2.55521 -188.55904 783.93248
4220.0000 -195.13741 -185.20823 9.92918 2.66892 -186.44780 852.51459
4225.0000 -195.24107 -187.70755 7.53351 2.66484 -186.52371 864.73113
4230.0000 -196.19399 -188.75544 7.43855 2.57816 -188.13292 790.96562
4235.0000 -195.47482 -186.92911 8.54571 2.57950 -188.10804 793.23269
4240.0000 -196.17612 -186.68932 9.48680 2.66953 -186.43656 860.80451
4245.0000 -194.67167 -187.21906 7.45261 2.59460 -187.82779 799.69619
4250.0000 -196.15068 -187.81085 8.33982 2.62445 -187.27350 820.98646
FREEZING PROCESS: loop number 18 T-loop= 778.00000000000000
main_MD> interactions number 18 at Temperature= 778.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.75176 2.71528 -1.22114
force_rgl> df(natom) -0.81539 1.59875 -1.02791
4255.0000 -195.49153 -186.92986 8.56166 2.61084 -187.52616 815.61853
4260.0000 -197.99685 -189.55327 8.44358 2.52229 -189.17025 775.16657
4265.0000 -195.23088 -187.51986 7.71102 2.58372 -188.02973 798.99797
4270.0000 -197.25349 -188.95462 8.29887 2.56691 -188.34177 791.02602
4275.0000 -195.89516 -189.10639 6.78877 2.55670 -188.53148 755.88259
4280.0000 -197.89804 -188.96027 8.93777 2.52846 -189.05568 775.90301
4285.0000 -196.86076 -189.81487 7.04588 2.48638 -189.83703 739.65223
4290.0000 -195.80276 -186.96707 8.83570 2.54472 -188.75374 786.17550
4295.0000 -196.75075 -187.87474 8.87601 2.61610 -187.42865 834.01289
4300.0000 -196.94307 -188.12142 8.82165 2.57601 -188.17280 776.17459
4305.0000 -195.57062 -187.74886 7.82176 2.56974 -188.28924 796.98552
4310.0000 -195.21626 -187.47010 7.74615 2.64898 -186.81801 844.45769
4315.0000 -198.03251 -189.58839 8.44412 2.52949 -189.03654 768.25207
4320.0000 -197.11723 -189.22575 7.89148 2.55825 -188.50253 766.69140
4325.0000 -196.20703 -188.02923 8.17780 2.60078 -187.71299 808.64670
4330.0000 -196.81774 -187.90177 8.91597 2.60737 -187.59067 817.06172
4335.0000 -195.45865 -188.39879 7.05986 2.58728 -187.96369 785.07659
4340.0000 -196.64181 -187.92343 8.71838 2.58203 -188.06105 777.99771
4345.0000 -194.74593 -187.02677 7.71916 2.59741 -187.77549 799.35978
4350.0000 -195.86203 -187.48463 8.37741 2.61258 -187.49386 798.62864
4355.0000 -196.48886 -187.43787 9.05099 2.60320 -187.66806 818.25506
4360.0000 -196.17769 -188.27013 7.90756 2.59814 -187.76200 784.17890
4365.0000 -197.01650 -188.30792 8.70857 2.60568 -187.62200 828.88690
4370.0000 -196.55938 -188.30117 8.25821 2.52634 -189.09511 769.49343
4375.0000 -196.70247 -188.52057 8.18190 2.54895 -188.67531 792.60894
4380.0000 -197.18889 -189.47699 7.71189 2.54073 -188.82783 797.69481
4385.0000 -196.24865 -188.29870 7.94995 2.53726 -188.89233 780.60983
4390.0000 -197.13759 -189.68242 7.45517 2.56782 -188.32502 778.16837
4395.0000 -197.49416 -189.86669 7.62747 2.53392 -188.95437 783.75783
4400.0000 -196.24029 -188.86428 7.37601 2.56863 -188.30983 778.96176
4405.0000 -197.75686 -189.66416 8.09270 2.54824 -188.68847 780.39472
4410.0000 -197.38654 -188.92923 8.45731 2.51174 -189.36606 741.81012
4415.0000 -195.64388 -186.86763 8.77625 2.58449 -188.01543 809.48755
4420.0000 -195.83930 -187.26119 8.57811 2.63475 -187.08222 828.71059
4425.0000 -195.07813 -186.44172 8.63641 2.64099 -186.96653 822.90214
4430.0000 -195.59646 -186.55407 9.04239 2.61112 -187.52098 812.51274
4435.0000 -197.15709 -189.88588 7.27121 2.56206 -188.43189 793.99302
4440.0000 -194.95291 -186.67482 8.27809 2.53707 -188.89587 781.30644
4445.0000 -195.85316 -188.26936 7.58380 2.59114 -187.89195 825.24984
4450.0000 -196.70621 -188.54523 8.16097 2.58115 -188.07750 813.47009
4455.0000 -195.71864 -187.70153 8.01711 2.59358 -187.84659 790.17754
4460.0000 -196.90440 -187.99395 8.91046 2.60601 -187.61587 804.35486
4465.0000 -197.07825 -188.92754 8.15071 2.55371 -188.58687 766.35352
4470.0000 -196.78394 -189.14388 7.64007 2.54397 -188.76770 789.13817
4475.0000 -195.15055 -187.32396 7.82659 2.57949 -188.10830 800.57779
4480.0000 -196.92397 -188.95085 7.97312 2.55225 -188.61399 781.76563
4485.0000 -194.75008 -186.11253 8.63755 2.60877 -187.56459 805.34270
4490.0000 -194.98817 -187.13920 7.84897 2.64102 -186.96584 843.06371
4495.0000 -196.39776 -189.17805 7.21971 2.58327 -188.03814 787.85464
4500.0000 -197.67907 -189.53264 8.14643 2.52073 -189.19928 777.32450
FREEZING PROCESS: loop number 19 T-loop= 753.00000000000000
main_MD> interactions number 19 at Temperature= 753.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.31592 -1.09337 3.33880
force_rgl> df(natom) -0.91119 0.75996 -1.39967
4505.0000 -196.20155 -187.65640 8.54515 2.53465 -188.94077 766.18362
4510.0000 -194.46769 -186.89019 7.57750 2.61484 -187.45196 822.85777
4515.0000 -195.92015 -186.99985 8.92031 2.64992 -186.80070 846.48223
4520.0000 -196.94366 -189.10667 7.83699 2.56126 -188.44683 783.42781
4525.0000 -197.62468 -189.97104 7.65364 2.48141 -189.92935 725.98797
4530.0000 -198.21776 -190.77618 7.44158 2.46564 -190.22210 713.23575
4535.0000 -199.23434 -191.67468 7.55966 2.40711 -191.30880 693.14764
4540.0000 -198.21561 -190.58442 7.63120 2.45755 -190.37227 732.12974
4545.0000 -197.09117 -190.44006 6.65111 2.43924 -190.71214 712.68454
4550.0000 -199.23725 -191.95748 7.27977 2.41616 -191.14076 699.26305
4555.0000 -197.10259 -188.69962 8.40297 2.48494 -189.86379 759.97239
4560.0000 -197.26718 -189.64604 7.62114 2.54235 -188.79789 787.46401
4565.0000 -196.91360 -189.35935 7.55425 2.54207 -188.80311 767.92013
4570.0000 -198.57664 -191.13536 7.44128 2.47600 -190.02971 745.41836
4575.0000 -196.76888 -189.69284 7.07604 2.44093 -190.68087 737.85533
4580.0000 -197.68191 -189.95198 7.72993 2.49365 -189.70196 779.13494
4585.0000 -198.70004 -190.93409 7.76595 2.42339 -191.00644 715.65084
4590.0000 -196.13921 -188.75523 7.38398 2.48457 -189.87051 741.79222
4595.0000 -196.97043 -188.82855 8.14188 2.54231 -188.79862 788.57783
4600.0000 -198.59913 -190.41278 8.18635 2.52432 -189.13253 737.84344
4605.0000 -196.65226 -189.58090 7.07135 2.48910 -189.78647 742.54501
4610.0000 -198.79965 -190.59876 8.20089 2.47886 -189.97662 728.50579
4615.0000 -197.82853 -189.55001 8.27852 2.45574 -190.40588 714.48630
4620.0000 -197.10068 -188.81743 8.28324 2.49310 -189.71229 746.03404
4625.0000 -195.78910 -187.24997 8.53914 2.57882 -188.12067 811.58691
4630.0000 -197.03030 -187.65556 9.37473 2.61284 -187.48915 803.09792
4635.0000 -194.67492 -185.95486 8.72005 2.63398 -187.09656 840.91341
4640.0000 -198.02341 -190.44944 7.57397 2.54634 -188.72380 790.40994
4645.0000 -195.45395 -188.35168 7.10226 2.55204 -188.61784 792.31951
4650.0000 -195.73931 -186.30240 9.43691 2.62175 -187.32358 805.39908
4655.0000 -196.14474 -187.21737 8.92737 2.71121 -185.66270 897.62293
4660.0000 -197.04766 -188.48052 8.56714 2.55354 -188.59015 781.70409
4665.0000 -197.71015 -188.22874 9.48141 2.53681 -188.90073 758.55276
4670.0000 -197.43692 -188.52251 8.91441 2.61142 -187.51554 804.57912
4675.0000 -198.09626 -191.82260 6.27366 2.46536 -190.22722 744.35320
4680.0000 -197.17282 -189.63751 7.53531 2.40497 -191.34846 693.72167
4685.0000 -198.19814 -191.20750 6.99064 2.42611 -190.95597 708.14183
4690.0000 -197.70635 -189.74649 7.95986 2.41387 -191.18329 686.42249
4695.0000 -196.54777 -188.13871 8.40906 2.53830 -188.87300 772.61874
4700.0000 -196.24869 -187.95744 8.29125 2.62064 -187.34431 838.54253
4705.0000 -195.61358 -187.46692 8.14667 2.59372 -187.84416 804.31946
4710.0000 -195.60860 -188.25336 7.35524 2.59052 -187.90356 790.94712
4715.0000 -196.64822 -189.11362 7.53460 2.51291 -189.34440 724.19706
4720.0000 -196.79274 -188.57427 8.21848 2.51208 -189.35976 732.91399
4725.0000 -196.15453 -189.73354 6.42098 2.57151 -188.25650 818.59347
4730.0000 -196.56801 -189.47349 7.09453 2.49501 -189.67685 745.78490
4735.0000 -195.84015 -188.18271 7.65744 2.52664 -189.08957 749.50161
4740.0000 -196.94796 -189.39613 7.55183 2.55546 -188.55433 767.64068
4745.0000 -196.62578 -188.86369 7.76209 2.51209 -189.35961 740.47025
4750.0000 -197.69094 -189.74672 7.94421 2.49630 -189.65288 747.83670
FREEZING PROCESS: loop number 20 T-loop= 728.00000000000000
main_MD> interactions number 20 at Temperature= 728.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.12864 3.31136 -1.55622
force_rgl> df(natom) 0.36368 -3.65069 1.89810
4755.0000 -197.92860 -191.25220 6.67640 2.43854 -190.72517 721.91218
4760.0000 -198.08753 -191.09261 6.99491 2.41053 -191.24519 688.40037
4765.0000 -199.40978 -191.87420 7.53558 2.41195 -191.21891 682.14774
4770.0000 -198.60863 -191.61934 6.98929 2.34187 -192.51998 653.61270
4775.0000 -196.82288 -190.47043 6.35245 2.48264 -189.90639 723.47383
4780.0000 -198.18369 -189.67318 8.51051 2.43876 -190.72112 700.08561
4785.0000 -196.29192 -188.73405 7.55786 2.53685 -188.89996 774.96725
4790.0000 -196.56060 -189.99944 6.56116 2.50575 -189.47730 737.12709
4795.0000 -198.42671 -190.38433 8.04238 2.48914 -189.78568 712.52967
4800.0000 -197.80579 -189.50543 8.30036 2.47531 -190.04249 753.38010
4805.0000 -196.70111 -190.01322 6.68789 2.49314 -189.71152 754.21612
4810.0000 -197.66702 -190.93780 6.72922 2.45141 -190.48634 713.95294
4815.0000 -198.22819 -190.84371 7.38448 2.45953 -190.33541 732.64862
4820.0000 -197.82398 -189.46567 8.35831 2.45825 -190.35922 751.95578
4825.0000 -198.73371 -190.38498 8.34873 2.46840 -190.17077 765.41259
4830.0000 -198.12506 -191.24122 6.88384 2.42436 -190.98841 712.01321
4835.0000 -196.99936 -189.80541 7.19395 2.41014 -191.25251 683.97548
