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nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_80/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_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: 1650
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> 0.13373188963251578 5.2020766198360491E-002 -8.4532792177610366E-002 initial drift of cluster / NP1 for coalescence
init> 0.32609369364382956 0.35785357771320786 0.28913040499077086 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.6155064494436903E-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) 9.52280 4.88651 1.24491
force_rgl> df(natom) 1.89156 -1.70850 -3.49950
preparo> THERMALIZATION PROCESS AT 1134.3362214677074
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -181.81386718378027 9.7347098176838731 -191.54857700146414 6.1807948552803109E-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 33
FREEZING PROCESS: loop number 1 T-loop= 1109.0000000000000
main_MD> interactions number 1 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.37718 1.07153 2.14426
force_rgl> df(natom) -0.36387 -0.36402 -2.13319
5.0000 -191.32808 -179.67555 11.65253 3.03791 -179.59706 1114.56138
10.0000 -188.67906 -177.61718 11.06188 3.09083 -178.61451 1118.42907
15.0000 -189.97044 -180.21272 9.75772 3.02137 -179.90411 1095.44062
20.0000 -191.66345 -179.73119 11.93226 3.08325 -178.75536 1102.59917
25.0000 -189.75967 -177.39980 12.35987 3.13195 -177.85107 1154.40707
30.0000 -190.12134 -179.18895 10.93239 3.12879 -177.90978 1135.41170
35.0000 -190.34801 -180.62212 9.72590 3.04666 -179.43465 1087.97530
40.0000 -191.25219 -178.84297 12.40922 3.09535 -178.53058 1150.25471
45.0000 -190.31157 -176.97911 13.33246 3.17409 -177.06876 1163.27338
50.0000 -190.49595 -178.43793 12.05801 3.11422 -178.18023 1132.01346
55.0000 -189.10434 -177.76941 11.33493 3.14947 -177.52574 1170.49775
60.0000 -188.23311 -176.33654 11.89657 3.19803 -176.62416 1188.46289
65.0000 -188.69548 -176.65166 12.04383 3.21401 -176.32758 1224.50078
70.0000 -191.64661 -179.91614 11.73047 3.09017 -178.62678 1193.65480
75.0000 -190.17372 -179.58905 10.58467 3.04263 -179.50951 1136.48623
80.0000 -191.24633 -180.02790 11.21843 2.98250 -180.62580 1046.15194
85.0000 -190.16352 -179.24903 10.91449 3.04677 -179.43256 1091.69986
90.0000 -189.49558 -177.37028 12.12530 3.06233 -179.14370 1094.99932
95.0000 -189.44531 -178.27288 11.17243 3.13059 -177.87628 1131.11137
100.0000 -189.17081 -176.84814 12.32267 3.12046 -178.06451 1156.41060
105.0000 -190.30899 -178.25226 12.05673 3.17947 -176.96884 1196.15940
110.0000 -189.57441 -178.61935 10.95507 3.08481 -178.72639 1120.14724
115.0000 -189.21694 -178.59343 10.62351 3.09594 -178.51970 1128.70562
120.0000 -191.03613 -178.75766 12.27847 3.09120 -178.60760 1108.53050
125.0000 -191.58605 -180.75076 10.83530 3.06756 -179.04652 1184.20676
130.0000 -191.88695 -179.61996 12.26700 2.93698 -181.47096 1039.57403
135.0000 -189.89421 -177.41334 12.48087 3.08985 -178.63279 1130.26600
140.0000 -189.47694 -177.89388 11.58306 3.13083 -177.87194 1164.14051
145.0000 -192.12773 -180.61544 11.51229 3.08502 -178.72251 1156.91238
150.0000 -191.63104 -179.94616 11.68489 2.97096 -180.84016 1065.95068
155.0000 -190.92193 -179.32454 11.59739 3.04764 -179.41637 1095.86058
160.0000 -192.03624 -180.15649 11.87975 3.08586 -178.70681 1105.41119
165.0000 -188.82419 -178.19055 10.63364 3.04541 -179.45781 1105.01054
170.0000 -190.85426 -180.41772 10.43654 3.01956 -179.93775 1065.18149
175.0000 -190.91407 -180.44228 10.47178 3.02979 -179.74792 1069.18075
180.0000 -190.88116 -179.29903 11.58213 3.05324 -179.31245 1065.60448
185.0000 -190.63476 -179.80650 10.82826 3.04678 -179.43247 1100.53615
190.0000 -189.42156 -178.71098 10.71058 3.07185 -178.96700 1120.35720
195.0000 -189.71599 -178.08293 11.63306 3.10839 -178.28857 1111.36744
200.0000 -191.41740 -180.88946 10.52794 3.06329 -179.12585 1109.27050
205.0000 -191.10407 -179.39921 11.70486 2.97439 -180.77649 1033.18659
210.0000 -192.28852 -180.92776 11.36076 2.95913 -181.05972 1032.27863
215.0000 -189.40566 -179.99842 9.40724 3.03723 -179.60963 1106.24304
220.0000 -190.07761 -180.40018 9.67743 3.02167 -179.89865 1080.60657
225.0000 -190.59044 -179.69794 10.89250 3.07993 -178.81692 1120.28788
230.0000 -188.51299 -176.95441 11.55858 3.13591 -177.77757 1147.86996
235.0000 -189.14269 -176.89621 12.24648 3.20416 -176.51046 1184.30861
240.0000 -191.56793 -180.46691 11.10102 3.14019 -177.69811 1165.33010
245.0000 -188.62188 -177.16947 11.45241 3.09179 -178.59679 1126.26678
250.0000 -188.05787 -176.40784 11.65003 3.17660 -177.02213 1152.86801
FREEZING PROCESS: loop number 2 T-loop= 1084.0000000000000
main_MD> interactions number 2 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.30229 -3.26931 1.44862
force_rgl> df(natom) -6.93728 3.46575 -5.38282
255.0000 -190.70043 -178.43338 12.26704 3.13015 -177.88461 1140.38492
260.0000 -191.59870 -179.88795 11.71074 3.00235 -180.25737 1084.79355
265.0000 -191.12109 -178.83707 12.28402 3.05176 -179.34001 1084.35876
270.0000 -188.94562 -177.45957 11.48605 3.11168 -178.22737 1146.19434
275.0000 -191.92725 -179.69584 12.23141 3.10080 -178.42947 1144.02559
280.0000 -190.61263 -178.78525 11.82738 3.03186 -179.70937 1098.81383
285.0000 -190.75901 -179.10994 11.64907 3.12319 -178.01382 1109.40152
290.0000 -189.74627 -178.30353 11.44274 3.13284 -177.83458 1155.36473
295.0000 -189.40761 -178.00557 11.40204 3.14674 -177.57644 1158.20811
300.0000 -190.68413 -179.05426 11.62987 3.03307 -179.68698 1066.31355
305.0000 -190.74987 -178.35248 12.39739 3.07181 