4840.0000 -197.71287 -189.59827 8.11460 2.48342 -189.89203 729.10806
4845.0000 -197.08220 -189.98444 7.09776 2.46616 -190.21233 735.65011
4850.0000 -197.66606 -190.20178 7.46428 2.51792 -189.25136 747.11602
4855.0000 -198.38745 -190.03743 8.35002 2.42752 -190.92972 706.17635
4860.0000 -196.87037 -190.01822 6.85214 2.49942 -189.59494 764.96967
4865.0000 -197.59502 -191.34970 6.24532 2.43839 -190.72802 717.24738
4870.0000 -198.05841 -191.24278 6.81564 2.43799 -190.73540 706.75424
4875.0000 -198.39929 -191.98871 6.41058 2.40287 -191.38740 677.08467
4880.0000 -198.39079 -190.61761 7.77318 2.40957 -191.26306 682.38972
4885.0000 -198.03334 -189.97323 8.06011 2.47927 -189.96897 733.70622
4890.0000 -197.82561 -189.52788 8.29774 2.50154 -189.55549 732.68937
4895.0000 -198.33580 -191.26732 7.06848 2.47010 -190.13920 728.33127
4900.0000 -196.42967 -189.50078 6.92889 2.48465 -189.86919 722.55324
4905.0000 -196.33352 -188.68093 7.65259 2.54066 -188.82921 765.51871
4910.0000 -198.06063 -190.40442 7.65622 2.47476 -190.05276 738.53381
4915.0000 -198.64218 -190.65686 7.98532 2.43479 -190.79481 710.46497
4920.0000 -198.46383 -191.57398 6.88985 2.40494 -191.34895 690.47040
4925.0000 -198.73218 -190.87051 7.86167 2.40121 -191.41836 690.95972
4930.0000 -198.42644 -191.38702 7.03942 2.40237 -191.39683 682.89395
4935.0000 -198.90874 -191.17614 7.73260 2.39101 -191.60774 673.66154
4940.0000 -198.20410 -190.91675 7.28734 2.43612 -190.77016 692.54729
4945.0000 -199.23643 -192.86151 6.37492 2.38346 -191.74781 663.43797
4950.0000 -198.94768 -192.27345 6.67423 2.34831 -192.40037 646.32425
4955.0000 -196.96614 -189.51916 7.44698 2.43449 -190.80048 703.10124
4960.0000 -198.46224 -191.03562 7.42663 2.45730 -190.37690 705.29998
4965.0000 -198.69102 -191.76350 6.92752 2.41037 -191.24813 690.75936
4970.0000 -197.86863 -190.98446 6.88417 2.38915 -191.64225 686.80993
4975.0000 -199.04408 -191.29460 7.74948 2.42029 -191.06395 684.35594
4980.0000 -198.97300 -192.02408 6.94893 2.39859 -191.46700 691.26102
4985.0000 -199.75984 -192.48439 7.27545 2.38620 -191.69689 673.12120
4990.0000 -198.65283 -191.20188 7.45095 2.41097 -191.23705 693.87601
4995.0000 -199.22044 -191.39665 7.82379 2.38517 -191.71604 707.80613
5000.0000 -198.51210 -191.12903 7.38307 2.41145 -191.22820 711.25868
FREEZING PROCESS: loop number 21 T-loop= 703.00000000000000
main_MD> interactions number 21 at Temperature= 703.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91855 0.37732 1.42638
force_rgl> df(natom) -0.00167 2.37576 -1.35866
5005.0000 -198.23854 -191.79200 6.44655 2.38986 -191.62892 692.20230
5010.0000 -198.56854 -192.03016 6.53839 2.37032 -191.99177 653.27813
5015.0000 -198.18079 -190.59034 7.59045 2.42782 -190.92422 698.27606
5020.0000 -198.98667 -191.30284 7.68383 2.38400 -191.73772 689.08184
5025.0000 -200.66021 -193.07940 7.58081 2.33285 -192.68746 647.17373
5030.0000 -197.97960 -191.32377 6.65583 2.35151 -192.34100 673.67407
5035.0000 -198.23693 -191.81245 6.42448 2.39684 -191.49936 693.30633
5040.0000 -196.66144 -189.83115 6.83029 2.41551 -191.15287 689.21184
5045.0000 -198.42737 -191.18262 7.24476 2.44591 -190.58840 705.65839
5050.0000 -197.52052 -189.86434 7.65618 2.43531 -190.78518 710.32537
5055.0000 -198.29973 -191.49076 6.80896 2.44392 -190.62523 712.39782
5060.0000 -198.74015 -191.26586 7.47429 2.38581 -191.70420 655.94277
5065.0000 -197.41315 -190.98879 6.42437 2.43647 -190.76372 724.27615
5070.0000 -197.54016 -191.03399 6.50617 2.42152 -191.04124 661.63472
5075.0000 -199.46583 -192.25421 7.21163 2.40965 -191.26163 697.99941
5080.0000 -197.92882 -191.18933 6.73949 2.35697 -192.23968 654.07278
5085.0000 -197.91705 -190.15602 7.76103 2.47125 -190.11791 720.24486
5090.0000 -196.66862 -188.87921 7.78941 2.54000 -188.84139 764.31885
5095.0000 -196.68869 -188.00456 8.68413 2.53494 -188.93533 765.52712
5100.0000 -197.33146 -188.16763 9.16382 2.54639 -188.72287 771.93737
5105.0000 -197.47378 -190.17658 7.29721 2.48879 -189.79221 746.22027
5110.0000 -197.63815 -190.77225 6.86590 2.44574 -190.59155 697.84283
5115.0000 -197.61791 -189.84392 7.77400 2.45859 -190.35294 708.12563
5120.0000 -196.95466 -189.11486 7.83980 2.47722 -190.00706 735.43866
5125.0000 -197.36209 -190.87656 6.48553 2.44824 -190.54504 700.11505
5130.0000 -198.02766 -189.38779 8.63986 2.47074 -190.12734 738.88912
5135.0000 -199.34202 -192.56060 6.78142 2.41227 -191.21286 716.34638
5140.0000 -199.20283 -192.22747 6.97536 2.33598 -192.62938 636.86036
5145.0000 -199.14385 -192.59201 6.55184 2.32111 -192.90543 623.30667
5150.0000 -198.91125 -191.79699 7.11425 2.37993 -191.81337 675.36397
5155.0000 -198.14439 -190.52286 7.62154 2.44579 -190.59055 724.78044
5160.0000 -197.69057 -190.78626 6.90431 2.42711 -190.93745 719.57506
5165.0000 -196.39551 -188.22903 8.16647 2.47531 -190.04246 727.84265
5170.0000 -197.57602 -190.80135 6.77467 2.52045 -189.20435 749.74322
5175.0000 -196.52249 -190.04706 6.47543 2.45367 -190.44422 719.74037
5180.0000 -198.90732 -191.06447 7.84286 2.45875 -190.35001 739.23681
5185.0000 -198.67023 -192.32181 6.34842 2.38285 -191.75908 680.57616
5190.0000 -198.68968 -192.01333 6.67635 2.34215 -192.51483 649.17262
5195.0000 -199.25326 -192.06305 7.19022 2.39987 -191.44325 688.47500
5200.0000 -198.44100 -191.48706 6.95394 2.41131 -191.23076 709.97352
5205.0000 -199.11142 -191.39544 7.71599 2.42163 -191.03910 699.18783
5210.0000 -199.35217 -191.79994 7.55223 2.38115 -191.79070 677.74495
5215.0000 -198.49827 -191.41817 7.08010 2.41141 -191.22889 712.86771
5220.0000 -198.36345 -190.76457 7.59888 2.41443 -191.17282 713.66866
5225.0000 -198.00455 -190.99422 7.01033 2.41386 -191.18335 723.30137
5230.0000 -196.68449 -190.00851 6.67598 2.45527 -190.41465 743.23831
5235.0000 -198.51568 -191.19627 7.31941 2.46588 -190.21754 709.81326
5240.0000 -200.06680 -192.67942 7.38738 2.37251 -191.95107 682.93642
5245.0000 -200.20942 -193.86824 6.34118 2.28990 -193.48487 620.79161
5250.0000 -199.50140 -192.46730 7.03410 2.33812 -192.58969 635.88838
FREEZING PROCESS: loop number 22 T-loop= 678.00000000000000
main_MD> interactions number 22 at Temperature= 678.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45159 -1.40915 0.87305
force_rgl> df(natom) -1.97524 1.15835 0.25297
5255.0000 -198.00748 -190.93023 7.07725 2.37906 -191.82945 676.01235
5260.0000 -199.68029 -193.43800 6.24230 2.37784 -191.85211 684.47766
5265.0000 -200.33949 -194.11601 6.22348 2.29998 -193.29773 604.62861
5270.0000 -199.06138 -192.82178 6.23960 2.28090 -193.65192 596.35046
5275.0000 -198.68500 -192.22082 6.46418 2.34867 -192.39369 661.42426
5280.0000 -199.65832 -192.57125 7.08707 2.33840 -192.58444 663.54611
5285.0000 -200.30429 -193.08262 7.22167 2.30702 -193.16710 632.92717
5290.0000 -198.30698 -192.12497 6.18201 2.35185 -192.33476 673.26155
5295.0000 -198.69625 -192.04485 6.65141 2.34321 -192.49515 630.56982
5300.0000 -198.94213 -192.53934 6.40279 2.37558 -191.89414 660.72814
5305.0000 -199.07130 -192.37009 6.70121 2.36369 -192.11486 669.12403
5310.0000 -198.39615 -192.36488 6.03127 2.38054 -191.80212 659.31773
5315.0000 -198.28080 -192.45090 5.82990 2.32336 -192.86373 616.92565
5320.0000 -199.67922 -192.39816 7.28105 2.37304 -191.94133 643.16057
5325.0000 -197.67656 -190.49373 7.18282 2.40647 -191.32069 685.40949
5330.0000 -197.01500 -188.61326 8.40174 2.50499 -189.49155 782.92506
5335.0000 -198.34365 -192.46089 5.88276 2.42270 -191.01933 694.16148
5340.0000 -197.89957 -189.30996 8.58960 2.45279 -190.46071 745.17604
5345.0000 -197.45780 -189.15913 8.29867 2.50278 -189.53250 763.77213
5350.0000 -198.72814 -191.24239 7.48575 2.46988 -190.14334 718.63312
5355.0000 -198.49445 -191.03650 7.45795 2.40240 -191.39613 711.52277
5360.0000 -198.89129 -191.16480 7.72649 2.41233 -191.21190 686.53358
5365.0000 -198.63757 -190.88200 7.75558 2.41191 -191.21964 673.16161
5370.0000 -198.58317 -191.64146 6.94171 2.43301 -190.82790 703.93753
5375.0000 -197.88669 -191.33594 6.55076 2.36873 -192.02140 664.25524
5380.0000 -197.57115 -189.81879 7.75236 2.44300 -190.64235 732.14456
5385.0000 -197.88365 -190.93655 6.94710 2.43771 -190.74061 690.99206
5390.0000 -197.74794 -190.93502 6.81292 2.41651 -191.13413 697.21003
5395.0000 -198.59932 -191.14251 7.45681 2.44224 -190.65648 711.54763
5400.0000 -198.06003 -191.30152 6.75851 2.42984 -190.88664 710.38064
5405.0000 -198.13428 -190.29106 7.84323 2.44765 -190.55608 705.66450
5410.0000 -197.09067 -189.79412 7.29654 2.46209 -190.28797 732.28396
5415.0000 -197.05260 -189.16550 7.88710 2.52680 -189.08655 779.91446
5420.0000 -197.75729 -191.30339 6.45390 2.46017 -190.32356 736.26697
5425.0000 -198.03752 -192.56143 5.47609 2.40325 -191.38042 675.19927
5430.0000 -198.61976 -192.06545 6.55431 2.34057 -192.54409 637.10074
5435.0000 -199.25941 -191.06905 8.19036 2.37322 -191.93797 676.88381
5440.0000 -199.63836 -191.27628 8.36209 2.40737 -191.30398 669.17172
5445.0000 -197.71818 -190.12530 7.59289 2.39802 -191.47750 683.60592
5450.0000 -198.24349 -191.68811 6.55539 2.47110 -190.12074 725.16314
5455.0000 -198.70930 -192.00900 6.70030 2.38466 -191.72553 649.67272
5460.0000 -199.90369 -192.64185 7.26184 2.31219 -193.07109 616.10886
5465.0000 -199.44192 -193.43694 6.00497 2.33566 -192.63526 641.70920
5470.0000 -199.78895 -193.16567 6.62328 2.30358 -193.23094 626.33031
5475.0000 -198.95781 -191.91146 7.04635 2.38910 -191.64312 691.36779
5480.0000 -198.81783 -190.99383 7.82400 2.39383 -191.55536 679.70211
5485.0000 -197.62977 -190.52602 7.10375 2.44737 -190.56121 702.21066
5490.0000 -199.93909 -193.03432 6.90477 2.38552 -191.70964 675.04367
5495.0000 -197.43874 -191.08882 6.34991 2.39895 -191.46020 675.08296
5500.0000 -197.19365 -190.11728 7.07637 2.47777 -189.99680 706.64735
FREEZING PROCESS: loop number 23 T-loop= 653.00000000000000
main_MD> interactions number 23 at Temperature= 653.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84204 0.51010 -0.16553
force_rgl> df(natom) 0.59023 -1.18358 -1.10462
5505.0000 -198.23303 -191.53125 6.70177 2.41835 -191.10000 683.74166
5510.0000 -197.79662 -190.29784 7.49879 2.46794 -190.17929 715.38894
5515.0000 -198.37963 -190.61499 7.76464 2.46133 -190.30207 711.54498
5520.0000 -199.45252 -192.22642 7.22610 2.37555 -191.89464 666.13113
5525.0000 -198.10869 -191.68874 6.41995 2.38263 -191.76331 677.99953
5530.0000 -199.36500 -192.70035 6.66464 2.35000 -192.36912 680.59088
5535.0000 -199.05205 -191.31782 7.73423 2.34563 -192.45016 659.99574
5540.0000 -199.37130 -193.41896 5.95234 2.37200 -191.96055 666.77355
5545.0000 -199.69794 -193.52106 6.17688 2.29426 -193.40401 626.75748
5550.0000 -200.25925 -193.63230 6.62695 2.27324 -193.79431 641.90654
5555.0000 -199.81738 -192.99136 6.82601 2.30941 -193.12276 660.10577
5560.0000 -198.51236 -192.22697 6.28539 2.33150 -192.71262 645.43909
5565.0000 -199.64256 -193.99353 5.64903 2.34352 -192.48939 659.35126
5570.0000 -200.67128 -193.81606 6.85522 2.27356 -193.78819 604.54919
5575.0000 -198.42951 -192.81718 5.61233 2.31387 -193.03989 613.48350
5580.0000 -199.10763 -192.70705 6.40058 2.32263 -192.87718 622.29751
5585.0000 -198.58790 -192.57561 6.01229 2.33284 -192.68764 639.88341
5590.0000 -200.20368 -192.92546 7.27823 2.36616 -192.06912 647.82934
5595.0000 -199.21584 -192.89213 6.32371 2.30939 -193.12297 632.00425
5600.0000 -198.86896 -191.74562 7.12334 2.36938 -192.00933 655.42968
5605.0000 -199.11708 -192.35612 6.76097 2.37638 -191.87925 678.14661
5610.0000 -199.12023 -193.25064 5.86959 2.33748 -192.60154 631.29773
5615.0000 -199.57864 -193.20525 6.37339 2.33289 -192.68680 640.26171
5620.0000 -199.66892 -193.87030 5.79862 2.28709 -193.53711 603.80963
5625.0000 -198.67111 -192.48841 6.18270 2.25603 -194.11375 580.74676
5630.0000 -198.91562 -191.86604 7.04958 2.36590 -192.07394 654.19403
5635.0000 -199.26802 -192.53518 6.73284 2.33662 -192.61743 624.38223
5640.0000 -197.69246 -190.47565 7.21681 2.39356 -191.56029 660.66057
5645.0000 -197.09825 -190.59891 6.49934 2.44906 -190.52988 706.23208
5650.0000 -198.39724 -192.29942 6.09782 2.38775 -191.66822 670.28765
5655.0000 -199.56100 -192.71948 6.84152 2.35192 -192.33348 650.76258
5660.0000 -199.82228 -192.76983 7.05245 2.33367 -192.67234 642.93850
5665.0000 -198.79964 -191.53879 7.26085 2.35468 -192.28223 638.76197
5670.0000 -199.22957 -192.14532 7.08425 2.35804 -192.21983 668.27635
5675.0000 -199.21793 -192.29583 6.92210 2.35162 -192.33899 658.96651
5680.0000 -199.19323 -192.96997 6.22326 2.36008 -192.18199 683.66228
5685.0000 -200.71975 -194.04348 6.67627 2.29769 -193.34036 599.77895
5690.0000 -198.77336 -192.31927 6.45409 2.33527 -192.64258 650.91945
5695.0000 -199.49139 -193.79322 5.69816 2.30777 -193.15311 611.54660
5700.0000 -197.76987 -191.10139 6.66849 2.37902 -191.83030 661.87190
5705.0000 -198.25941 -191.73045 6.52896 2.37422 -191.91943 671.46788
5710.0000 -199.48278 -191.99731 7.48547 2.38589 -191.70263 657.61352
5715.0000 -199.12198 -192.55868 6.56331 2.33340 -192.67732 653.08435
5720.0000 -200.58398 -193.51191 7.07207 2.30892 -193.13181 632.87121
5725.0000 -200.02769 -193.99661 6.03108 2.26560 -193.93605 594.21219
5730.0000 -199.35959 -192.81870 6.54089 2.28819 -193.51657 625.36872
5735.0000 -197.99251 -190.14372 7.84879 2.40275 -191.38970 677.10882
5740.0000 -197.03651 -190.77957 6.25693 2.43222 -190.84259 687.97642
5745.0000 -197.47831 -190.92909 6.54921 2.42082 -191.05428 697.11211
5750.0000 -198.26451 -190.62062 7.64389 2.45051 -190.50291 706.17065
FREEZING PROCESS: loop number 24 T-loop= 628.00000000000000
main_MD> interactions number 24 at Temperature= 628.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14916 1.97999 1.57307
force_rgl> df(natom) 1.16893 0.47065 -4.36842
5755.0000 -198.78945 -191.60851 7.18094 2.38792 -191.66502 672.67629
5760.0000 -199.39718 -193.47496 5.92222 2.36189 -192.14840 655.01602
5765.0000 -199.72806 -193.41824 6.30982 2.27536 -193.75485 609.61597
5770.0000 -199.01491 -192.87609 6.13882 2.29468 -193.39611 612.00864
5775.0000 -197.62861 -190.78227 6.84634 2.37728 -191.86265 645.59191
5780.0000 -199.66494 -192.78005 6.88489 2.34988 -192.37134 660.53062
5785.0000 -199.87677 -192.86516 7.01161 2.34648 -192.43449 641.21113
5790.0000 -199.68619 -192.61299 7.07319 2.32393 -192.85303 637.66231
5795.0000 -199.24341 -192.58797 6.65544 2.33943 -192.56522 642.39410
5800.0000 -200.49233 -193.89324 6.59910 2.28208 -193.63011 616.44126
5805.0000 -198.55715 -193.09654 5.46061 2.28444 -193.58634 601.90094
5810.0000 -198.72531 -191.30863 7.41668 2.37833 -191.84299 662.87227
5815.0000 -199.05953 -192.79067 6.26886 2.33293 -192.68602 647.89384
5820.0000 -199.71357 -192.64244 7.07113 2.35827 -192.21551 659.37424
5825.0000 -196.77677 -189.64143 7.13534 2.39858 -191.46704 685.56331
5830.0000 -197.95584 -190.91385 7.04199 2.43677 -190.75811 708.52528
5835.0000 -198.42347 -190.84683 7.57665 2.44364 -190.63053 695.22905
5840.0000 -198.98980 -192.96952 6.02028 2.36350 -192.11836 663.51811
5845.0000 -198.40081 -191.83176 6.56905 2.34897 -192.38824 641.40670
5850.0000 -200.20753 -193.85240 6.35513 2.35471 -192.28162 653.55781
5855.0000 -199.95996 -193.67181 6.28815 2.27747 -193.71569 599.26355
5860.0000 -198.30084 -191.72304 6.57780 2.37571 -191.89177 670.69027
5865.0000 -198.78085 -192.39494 6.38591 2.37114 -191.97652 672.49973
5870.0000 -200.97283 -194.32230 6.65053 2.30730 -193.16177 627.80099
5875.0000 -199.81545 -194.02067 5.79479 2.22024 -194.77832 580.48050
5880.0000 -199.73226 -193.34618 6.38609 2.28381 -193.59797 610.93261
5885.0000 -200.04384 -192.98525 7.05859 2.29309 -193.42577 618.40943
5890.0000 -199.99227 -193.94098 6.05129 2.35771 -192.22585 670.58113
5895.0000 -198.80678 -193.45451 5.35226 2.29068 -193.47047 610.97150
5900.0000 -199.22225 -193.31617 5.90609 2.28816 -193.51719 605.38285
5905.0000 -199.94489 -193.76278 6.18212 2.31607 -192.99894 633.37236
5910.0000 -199.07975 -192.55187 6.52789 2.27988 -193.67095 604.62452
5915.0000 -200.31225 -194.54523 5.76702 2.27635 -193.73656 583.42778
5920.0000 -199.53531 -194.39445 5.14085 2.26666 -193.91648 594.41773
5925.0000 -201.04445 -194.11528 6.92917 2.25860 -194.06612 585.44149
5930.0000 -200.47298 -193.37245 7.10053 2.27834 -193.69952 633.35062
5935.0000 -199.45698 -192.51144 6.94554 2.30457 -193.21253 614.49658
5940.0000 -200.33249 -193.17575 7.15674 2.32393 -192.85311 645.90144
5945.0000 -198.07542 -191.43880 6.63662 2.32939 -192.75170 647.56971
5950.0000 -197.94619 -192.12579 5.82040 2.37222 -191.95660 670.67628
5955.0000 -199.18521 -193.17546 6.00975 2.33761 -192.59909 635.66583
5960.0000 -200.47068 -194.57945 5.89123 2.29685 -193.35581 596.16244
5965.0000 -200.05413 -193.69873 6.35541 2.24655 -194.28971 574.38978
5970.0000 -199.07023 -192.32406 6.74618 2.34631 -192.43765 638.38040
5975.0000 -198.68607 -192.78627 5.89979 2.36251 -192.13686 677.87148
5980.0000 -200.02516 -193.25445 6.77071 2.30356 -193.23126 631.92001
5985.0000 -200.36893 -193.35241 7.01652 2.32939 -192.75164 647.71748
5990.0000 -200.94345 -193.64383 7.29962 2.29856 -193.32404 628.77027
5995.0000 -200.39228 -194.00854 6.38374 2.30173 -193.26519 646.30479
6000.0000 -200.64977 -194.33121 6.31855 2.29636 -193.36499 634.63483
FREEZING PROCESS: loop number 25 T-loop= 603.00000000000000
main_MD> interactions number 25 at Temperature= 603.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.15632 1.70215 -0.45323
force_rgl> df(natom) -2.51882 3.27249 -1.08781
6005.0000 -199.89153 -193.79452 6.09701 2.24364 -194.34386 578.97559
6010.0000 -199.77563 -191.95949 7.81614 2.34763 -192.41300 641.62252
6015.0000 -199.01479 -193.46710 5.54769 2.31612 -192.99807 643.57863
6020.0000 -200.92640 -195.17487 5.75153 2.27518 -193.75823 624.08335
6025.0000 -200.41646 -194.49022 5.92624 2.22314 -194.72448 588.07101
6030.0000 -202.02936 -195.49230 6.53706 2.22091 -194.76575 608.16401
6035.0000 -201.75867 -195.95243 5.80624 2.15918 -195.91185 554.70872
6040.0000 -200.69295 -194.79498 5.89796 2.18283 -195.47281 566.89987
6045.0000 -200.64992 -194.57698 6.07294 2.21096 -194.95044 608.23051
6050.0000 -200.69176 -194.32586 6.36590 2.23606 -194.48455 627.79488
6055.0000 -200.70497 -194.76842 5.93655 2.20870 -194.99244 587.98574
6060.0000 -200.80209 -195.32596 5.47612 2.20293 -195.09964 550.84301
6065.0000 -201.46705 -194.86601 6.60104 2.22351 -194.71760 567.92788
6070.0000 -200.54768 -194.47467 6.07300 2.24244 -194.36612 591.73590
6075.0000 -199.25564 -192.79991 6.45573 2.28603 -193.55678 615.23486
6080.0000 -200.63708 -194.76157 5.87551 2.25760 -194.08467 614.80709
6085.0000 -199.96788 -194.01289 5.95499 2.24696 -194.28211 589.54252
6090.0000 -199.57782 -193.54918 6.02864 2.29146 -193.45591 612.66728
6095.0000 -199.08176 -192.30470 6.77706 2.35716 -192.23620 654.33846
6100.0000 -199.84923 -193.14383 6.70540 2.30697 -193.16797 603.71500
6105.0000 -200.13845 -194.12797 6.01048 2.29306 -193.42621 610.39048
6110.0000 -200.06385 -193.62808 6.43576 2.29528 -193.38495 624.37211
6115.0000 -199.03857 -192.77895 6.25962 2.28921 -193.49766 611.36821
6120.0000 -200.58835 -193.68815 6.90019 2.28789 -193.52222 622.20694
6125.0000 -200.34245 -194.51375 5.82870 2.29183 -193.44901 625.44517
6130.0000 -199.66076 -193.70833 5.95244 2.24158 -194.38195 583.88834
6135.0000 -201.59214 -195.68754 5.90459 2.24370 -194.34258 573.80192
6140.0000 -200.98527 -195.26980 5.71547 2.18343 -195.46173 550.56405
6145.0000 -200.85939 -194.99791 5.86148 2.19345 -195.27571 549.23854
6150.0000 -201.04671 -195.28465 5.76206 2.20492 -195.06276 556.69069
6155.0000 -200.37327 -194.08116 6.29211 2.24805 -194.26185 587.70935
6160.0000 -199.90774 -193.75113 6.15661 2.25970 -194.04559 604.13986
6165.0000 -200.34485 -193.86773 6.47712 2.26253 -193.99301 590.38906
6170.0000 -201.40113 -195.24797 6.15316 2.21028 -194.96323 545.31291
6175.0000 -201.00244 -196.04535 4.95708 2.18183 -195.49146 525.49395
6180.0000 -199.70823 -194.45571 5.25253 2.21109 -194.94808 554.34174
6185.0000 -200.24171 -193.45707 6.78464 2.26394 -193.96695 586.51663
6190.0000 -199.99292 -194.42504 5.56788 2.24775 -194.26751 580.15568
6195.0000 -201.66904 -196.30980 5.35923 2.17057 -195.70043 539.09940
6200.0000 -200.90699 -195.45467 5.45231 2.17546 -195.60968 549.72120
6205.0000 -201.82526 -195.65619 6.16907 2.18892 -195.35977 546.56956
6210.0000 -199.86616 -194.41672 5.44944 2.20008 -195.15257 551.15807
6215.0000 -199.68607 -193.60503 6.08104 2.25729 -194.09032 613.30942
6220.0000 -200.58725 -194.59677 5.99048 2.24152 -194.38318 602.10688
6225.0000 -200.66914 -194.62406 6.04508 2.20298 -195.09876 569.13916
6230.0000 -199.67744 -194.27914 5.39830 2.23059 -194.58615 584.08941
6235.0000 -200.30729 -194.36585 5.94144 2.27155 -193.82558 614.23791
6240.0000 -200.76524 -194.67305 6.09219 2.24247 -194.36544 599.53680
6245.0000 -201.01046 -195.79904 5.21142 2.19236 -195.29578 558.63834
6250.0000 -201.04052 -195.52339 5.51713 2.19375 -195.27014 566.49938
FREEZING PROCESS: loop number 26 T-loop= 578.00000000000000
main_MD> interactions number 26 at Temperature= 578.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80355 -2.63703 -0.22950
force_rgl> df(natom) 2.37466 -0.13941 0.88637
6255.0000 -200.89766 -196.27483 4.62283 2.14981 -196.08589 516.33623
6260.0000 -201.30663 -195.07436 6.23227 2.19387 -195.26785 560.74309
6265.0000 -201.18651 -195.93516 5.25135 2.19844 -195.18295 563.52626
6270.0000 -202.43030 -195.80524 6.62506 2.13635 -196.33585 520.69451
6275.0000 -201.31297 -195.54620 5.76677 2.16482 -195.80722 540.85220
6280.0000 -200.10903 -194.69950 5.40953 2.18116 -195.50372 560.11931
6285.0000 -200.63182 -194.18591 6.44591 2.25022 -194.22158 587.79467
6290.0000 -199.36936 -192.16523 7.20413 2.29115 -193.46177 637.47386
6295.0000 -200.48835 -193.77377 6.71458 2.30984 -193.11475 634.45068
6300.0000 -199.63627 -192.92400 6.71227 2.30261 -193.24897 614.88708
6305.0000 -198.84369 -192.85737 5.98632 2.30310 -193.23980 600.06178
6310.0000 -199.34208 -193.19250 6.14957 2.32360 -192.85923 614.50053
6315.0000 -199.07634 -192.16864 6.90771 2.34606 -192.44226 629.06928
6320.0000 -200.11018 -193.81289 6.29729 2.32074 -192.91223 605.00741
6325.0000 -200.87677 -195.03946 5.83731 2.24450 -194.32778 581.13348
6330.0000 -201.07636 -195.24466 5.83169 2.20327 -195.09335 545.22125
6335.0000 -201.44320 -195.01306 6.43014 2.18637 -195.40706 559.45053
6340.0000 -201.40585 -196.38981 5.01604 2.21235 -194.92472 587.18740
6345.0000 -201.30692 -195.77010 5.53682 2.14476 -196.17960 549.97043
6350.0000 -201.44890 -195.19063 6.25827 2.18824 -195.37238 577.38132
6355.0000 -200.84340 -195.03345 5.80995 2.20036 -195.14731 585.95107
6360.0000 -200.28592 -193.56089 6.72503 2.26891 -193.87457 631.60620
6365.0000 -200.86090 -194.56765 6.29325 2.24750 -194.27210 618.48339
6370.0000 -200.08614 -194.52205 5.56409 2.23546 -194.49569 579.18972
6375.0000 -200.57049 -194.67340 5.89709 2.24530 -194.31289 579.95579
6380.0000 -201.62331 -195.56447 6.05885 2.18377 -195.45544 535.61577
6385.0000 -200.23655 -195.08632 5.15023 2.17546 -195.60972 539.55167
6390.0000 -200.49344 -194.88551 5.60793 2.18907 -195.35690 537.35164
6395.0000 -201.11245 -195.73794 5.37451 2.22036 -194.77597 572.32924
6400.0000 -201.27107 -195.74717 5.52391 2.16740 -195.75930 555.64901
6405.0000 -200.76482 -195.90993 4.85489 2.15614 -195.96832 532.38681
6410.0000 -200.94063 -195.29957 5.64106 2.16908 -195.72809 541.12173
6415.0000 -199.94754 -194.04533 5.90220 2.22994 -194.59819 595.71869
6420.0000 -201.30057 -195.29933 6.00124 2.22506 -194.68873 589.30595
6425.0000 -200.35315 -194.75881 5.59433 2.21049 -194.95928 588.75234
6430.0000 -200.16140 -193.84607 6.31533 2.28024 -193.66423 628.53345
6435.0000 -199.83689 -193.37907 6.45782 2.28400 -193.59445 610.57293
6440.0000 -201.96738 -194.95906 7.00832 2.25002 -194.22538 612.72333
6445.0000 -200.14106 -193.73155 6.40951 2.24159 -194.38189 616.21293
6450.0000 -200.56622 -194.92438 5.64185 2.22455 -194.69818 592.30299
6455.0000 -201.12778 -194.91909 6.20870 2.18096 -195.50746 551.30749
6460.0000 -201.26621 -194.89917 6.36704 2.20214 -195.11432 564.26181
6465.0000 -200.77433 -195.50248 5.27185 2.18350 -195.46034 548.69702
6470.0000 -200.02773 -194.20036 5.82737 2.20573 -195.04770 551.47880
6475.0000 -200.49803 -194.39159 6.10644 2.24602 -194.29965 613.09700
6480.0000 -202.27638 -195.73113 6.54524 2.21540 -194.86817 608.52837
6485.0000 -202.45201 -196.74567 5.70633 2.15125 -196.05919 575.36102
6490.0000 -201.60459 -196.45080 5.15379 2.15041 -196.07476 560.87124
6495.0000 -202.15305 -196.71619 5.43686 2.12175 -196.60681 520.07024
6500.0000 -201.26130 -196.08502 5.17629 2.13802 -196.30478 551.40301
FREEZING PROCESS: loop number 27 T-loop= 553.00000000000000
main_MD> interactions number 27 at Temperature= 553.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.35468 1.33425 0.38193
force_rgl> df(natom) -1.87914 0.50718 1.33852
6505.0000 -202.63400 -196.48753 6.14647 2.14464 -196.18187 554.58250
6510.0000 -201.54708 -195.71334 5.83374 2.13620 -196.33851 531.98396
6515.0000 -203.04151 -196.29218 6.74934 2.15777 -195.93809 554.29701
6520.0000 -202.27668 -196.56365 5.71304 2.13922 -196.28240 553.58156
6525.0000 -202.46752 -196.71217 5.75536 2.10566 -196.90563 527.21507
6530.0000 -202.36335 -196.63088 5.73247 2.10024 -197.00612 527.41488
6535.0000 -202.95326 -196.43162 6.52163 2.11112 -196.80424 542.95277
6540.0000 -202.30356 -197.05140 5.25216 2.09471 -197.10895 526.39149
6545.0000 -202.79785 -197.53971 5.25815 2.06778 -197.60890 506.51267
6550.0000 -201.95551 -196.51557 5.43994 2.10727 -196.87569 531.22822
6555.0000 -202.71187 -196.59108 6.12079 2.10350 -196.94569 545.85868
6560.0000 -202.02538 -196.40987 5.61551 2.11284 -196.77234 541.27961
6565.0000 -202.60404 -196.63202 5.97202 2.12872 -196.47752 556.54046
6570.0000 -201.63834 -196.18435 5.45399 2.13119 -196.43160 537.66747
6575.0000 -201.05768 -195.99863 5.05905 2.13326 -196.39318 543.64202
6580.0000 -202.85718 -196.53958 6.31761 2.15299 -196.02679 558.31092
6585.0000 -201.36982 -195.65638 5.71344 2.11703 -196.69446 512.21628
6590.0000 -202.67126 -197.01733 5.65392 2.13698 -196.32413 537.02526
6595.0000 -201.53206 -195.57153 5.96052 2.13319 -196.39441 527.86441
6600.0000 -201.53441 -195.26525 6.26916 2.18946 -195.34968 571.13106
6605.0000 -201.55879 -195.50590 6.05290 2.18369 -195.45693 583.09890
6610.0000 -201.93214 -196.27698 5.65516 2.15871 -195.92061 546.79942
6615.0000 -201.49057 -196.00072 5.48985 2.11984 -196.64237 519.10888
6620.0000 -201.94338 -197.17352 4.76986 2.11810 -196.67459 512.66101
6625.0000 -200.97357 -194.98036 5.99321 2.13712 -196.32155 505.82244
6630.0000 -201.51223 -196.14896 5.36328 2.20363 -195.08655 562.68093
6635.0000 -200.79380 -195.68953 5.10427 2.17567 -195.60572 543.20963
6640.0000 -201.28050 -195.65098 5.62952 2.18104 -195.50597 536.75852
6645.0000 -200.75115 -194.34728 6.40386 2.20824 -195.00101 574.85925
6650.0000 -201.33754 -195.86847 5.46908 2.22670 -194.65834 566.56953
6655.0000 -200.64696 -194.74278 5.90418 2.21636 -194.85026 557.19593
6660.0000 -201.13185 -194.83574 6.29611 2.20980 -194.97214 562.06259
6665.0000 -199.73040 -193.96415 5.76625 2.26507 -193.94584 610.54569
6670.0000 -200.43570 -194.72774 5.70796 2.22188 -194.74782 582.73049
6675.0000 -201.86298 -195.53079 6.33219 2.19178 -195.30665 571.34107
6680.0000 -201.40381 -195.82361 5.58020 2.20530 -195.05556 578.09729
6685.0000 -201.28428 -195.57494 5.70934 2.18568 -195.41984 555.21932
6690.0000 -201.15813 -196.24226 4.91587 2.16066 -195.88445 532.69858
6695.0000 -201.06761 -195.56894 5.49866 2.17797 -195.56295 550.55678
6700.0000 -200.92435 -194.90168 6.02267 2.18175 -195.49291 568.96924
6705.0000 -200.13574 -194.27137 5.86437 2.22628 -194.66602 611.05522
6710.0000 -200.29045 -195.41492 4.87553 2.22459 -194.69739 562.95779
6715.0000 -200.67024 -195.08157 5.58868 2.21070 -194.95535 563.46542
6720.0000 -200.80598 -195.85252 4.95346 2.14321 -196.20848 494.06629
6725.0000 -201.70835 -195.60029 6.10807 2.16078 -195.88220 525.17650
6730.0000 -200.48403 -195.19537 5.28867 2.18451 -195.44154 533.61105
6735.0000 -200.52165 -195.30539 5.21627 2.20372 -195.08490 552.33631
6740.0000 -201.90196 -195.63077 6.27119 2.13193 -196.41787 512.66757
6745.0000 -200.77543 -195.22024 5.55520 2.15412 -196.00593 522.37457
6750.0000 -200.61095 -194.35503 6.25592 2.20096 -195.13615 552.05492
FREEZING PROCESS: loop number 28 T-loop= 528.00000000000000
main_MD> interactions number 28 at Temperature= 528.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.60710 -0.99972 -2.58118
force_rgl> df(natom) -2.44740 -0.30362 -1.54849
6755.0000 -200.91727 -195.42904 5.48823 2.23772 -194.45363 585.48011
6760.0000 -202.83652 -196.79690 6.03961 2.15732 -195.94640 547.08317
6765.0000 -201.83276 -196.13985 5.69291 2.12747 -196.50069 537.09323
6770.0000 -201.85661 -196.98316 4.87345 2.13529 -196.35537 541.38718
6775.0000 -202.32478 -196.27783 6.04695 2.12241 -196.59460 546.30692
6780.0000 -201.44272 -196.10561 5.33711 2.14516 -196.17215 534.99923
6785.0000 -201.36573 -195.58313 5.78260 2.14954 -196.09087 517.57090
6790.0000 -201.71503 -195.97601 5.73902 2.18079 -195.51063 537.18611
6795.0000 -201.23761 -195.64204 5.59557 2.12211 -196.60010 501.79500
6800.0000 -200.92122 -195.58087 5.34035 2.16725 -195.76198 531.81419
6805.0000 -201.65389 -196.09106 5.56283 2.15986 -195.89928 539.77475
6810.0000 -202.31855 -197.47238 4.84617 2.11528 -196.72699 500.88793
6815.0000 -202.40482 -197.78518 4.61964 2.07790 -197.42102 489.19391
6820.0000 -202.15119 -196.63946 5.51173 2.08780 -197.23713 490.55123
6825.0000 -202.15487 -196.73239 5.42248 2.12111 -196.61874 541.50143
6830.0000 -201.61916 -196.14539 5.47377 2.13592 -196.34371 536.31195
6835.0000 -201.94660 -196.10399 5.84260 2.14228 -196.22569 538.55757
6840.0000 -200.83024 -196.00725 4.82300 2.16647 -195.77659 532.10823
6845.0000 -201.80152 -195.72970 6.07182 2.17192 -195.67543 534.46206
6850.0000 -201.42607 -195.25312 6.17295 2.16301 -195.84077 556.98401
6855.0000 -201.16507 -196.20646 4.95861 2.16585 -195.78805 542.76987
6860.0000 -202.89127 -197.82980 5.06147 2.13043 -196.44562 523.05398
6865.0000 -202.57924 -196.84373 5.73550 2.05238 -197.89473 474.37763
6870.0000 -201.01363 -195.69583 5.31781 2.17462 -195.62516 558.89156
6875.0000 -200.74093 -195.26569 5.47524 2.17024 -195.70663 551.44391
6880.0000 -201.79489 -195.37649 6.41840 2.20587 -195.04501 580.48999
6885.0000 -201.12034 -196.17591 4.94443 2.15171 -196.05063 541.44706
6890.0000 -201.80523 -196.25765 5.54758 2.17020 -195.70734 566.17573
6895.0000 -202.26637 -197.54953 4.71684 2.08714 -197.24942 505.61876
6900.0000 -202.30700 -197.94464 4.36236 2.08162 -197.35194 491.61174
6905.0000 -202.68338 -196.99045 5.69293 2.04399 -198.05058 452.98095
6910.0000 -201.49244 -196.20705 5.28539 2.14208 -196.22944 501.79735
6915.0000 -201.42418 -195.60672 5.81746 2.15409 -196.00641 521.97119
6920.0000 -200.52668 -195.34062 5.18606 2.18027 -195.52042 539.67614
6925.0000 -202.42426 -196.44822 5.97605 2.16316 -195.83795 563.98532
6930.0000 -202.43897 -196.58201 5.85696 2.12944 -196.46404 532.73201
6935.0000 -201.91720 -196.57149 5.34571 2.12903 -196.47171 537.46111
6940.0000 -201.86530 -196.78461 5.08069 2.13438 -196.37228 535.31462
6945.0000 -200.35487 -194.67348 5.68139 2.17473 -195.62311 543.10278
6950.0000 -200.66786 -195.53531 5.13255 2.20999 -194.96851 562.86278
6955.0000 -201.34448 -196.11055 5.23393 2.11480 -196.73585 499.29659
6960.0000 -200.99898 -195.39382 5.60516 2.19943 -195.16459 573.00613
6965.0000 -201.36263 -195.25752 6.10511 2.19887 -195.17507 565.86184
6970.0000 -200.87474 -194.27615 6.59859 2.17692 -195.58249 547.15128
6975.0000 -201.84629 -196.55476 5.29153 2.19081 -195.32456 551.39945
6980.0000 -201.78479 -197.08430 4.70049 2.13327 -196.39293 512.57427
6985.0000 -201.60123 -196.35037 5.25087 2.11963 -196.64626 513.67965
6990.0000 -202.08844 -196.58281 5.50563 2.11985 -196.64211 508.28517
6995.0000 -202.56930 -197.36758 5.20172 2.10147 -196.98342 522.91825
7000.0000 -201.41160 -196.50514 4.90646 2.09117 -197.17464 511.20323
FREEZING PROCESS: loop number 29 T-loop= 503.00000000000000
main_MD> interactions number 29 at Temperature= 503.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.71815 -1.04997 0.04760
force_rgl> df(natom) 0.91732 -1.39533 0.87535
7005.0000 -202.44384 -196.76595 5.67789 2.13261 -196.40515 524.72697
7010.0000 -202.60119 -197.62643 4.97475 2.10569 -196.90502 512.93359
7015.0000 -202.32467 -196.52455 5.80011 2.09070 -197.18341 497.65385
7020.0000 -202.45209 -197.51512 4.93697 2.11351 -196.75989 510.57536
7025.0000 -202.07242 -196.45331 5.61912 2.09383 -197.12525 514.44897
7030.0000 -202.44548 -196.47960 5.96587 2.16295 -195.84188 564.27297
7035.0000 -203.09196 -197.24763 5.84433 2.10326 -196.95019 521.17926
7040.0000 -202.15689 -196.80622 5.35067 2.09544 -197.09525 510.02559
7045.0000 -202.17835 -197.14194 5.03641 2.10410 -196.93446 530.10275
7050.0000 -201.87023 -196.55452 5.31571 2.11566 -196.71996 521.99255
7055.0000 -202.15599 -197.78797 4.36803 2.08559 -197.27820 496.87458
7060.0000 -202.81796 -198.20777 4.61019 2.04170 -198.09311 468.86028
7065.0000 -202.85796 -198.08797 4.76999 2.04349 -198.05980 488.45266
7070.0000 -203.06484 -198.33798 4.72687 2.02712 -198.36379 477.49718
7075.0000 -203.51333 -198.30026 5.21307 2.05397 -197.86525 501.32448
7080.0000 -203.11870 -198.40141 4.71729 2.02542 -198.39529 472.92532
7085.0000 -202.71376 -197.84662 4.86713 2.03247 -198.26452 477.80522
7090.0000 -203.93171 -198.92177 5.00994 2.01846 -198.52452 476.07073
7095.0000 -204.05647 -199.03138 5.02509 1.99654 -198.93152 441.25972
7100.0000 -203.15979 -198.07014 5.08965 2.03434 -198.22978 461.16494
7105.0000 -202.72300 -197.12916 5.59384 2.08057 -197.37134 496.68633
7110.0000 -202.79446 -196.95056 5.84390 2.08152 -197.35372 486.65077
7115.0000 -201.68324 -196.94694 4.73630 2.10210 -196.97160 513.62539
7120.0000 -202.27233 -197.51740 4.75494 2.11068 -196.81240 499.37782
7125.0000 -202.58177 -196.17471 6.40706 2.11064 -196.81317 493.45147
7130.0000 -201.97253 -197.03245 4.94008 2.11925 -196.65332 508.43650
7135.0000 -202.28491 -197.86738 4.41754 2.07533 -197.46862 451.17702
7140.0000 -201.49824 -197.26982 4.22842 2.06901 -197.58593 460.95512
7145.0000 -202.14896 -197.06299 5.08598 2.07490 -197.47664 478.46566
7150.0000 -202.45137 -196.88441 5.56696 2.11177 -196.79220 497.43641
7155.0000 -202.53376 -197.67631 4.85745 2.08574 -197.27532 472.13837
7160.0000 -203.49066 -198.84702 4.64364 2.04429 -198.04506 446.08779
7165.0000 -201.94629 -196.86771 5.07858 2.03200 -198.27310 435.90222
7170.0000 -202.79727 -197.56511 5.23216 2.07509 -197.47316 460.20147
7175.0000 -201.55196 -196.23228 5.31968 2.10775 -196.86682 484.27647
7180.0000 -203.00184 -196.01552 6.98633 2.14966 -196.08868 538.13777
7185.0000 -201.28871 -196.71702 4.57169 2.14120 -196.24563 544.65804
7190.0000 -201.63428 -195.98665 5.64763 2.13193 -196.41780 534.11268
7195.0000 -202.23418 -197.61874 4.61544 2.11517 -196.72899 511.74564
7200.0000 -203.11393 -197.32440 5.78953 2.07011 -197.56569 498.04846
7205.0000 -201.79623 -196.26260 5.53363 2.11568 -196.71954 533.24173
7210.0000 -201.40526 -196.58730 4.81796 2.14356 -196.20194 549.80275
7215.0000 -202.71447 -197.85523 4.85923 2.08928 -197.20960 509.78656
7220.0000 -202.58078 -197.26233 5.31845 2.08143 -197.35551 507.52759
7225.0000 -202.51293 -197.97070 4.54224 2.07430 -197.48782 493.53322
7230.0000 -202.49617 -197.68742 4.80876 2.05035 -197.93242 465.19367
7235.0000 -202.19808 -196.77559 5.42249 2.09114 -197.17512 526.10735
7240.0000 -201.91039 -197.00070 4.90969 2.07951 -197.39106 513.84686
7245.0000 -202.33915 -197.66357 4.67558 2.10090 -196.99399 521.46991
7250.0000 -202.86994 -197.71137 5.15857 2.04612 -198.01108 474.74262
FREEZING PROCESS: loop number 30 T-loop= 478.00000000000000
main_MD> interactions number 30 at Temperature= 478.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.56318 1.14585 1.02876
force_rgl> df(natom) 0.29555 0.37626 -2.67642
7255.0000 -202.68895 -198.75553 3.93342 2.04529 -198.02634 472.07333
7260.0000 -204.05585 -198.51655 5.53930 2.02199 -198.45899 439.71567
7265.0000 -202.70104 -197.19487 5.50617 2.07883 -197.40377 481.26867
7270.0000 -201.78817 -197.21149 4.57669 2.08278 -197.33031 495.59884
7275.0000 -202.10975 -196.63069 5.47906 2.12715 -196.50649 528.63130
7280.0000 -203.29057 -198.58201 4.70856 2.07720 -197.43389 485.67490
7285.0000 -202.73249 -197.84530 4.88719 2.06563 -197.64869 491.70114
7290.0000 -203.47577 -198.38087 5.09490 2.03950 -198.13385 476.57140
7295.0000 -202.81566 -198.34002 4.47564 2.04650 -198.00390 482.43344
7300.0000 -203.22799 -198.92366 4.30433 2.01169 -198.65024 437.60087
7305.0000 -203.38891 -198.92395 4.46496 2.00167 -198.83625 443.79541
7310.0000 -202.51365 -198.33264 4.18101 2.02872 -198.33408 464.28368
7315.0000 -203.57572 -198.64416 4.93156 2.01888 -198.51675 461.12986
7320.0000 -203.15430 -197.72353 5.43077 2.02641 -198.37697 466.99458
7325.0000 -202.99268 -197.17199 5.82069 2.07093 -197.55029 496.92861
7330.0000 -202.83949 -197.28118 5.55831 2.06104 -197.73393 490.99622
7335.0000 -202.06196 -197.41267 4.64929 2.08448 -197.29879 496.18749
7340.0000 -202.80451 -197.45400 5.35051 2.05344 -197.87505 462.86309
7345.0000 -202.25617 -198.07092 4.18525 2.03392 -198.23750 434.66346
7350.0000 -202.90286 -198.66290 4.23996 2.06661 -197.63065 461.18748
7355.0000 -203.08224 -198.60018 4.48206 2.04690 -197.99652 462.12006
7360.0000 -202.61206 -198.21159 4.40047 2.02413 -198.41920 456.28641
7365.0000 -202.28930 -197.32796 4.96135 2.08083 -197.36661 514.86790
7370.0000 -201.94305 -197.16957 4.77348 2.08733 -197.24581 530.45573
7375.0000 -203.38864 -198.00311 5.38553 2.06674 -197.62824 507.12011
7380.0000 -203.12655 -198.97097 4.15558 2.04170 -198.09311 488.38516
7385.0000 -202.48901 -196.67555 5.81346 2.04001 -198.12448 492.02532
7390.0000 -203.33698 -197.22664 6.11035 2.10388 -196.93861 575.24772
7395.0000 -203.76026 -198.76662 4.99364 2.03814 -198.15913 528.02708
7400.0000 -204.15225 -199.58025 4.57200 1.98149 -199.21102 475.73035
7405.0000 -204.79837 -199.32581 5.47256 1.99931 -198.88018 501.83974
7410.0000 -204.71005 -199.29893 5.41112 1.98544 -199.13759 491.06864
7415.0000 -203.80995 -198.30994 5.50001 2.01363 -198.61421 505.32862
7420.0000 -204.39816 -199.42270 4.97547 1.99925 -198.88128 497.75954
7425.0000 -204.25790 -199.16801 5.08989 1.97222 -199.38299 476.91292
7430.0000 -204.84256 -199.41989 5.42266 1.96838 -199.45434 477.26778
7435.0000 -205.00953 -199.82264 5.18688 1.96723 -199.47566 470.24695
7440.0000 -204.84904 -199.83279 5.01626 1.96034 -199.60361 469.21069
7445.0000 -203.42304 -199.07714 4.34590 1.97721 -199.29047 472.72887
7450.0000 -203.34855 -198.54434 4.80421 2.02588 -198.38680 515.14488
7455.0000 -203.83873 -198.87377 4.96496 1.99100 -199.03432 490.16188
7460.0000 -204.06715 -198.86535 5.20180 1.99713 -198.92065 499.93894
7465.0000 -204.99620 -200.49508 4.50112 1.94047 -199.97260 454.48854
7470.0000 -204.33239 -199.51096 4.82143 1.93965 -199.98771 451.42617
7475.0000 -204.46004 -199.62942 4.83062 1.97798 -199.27618 485.65515
7480.0000 -204.54087 -199.92778 4.61308 1.96467 -199.52327 475.21614
7485.0000 -204.06230 -199.19279 4.86951 1.95760 -199.65444 470.75390
7490.0000 -204.96975 -199.89224 5.07751 1.94602 -199.86947 457.82558
7495.0000 -204.35978 -199.11631 5.24347 1.95100 -199.77707 462.04328
7500.0000 -204.08233 -198.79237 5.28996 1.99643 -198.93363 502.76389
FREEZING PROCESS: loop number 31 T-loop= 453.00000000000000
main_MD> interactions number 31 at Temperature= 453.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43026 0.49703 -0.57425
force_rgl> df(natom) -0.83021 2.43945 1.52603
7505.0000 -205.21331 -199.59239 5.62092 2.00162 -198.83725 497.80905
7510.0000 -205.10589 -199.95050 5.15539 1.94754 -199.84127 462.23742
7515.0000 -204.78581 -199.85365 4.93217 1.96012 -199.60780 473.38991
7520.0000 -204.62674 -199.73474 4.89201 1.93008 -200.16545 443.60781
7525.0000 -205.08812 -200.87552 4.21260 1.92422 -200.27433 440.82254
7530.0000 -205.26900 -200.50714 4.76185 1.89350 -200.84462 416.28129
7535.0000 -204.93282 -200.79855 4.13428 1.89798 -200.76147 424.40080
7540.0000 -204.96011 -200.78383 4.17628 1.89356 -200.84347 416.31512
7545.0000 -204.98110 -200.03668 4.94442 1.90265 -200.67479 426.12237
7550.0000 -205.07752 -200.15391 4.92361 1.94866 -199.82051 465.79402
7555.0000 -204.53774 -199.44279 5.09496 1.94257 -199.93361 467.62360
7560.0000 -204.20404 -198.87925 5.32479 1.97380 -199.35377 475.46597
7565.0000 -204.46677 -199.57663 4.89013 1.99193 -199.01705 490.36210
7570.0000 -203.90104 -199.39356 4.50749 1.96163 -199.57962 479.35313
7575.0000 -204.64703 -199.82875 4.81828 1.98996 -199.05368 486.78796
7580.0000 -204.75533 -199.71199 5.04334 1.96176 -199.57730 477.99372
7585.0000 -204.25377 -199.73993 4.51384 1.94650 -199.86060 459.34369
7590.0000 -204.69109 -199.17995 5.51113 1.95773 -199.65213 468.05164
7595.0000 -204.14737 -199.27211 4.87526 1.96139 -199.58405 471.73566
7600.0000 -205.13089 -199.91576 5.21514 1.97061 -199.41290 477.55598
7605.0000 -204.03351 -199.78893 4.24458 1.92946 -200.17695 444.46553
7610.0000 -204.60209 -199.99511 4.60698 1.94821 -199.82879 458.79453
7615.0000 -203.62425 -199.15685 4.46741 1.94583 -199.87310 461.12185
7620.0000 -205.22048 -200.38858 4.83190 1.95247 -199.74969 462.83704
7625.0000 -204.56278 -200.26705 4.29573 1.89243 -200.86455 418.56331
7630.0000 -203.90475 -199.54152 4.36323 1.94197 -199.94469 455.10407
7635.0000 -203.77594 -199.05658 4.71935 1.97286 -199.37127 468.88329
7640.0000 -204.35244 -199.77486 4.57758 1.97037 -199.41741 471.08734
7645.0000 -204.23950 -199.39106 4.84844 1.96240 -199.56530 458.39748
7650.0000 -204.51173 -198.33249 6.17925 1.99411 -198.97655 492.16737
7655.0000 -205.04746 -200.06485 4.98262 1.98681 -199.11212 488.69459
7660.0000 -205.04713 -200.13119 4.91594 1.96083 -199.59451 470.23931
7665.0000 -205.04034 -200.45384 4.58650 1.92580 -200.24493 442.88377
7670.0000 -204.32749 -199.49869 4.82881 1.90730 -200.58845 427.48789
7675.0000 -204.03941 -198.97087 5.06854 1.99600 -198.94164 498.11685
7680.0000 -204.11364 -199.62625 4.48739 1.96213 -199.57043 466.27012
7685.0000 -204.76287 -200.03013 4.73273 1.95954 -199.61849 468.11567
7690.0000 -204.78614 -199.76013 5.02600 1.93356 -200.10090 449.07955
7695.0000 -204.67810 -199.71843 4.95967 1.94566 -199.87627 461.36968
7700.0000 -204.41021 -199.52182 4.88839 1.94841 -199.82514 454.89618
7705.0000 -204.52082 -199.74413 4.77669 1.93850 -200.00905 453.82386
7710.0000 -204.80798 -199.43594 5.37204 1.93472 -200.07939 457.96809
7715.0000 -203.92316 -199.58103 4.34213 1.95734 -199.65937 472.12206
7720.0000 -204.37812 -199.83261 4.54551 1.97536 -199.32469 481.77010
7725.0000 -205.45834 -200.40805 5.05029 1.95485 -199.70550 461.67841
7730.0000 -204.59626 -200.45729 4.13897 1.94443 -199.89895 460.79603
7735.0000 -205.34645 -201.28772 4.05873 1.89081 -200.89459 414.55020
7740.0000 -205.13589 -200.72424 4.41164 1.89807 -200.75969 421.36884
7745.0000 -204.84458 -200.94631 3.89827 1.90534 -200.62482 424.20891
7750.0000 -204.06283 -199.01788 5.04495 1.93302 -200.11089 449.25660
FREEZING PROCESS: loop number 32 T-loop= 428.00000000000000
main_MD> interactions number 32 at Temperature= 428.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72430 -0.41744 0.50599
force_rgl> df(natom) -0.49498 -0.82173 -0.56064
7755.0000 -205.06704 -200.47714 4.58990 1.94504 -199.88778 457.23824
7760.0000 -205.03663 -200.42629 4.61034 1.90354 -200.65817 424.13116
7765.0000 -205.19524 -200.98290 4.21234 1.91395 -200.46488 436.55434
7770.0000 -205.22516 -200.81487 4.41029 1.89946 -200.73397 421.58723
7775.0000 -204.72339 -200.43175 4.29163 1.89852 -200.75131 421.47192
7780.0000 -205.04448 -200.62675 4.41774 1.89900 -200.74253 421.27039
7785.0000 -205.69632 -201.06760 4.62872 1.87711 -201.14891 404.77845
7790.0000 -205.26747 -200.63496 4.63251 1.88640 -200.97633 409.57569
7795.0000 -205.65264 -201.32651 4.32613 1.88251 -201.04867 402.87082
7800.0000 -205.05829 -200.54367 4.51461 1.90794 -200.57655 428.72966
7805.0000 -204.77547 -200.60613 4.16933 1.91146 -200.51120 432.00890
7810.0000 -205.41770 -201.13307 4.28463 1.88644 -200.97571 408.05972
7815.0000 -205.36230 -201.37913 3.98317 1.85728 -201.51716 389.26383
7820.0000 -205.25213 -201.40619 3.84594 1.87002 -201.28056 399.62190
7825.0000 -205.24261 -201.11046 4.13215 1.86809 -201.31643 394.38645
7830.0000 -204.93063 -200.54264 4.38799 1.89044 -200.90136 416.35416
7835.0000 -205.26883 -200.87324 4.39559 1.92522 -200.25574 441.17105
7840.0000 -204.90776 -200.84196 4.06580 1.88652 -200.97419 409.88423
7845.0000 -204.32658 -200.34291 3.98367 1.93212 -200.12757 453.91417
7850.0000 -205.15065 -200.58885 4.56180 1.92479 -200.26369 438.12267
7855.0000 -205.35321 -200.10255 5.25067 1.93591 -200.05718 449.10870
7860.0000 -205.21274 -200.73206 4.48069 1.90058 -200.71321 428.76835
7865.0000 -205.02072 -199.93681 5.08391 1.91334 -200.47621 432.40477
7870.0000 -204.51652 -200.41705 4.09947 1.95976 -199.61444 468.64705
7875.0000 -205.13131 -201.02816 4.10314 1.88475 -201.00700 408.84816
7880.0000 -205.69034 -200.98089 4.70945 1.87526 -201.18317 400.58319
7885.0000 -205.81876 -201.83812 3.98064 1.85693 -201.52365 389.40990
7890.0000 -205.37146 -201.69659 3.67487 1.86130 -201.44238 391.20717
7895.0000 -204.89177 -200.71529 4.17647 1.88255 -201.04800 411.31525
7900.0000 -204.61536 -199.45207 5.16329 1.93324 -200.10681 446.41086
7905.0000 -204.60260 -200.68132 3.92128 1.93058 -200.15610 448.26698
7910.0000 -204.81328 -200.35061 4.46267 1.91197 -200.50174 427.13131
7915.0000 -204.66398 -200.61030 4.05368 1.91765 -200.39626 434.07933
7920.0000 -205.10174 -200.22785 4.87390 1.90601 -200.61238 425.34233
7925.0000 -205.48142 -200.35814 5.12328 1.92994 -200.16801 445.47903
7930.0000 -204.56740 -200.13824 4.42915 1.92338 -200.28990 443.16770
7935.0000 -204.90677 -200.32134 4.58543 1.90887 -200.55919 430.66294
7940.0000 -205.56165 -201.05260 4.50906 1.91727 -200.40321 439.71858
7945.0000 -205.30999 -201.57601 3.73399 1.86069 -201.45376 390.84315
7950.0000 -205.08812 -200.67301 4.41511 1.86874 -201.30434 395.94602
7955.0000 -204.84766 -200.69289 4.15478 1.91308 -200.48103 434.09457
7960.0000 -205.26997 -201.30068 3.96929 1.86274 -201.41579 389.48953
7965.0000 -205.86391 -201.47422 4.38968 1.86626 -201.35031 392.14662
7970.0000 -205.25639 -201.11341 4.14297 1.87369 -201.21237 401.30908
7975.0000 -204.56768 -200.55505 4.01264 1.89952 -200.73280 422.69267
7980.0000 -205.31737 -200.99453 4.32283 1.91047 -200.52951 430.63831
7985.0000 -205.39755 -200.97789 4.41967 1.89303 -200.85342 417.30018
7990.0000 -205.06567 -200.66970 4.39598 1.90304 -200.66754 425.70379
7995.0000 -204.79378 -200.06265 4.73113 1.90427 -200.64470 424.49961
8000.0000 -205.34769 -201.03820 4.30949 1.90069 -200.71115 429.00433
FREEZING PROCESS: loop number 33 T-loop= 403.00000000000000
main_MD> interactions number 33 at Temperature= 403.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.57564 -1.53757 -0.68625
force_rgl> df(natom) -0.37293 -1.02018 0.29543
8005.0000 -205.84526 -201.20893 4.63633 1.89168 -200.87840 417.62139
8010.0000 -205.08827 -200.63553 4.45273 1.88116 -201.07363 405.66275
8015.0000 -205.07260 -201.19751 3.87510 1.87972 -201.10037 406.35619
8020.0000 -205.36858 -201.33176 4.03682 1.86700 -201.33667 394.89871
8025.0000 -205.66316 -201.45483 4.20833 1.85344 -201.58840 385.71639
8030.0000 -205.43050 -201.58728 3.84322 1.85594 -201.54190 383.59929
8035.0000 -205.85058 -201.54025 4.31033 1.87287 -201.22762 399.90323
8040.0000 -205.60802 -201.06660 4.54142 1.88015 -201.09255 403.57363
8045.0000 -205.81988 -201.82519 3.99469 1.87462 -201.19514 405.58135
8050.0000 -205.19191 -201.50081 3.69110 1.84261 -201.78940 375.52265
8055.0000 -205.29176 -201.53312 3.75864 1.84814 -201.68669 377.85038
8060.0000 -205.56041 -201.73448 3.82593 1.86803 -201.31749 395.60253
8065.0000 -205.40738 -201.97147 3.43592 1.84661 -201.71520 381.98274
8070.0000 -205.32255 -200.79515 4.52740 1.87414 -201.20402 400.20301
8075.0000 -205.64312 -201.29720 4.34592 1.88298 -201.03997 408.26126
8080.0000 -205.60846 -201.22869 4.37977 1.85958 -201.47430 391.25191
8085.0000 -205.37718 -201.50852 3.86866 1.86263 -201.41781 395.73195
8090.0000 -204.63348 -200.80243 3.83105 1.89400 -200.83541 418.22804
8095.0000 -205.05653 -200.92583 4.13070 1.89625 -200.79362 421.49310
8100.0000 -205.14619 -200.87477 4.27142 1.86195 -201.43036 391.41870
8105.0000 -204.52645 -200.23697 4.28947 1.88992 -200.91110 416.31075
8110.0000 -204.51042 -199.74540 4.76502 1.92362 -200.28535 441.17668
8115.0000 -205.25455 -199.84956 5.40499 1.94944 -199.80591 464.66139
8120.0000 -205.23236 -200.76570 4.46666 1.91557 -200.43485 432.79929
8125.0000 -204.88019 -199.41444 5.46575 1.91719 -200.40486 437.18632
8130.0000 -204.99029 -201.19808 3.79222 1.91607 -200.42559 433.59379
8135.0000 -205.54387 -201.57481 3.96906 1.87643 -201.16147 403.27672
8140.0000 -205.09898 -200.84169 4.25730 1.87468 -201.19394 405.52028
8145.0000 -205.55636 -201.43263 4.12372 1.87153 -201.25247 401.75468
8150.0000 -204.87638 -201.53777 3.33861 1.86660 -201.34404 399.91669
8155.0000 -205.48094 -201.47515 4.00580 1.86761 -201.32531 393.84830
8160.0000 -205.52895 -201.07730 4.45165 1.88363 -201.02788 408.87582
8165.0000 -205.05749 -200.76345 4.29404 1.86609 -201.35345 399.35825
8170.0000 -205.65296 -201.25737 4.39560 1.88048 -201.08625 409.86154
8175.0000 -205.64991 -200.98045 4.66947 1.87074 -201.26719 399.17253
8180.0000 -204.59722 -200.62785 3.96937 1.87956 -201.10335 408.47234
8185.0000 -204.72359 -200.60916 4.11443 1.90324 -200.66370 420.45310
8190.0000 -205.47848 -200.97213 4.50636 1.89619 -200.79475 418.51920
8195.0000 -204.98330 -200.71268 4.27062 1.91075 -200.52443 429.66096
8200.0000 -204.98963 -200.56822 4.42142 1.88632 -200.97791 412.99549
8205.0000 -204.20522 -199.99180 4.21342 1.91248 -200.49225 438.39213
8210.0000 -205.63038 -201.77462 3.85576 1.90387 -200.65205 431.96938
8215.0000 -204.93356 -201.00288 3.93068 1.86223 -201.42526 389.15070
8220.0000 -204.59259 -200.95539 3.63720 1.89492 -200.81817 417.77531
8225.0000 -205.51984 -200.54608 4.97376 1.91066 -200.52607 432.31786
8230.0000 -204.79250 -201.17740 3.61510 1.87160 -201.25123 402.71494
8235.0000 -204.92714 -200.40740 4.51974 1.88993 -200.91094 413.99265
8240.0000 -205.25181 -201.33082 3.92099 1.86895 -201.30043 401.64634
8245.0000 -205.65311 -201.45926 4.19385 1.87965 -201.10175 404.90109
8250.0000 -205.28966 -200.84312 4.44654 1.86719 -201.33305 397.91757
FREEZING PROCESS: loop number 34 T-loop= 378.00000000000000
main_MD> interactions number 34 at Temperature= 378.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04275 0.30151 -1.38626
force_rgl> df(natom) -1.27728 -2.89159 -1.15804
8255.0000 -205.50586 -201.44947 4.05639 1.87176 -201.24827 398.66233
8260.0000 -205.39122 -201.43553 3.95569 1.85237 -201.60823 383.18408
8265.0000 -205.57574 -201.11349 4.46225 1.87578 -201.17364 402.41154
8270.0000 -205.47631 -201.41334 4.06296 1.84725 -201.70331 375.86562
8275.0000 -204.90974 -201.13625 3.77349 1.87027 -201.27599 395.83790
8280.0000 -205.37507 -200.96774 4.40734 1.88877 -200.93249 411.04152
8285.0000 -206.24609 -201.58663 4.65946 1.85535 -201.55296 384.46199
8290.0000 -206.12203 -202.18593 3.93609 1.85982 -201.46999 389.62250
8295.0000 -206.15348 -202.72577 3.42772 1.82780 -202.06433 364.41752
8300.0000 -205.67981 -201.46240 4.21740 1.82457 -202.12439 362.32021
8305.0000 -204.87757 -201.02940 3.84817 1.86618 -201.35185 392.46953
8310.0000 -205.58815 -202.14301 3.44514 1.86533 -201.36771 393.18436
8315.0000 -205.97088 -202.11814 3.85274 1.82896 -202.04287 362.70902
8320.0000 -206.11621 -202.32283 3.79339 1.82730 -202.07373 362.68228
8325.0000 -205.61892 -201.71179 3.90713 1.82344 -202.14543 358.72471
8330.0000 -205.48876 -202.15189 3.33687 1.84379 -201.76750 376.35896
8335.0000 -205.98752 -201.50191 4.48561 1.82967 -202.02967 366.31627
8340.0000 -205.71100 -201.37047 4.34053 1.83730 -201.88811 371.44268
8345.0000 -205.73306 -202.21569 3.51737 1.82343 -202.14562 359.92590
8350.0000 -205.73805 -201.78644 3.95161 1.85145 -201.62541 382.86068
8355.0000 -205.34903 -201.27348 4.07554 1.87132 -201.25642 397.61507
8360.0000 -204.63984 -200.90374 3.73609 1.88377 -201.02523 412.45169
8365.0000 -205.21867 -201.26637 3.95230 1.89221 -200.86848 416.64561
8370.0000 -205.53169 -201.81000 3.72169 1.85564 -201.54757 387.37134
8375.0000 -205.77511 -202.35276 3.42236 1.80667 -202.45677 345.79591
8380.0000 -206.25846 -202.83489 3.42357 1.80136 -202.55531 343.08526
8385.0000 -205.71408 -202.81895 2.89513 1.77933 -202.96438 322.92145
8390.0000 -206.14591 -202.73289 3.41302 1.79055 -202.75593 332.54376
8395.0000 -205.68481 -201.93960 3.74521 1.82941 -202.03447 365.51696
8400.0000 -205.52139 -202.05230 3.46909 1.83567 -201.91834 372.22394
8405.0000 -206.25072 -202.37842 3.87230 1.81115 -202.37346 350.79931
8410.0000 -206.47966 -202.51393 3.96573 1.80888 -202.41577 348.47281
8415.0000 -205.72537 -201.90497 3.82040 1.82463 -202.12323 360.57774
8420.0000 -205.92540 -202.01179 3.91361 1.84710 -201.70602 379.40983
8425.0000 -205.86016 -202.07022 3.78994 1.84198 -201.80123 371.72357
8430.0000 -205.34584 -201.33425 4.01159 1.85288 -201.59884 386.61851
8435.0000 -205.99667 -202.16913 3.82754 1.83545 -201.92242 369.02941
8440.0000 -206.09298 -202.18393 3.90905 1.81674 -202.26979 358.65692
8445.0000 -206.68827 -203.06904 3.61922 1.81808 -202.24489 357.36260
8450.0000 -205.92125 -201.78906 4.13218 1.80547 -202.47906 344.13802
8455.0000 -205.22920 -201.36175 3.86745 1.86084 -201.45107 389.24171
8460.0000 -205.84976 -202.06502 3.78474 1.85954 -201.47518 389.29420
8465.0000 -205.29981 -201.44174 3.85807 1.85137 -201.62685 385.33078
8470.0000 -205.39047 -201.54118 3.84929 1.86850 -201.30874 396.77816
8475.0000 -205.98623 -202.35524 3.63099 1.81300 -202.33920 350.85531
8480.0000 -205.17392 -201.60200 3.57192 1.83334 -201.96161 367.79987
8485.0000 -204.91266 -200.78231 4.13035 1.86614 -201.35258 394.06544
8490.0000 -204.87242 -200.55846 4.31396 1.88277 -201.04385 408.58738
8495.0000 -205.30922 -201.17033 4.13889 1.90084 -200.70828 424.59440
8500.0000 -206.05598 -202.26170 3.79429 1.84254 -201.79081 376.01826
FREEZING PROCESS: loop number 35 T-loop= 353.00000000000000
main_MD> interactions number 35 at Temperature= 353.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91461 0.61257 -1.28991
force_rgl> df(natom) 1.25447 -0.69510 0.20750
8505.0000 -206.45153 -203.02748 3.42405 1.78807 -202.80207 332.04387
8510.0000 -206.47934 -202.38232 4.09701 1.78688 -202.82421 331.13554
8515.0000 -206.04117 -202.20399 3.83718 1.82368 -202.14098 360.16283
8520.0000 -205.97890 -202.86146 3.11744 1.78998 -202.76650 332.29348
8525.0000 -206.25581 -202.20287 4.05295 1.79044 -202.75808 333.39703
8530.0000 -205.94526 -201.86208 4.08318 1.83732 -201.88769 373.51881
8535.0000 -206.01048 -202.52752 3.48297 1.81774 -202.25120 354.98761
8540.0000 -205.75445 -201.89568 3.85877 1.81806 -202.24534 356.42683
8545.0000 -206.44224 -202.78738 3.65486 1.80550 -202.47841 347.82911
8550.0000 -205.91625 -202.61084 3.30541 1.76483 -203.23345 315.70830
8555.0000 -206.16405 -202.51962 3.64444 1.83079 -202.00882 362.51993
8560.0000 -206.29491 -202.89484 3.40007 1.79976 -202.58507 338.58222
8565.0000 -205.60388 -202.09225 3.51163 1.80688 -202.45273 347.16870
8570.0000 -206.03913 -202.17368 3.86545 1.82227 -202.16703 358.75723
8575.0000 -206.27210 -202.84146 3.43064 1.81778 -202.25051 360.07648
8580.0000 -205.45109 -201.25988 4.19121 1.80591 -202.47092 345.58709
8585.0000 -205.27328 -200.86432 4.40896 1.86853 -201.30823 392.03442
8590.0000 -206.04399 -201.93436 4.10963 1.84312 -201.78002 377.83110
8595.0000 -205.26772 -201.85290 3.41482 1.83232 -201.98050 371.41187
8600.0000 -205.96027 -202.13721 3.82307 1.82423 -202.13065 359.19936
8605.0000 -206.25865 -202.90796 3.35069 1.78249 -202.90567 327.74609
8610.0000 -206.79854 -202.65871 4.13983 1.78791 -202.80508 332.17504
8615.0000 -206.04193 -201.96685 4.07508 1.81039 -202.38764 352.74694
8620.0000 -205.34529 -201.69855 3.64673 1.84808 -201.68797 379.16105
8625.0000 -206.32094 -202.62974 3.69120 1.81864 -202.23455 354.36084
8630.0000 -205.46474 -201.90541 3.55933 1.80996 -202.39568 348.55231
8635.0000 -205.90491 -202.11700 3.78791 1.82920 -202.03844 366.16207
8640.0000 -205.76162 -202.08301 3.67861 1.81471 -202.30752 351.69906
8645.0000 -205.68253 -202.04970 3.63283 1.83377 -201.95362 373.37880
8650.0000 -206.37832 -202.67176 3.70656 1.80976 -202.39942 350.26169
8655.0000 -206.25123 -202.79359 3.45764 1.79520 -202.66970 341.92168
8660.0000 -206.30871 -202.44285 3.86586 1.81020 -202.39111 349.97059
8665.0000 -206.23506 -202.86707 3.36798 1.80735 -202.44408 345.13462
8670.0000 -206.10109 -202.12111 3.97998 1.80075 -202.56670 340.78633
8675.0000 -206.49541 -203.13006 3.36535 1.78804 -202.80262 331.45180
8680.0000 -206.23640 -202.20992 4.02647 1.78754 -202.81182 330.88354
8685.0000 -205.86146 -202.57998 3.28149 1.80866 -202.41972 352.20794
8690.0000 -205.80575 -202.64946 3.15630 1.80305 -202.52397 342.04723
8695.0000 -206.18775 -202.40479 3.78296 1.81658 -202.27265 352.01801
8700.0000 -206.33373 -202.55521 3.77852 1.80600 -202.46913 348.90181
8705.0000 -206.08912 -202.62226 3.46686 1.80947 -202.40478 348.40502
8710.0000 -206.24374 -203.10608 3.13766 1.76811 -203.17256 317.62599
8715.0000 -205.79267 -202.70776 3.08491 1.78648 -202.83157 327.39660
8720.0000 -206.20096 -202.83405 3.36691 1.79817 -202.61452 341.35158
8725.0000 -205.84011 -201.92264 3.91747 1.78695 -202.82282 333.17506
8730.0000 -206.31618 -202.60291 3.71327 1.83543 -201.92271 369.67488
8735.0000 -206.30254 -202.61843 3.68411 1.79526 -202.66852 337.14278
8740.0000 -205.85566 -202.51488 3.34078 1.79786 -202.62022 334.90936
8745.0000 -205.85024 -201.51310 4.33713 1.85579 -201.54479 388.25113
8750.0000 -205.97864 -202.29304 3.68560 1.81701 -202.26470 355.89680
FREEZING PROCESS: loop number 36 T-loop= 328.00000000000000
main_MD> interactions number 36 at Temperature= 328.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.07580 -2.57022 -1.48302
force_rgl> df(natom) -0.73475 0.90759 2.55186
8755.0000 -205.94159 -202.91385 3.02774 1.79363 -202.69887 334.56458
8760.0000 -206.34915 -202.66657 3.68258 1.77655 -203.01589 321.14793
8765.0000 -206.27472 -202.80079 3.47393 1.79412 -202.68968 339.20089
8770.0000 -206.04449 -202.73808 3.30641 1.79503 -202.67288 338.38090
8775.0000 -206.74347 -203.08229 3.66118 1.78499 -202.85915 326.71194
8780.0000 -206.22242 -202.91283 3.30959 1.77673 -203.01252 319.28811
8785.0000 -206.35296 -203.00748 3.34548 1.78041 -202.94425 323.79343
8790.0000 -206.61407 -203.49547 3.11860 1.78535 -202.85254 331.82491
8795.0000 -205.96016 -202.71457 3.24559 1.76867 -203.16224 317.24071
8800.0000 -206.17841 -202.30968 3.86874 1.79178 -202.73318 335.24292
8805.0000 -206.11372 -202.77627 3.33746 1.79107 -202.74627 335.28661
8810.0000 -206.23527 -202.41006 3.82521 1.79341 -202.70300 336.73450
8815.0000 -205.72016 -202.20359 3.51657 1.80694 -202.45166 343.46194
8820.0000 -206.61284 -203.27267 3.34017 1.79098 -202.74798 333.50050
8825.0000 -206.24046 -203.18417 3.05629 1.77898 -202.97077 323.86555
8830.0000 -206.32905 -203.23217 3.09689 1.76622 -203.20765 312.27964
8835.0000 -207.10719 -203.46447 3.64272 1.77473 -203.04969 318.56467
8840.0000 -206.15280 -202.87521 3.27759 1.76428 -203.24375 311.46437
8845.0000 -206.52154 -203.13868 3.38286 1.77505 -203.04370 322.01778
8850.0000 -206.09276 -202.43001 3.66275 1.81315 -202.33636 354.21513
8855.0000 -206.08301 -203.02132 3.06169 1.77708 -203.00608 322.09191
8860.0000 -205.85792 -202.50960 3.34831 1.79029 -202.76090 335.05312
8865.0000 -205.51645 -202.23745 3.27899 1.80479 -202.49156 344.96126
8870.0000 -206.30487 -202.77140 3.53347 1.79320 -202.70673 337.49207
8875.0000 -206.03298 -201.95543 4.07755 1.82245 -202.16370 359.48385
8880.0000 -206.03511 -202.26724 3.76787 1.81702 -202.26465 353.78068
8885.0000 -206.40571 -202.71893 3.68678 1.80035 -202.57415 341.16244
8890.0000 -206.38398 -202.99525 3.38873 1.77990 -202.95375 325.09540
8895.0000 -206.45631 -202.26471 4.19160 1.80833 -202.42589 349.37559
8900.0000 -206.25619 -202.38650 3.86969 1.81953 -202.21792 356.96431
8905.0000 -206.47679 -203.19059 3.28620 1.78719 -202.81842 330.69074
8910.0000 -206.49642 -202.91875 3.57767 1.77279 -203.08576 318.41432
8915.0000 -206.17836 -202.16214 4.01622 1.80727 -202.44562 349.92760
8920.0000 -206.07384 -202.77991 3.29393 1.79298 -202.71083 339.02454
8925.0000 -206.09632 -202.51563 3.58069 1.79391 -202.69363 338.01377
8930.0000 -205.97174 -202.87133 3.10040 1.79333 -202.70436 334.49977
8935.0000 -205.92599 -203.05237 2.87362 1.77473 -203.04965 320.22278
8940.0000 -206.45913 -203.43294 3.02619 1.76149 -203.29550 308.59936
8945.0000 -206.74335 -203.33460 3.40875 1.74536 -203.59508 294.53353
8950.0000 -205.78238 -202.54472 3.23766 1.77059 -203.12651 315.83842
8955.0000 -206.31789 -202.79029 3.52760 1.78243 -202.90685 325.18269
8960.0000 -206.28927 -202.92447 3.36480 1.78406 -202.87653 324.28240
8965.0000 -206.04391 -202.77518 3.26872 1.78268 -202.90215 323.44831
8970.0000 -206.48893 -203.52791 2.96102 1.76677 -203.19743 312.23222
8975.0000 -206.02762 -202.78364 3.24398 1.78497 -202.85957 327.63211
8980.0000 -206.58824 -203.45714 3.13110 1.78294 -202.89730 326.83675
8985.0000 -206.77430 -203.90246 2.87184 1.74691 -203.56625 297.77245
8990.0000 -206.69164 -204.08028 2.61135 1.74482 -203.60499 295.75382
8995.0000 -206.33065 -203.19446 3.13619 1.73570 -203.77430 289.16989
9000.0000 -206.48026 -202.76399 3.71627 1.78509 -202.85730 329.13935
FREEZING PROCESS: loop number 37 T-loop= 303.00000000000000
main_MD> interactions number 37 at Temperature= 303.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21231 -1.36212 -2.13202
force_rgl> df(natom) 1.87856 0.94206 -0.78277
9005.0000 -205.70969 -202.17320 3.53648 1.79418 -202.68856 336.26263
9010.0000 -206.10041 -203.02746 3.07295 1.80189 -202.54541 343.25139
9015.0000 -206.60687 -203.18088 3.42599 1.75761 -203.36758 305.48379
9020.0000 -206.41525 -203.28738 3.12787 1.77020 -203.13392 316.78198
9025.0000 -206.03720 -202.85663 3.18057 1.77160 -203.10781 317.60105
9030.0000 -206.52115 -203.30598 3.21517 1.78049 -202.94270 321.55821
9035.0000 -206.55668 -203.05382 3.50286 1.76739 -203.18598 312.99064
9040.0000 -206.55359 -203.76368 2.78991 1.75111 -203.48820 299.06076
9045.0000 -207.07197 -204.16833 2.90364 1.73575 -203.77341 286.58856
9050.0000 -207.01710 -203.98927 3.02783 1.72368 -203.99752 276.55689
9055.0000 -206.16944 -203.03479 3.13466 1.74993 -203.51009 299.58413
9060.0000 -206.95198 -203.80648 3.14550 1.75552 -203.40645 303.12861
9065.0000 -206.35869 -203.08550 3.27320 1.75037 -203.50208 300.37264
9070.0000 -206.72622 -203.57899 3.14723 1.76920 -203.15246 315.64091
9075.0000 -206.86239 -204.00894 2.85345 1.74125 -203.67134 296.00982
9080.0000 -206.62811 -203.55897 3.06915 1.73322 -203.82034 285.65466
9085.0000 -206.77001 -203.35485 3.41516 1.76940 -203.14862 314.86837
9090.0000 -206.48236 -203.47686 3.00550 1.74072 -203.68113 289.73542
9095.0000 -207.16955 -204.18249 2.98707 1.74516 -203.59875 296.55856
9100.0000 -206.30746 -203.81179 2.49567 1.72905 -203.89792 281.39574
9105.0000 -206.80039 -203.85363 2.94676 1.73158 -203.85093 285.64220
9110.0000 -206.56599 -203.22228 3.34371 1.73882 -203.71644 290.35336
9115.0000 -206.47878 -203.55850 2.92028 1.75658 -203.38666 303.73260
9120.0000 -206.07585 -202.42447 3.65139 1.77636 -203.01938 319.33571
9125.0000 -206.71209 -203.38172 3.33037 1.78160 -202.92212 326.02464
9130.0000 -206.53214 -203.43388 3.09826 1.76154 -203.29459 306.12218
9135.0000 -206.50056 -203.49203 3.00852 1.75134 -203.48408 300.94978
9140.0000 -206.96986 -204.02810 2.94177 1.73171 -203.84851 287.91109
9145.0000 -206.36956 -203.28518 3.08437 1.73741 -203.74271 292.36065
9150.0000 -206.79086 -203.63359 3.15727 1.74942 -203.51969 297.75546
9155.0000 -207.09932 -203.66743 3.43189 1.74486 -203.60424 295.47922
9160.0000 -206.84001 -203.83783 3.00218 1.74350 -203.62958 295.21913
9165.0000 -207.09177 -203.62450 3.46727 1.74031 -203.68874 291.60021
9170.0000 -206.49982 -203.59407 2.90575 1.75106 -203.48913 299.18466
9175.0000 -206.49144 -203.40224 3.08919 1.74951 -203.51802 299.86262
9180.0000 -206.80661 -203.36821 3.43840 1.76361 -203.25621 310.70079
9185.0000 -206.09554 -203.06841 3.02714 1.75496 -203.41675 304.27637
9190.0000 -207.01030 -203.91362 3.09668 1.72990 -203.88200 283.03334
9195.0000 -206.43111 -203.13956 3.29155 1.75328 -203.44795 304.19380
9200.0000 -207.00286 -204.27135 2.73151 1.73428 -203.80075 286.71636
9205.0000 -206.81888 -203.71349 3.10539 1.73665 -203.75677 290.78011
9210.0000 -206.45301 -203.20918 3.24382 1.75191 -203.47332 301.72895
9215.0000 -206.33839 -203.28969 3.04871 1.75961 -203.33046 308.50715
9220.0000 -206.21756 -202.74828 3.46929 1.75765 -203.36677 306.38219
9225.0000 -206.29119 -203.12770 3.16350 1.76595 -203.21283 311.95710
9230.0000 -206.69837 -203.54697 3.15140 1.74411 -203.61823 295.07951
9235.0000 -206.38639 -203.46756 2.91883 1.74977 -203.51312 299.33614
9240.0000 -206.57289 -203.26318 3.30972 1.75599 -203.39775 303.86034
9245.0000 -206.31645 -203.44672 2.86973 1.76233 -203.27997 306.52662
9250.0000 -206.42020 -203.50820 2.91200 1.75818 -203.35702 304.34667
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 19.2140257 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink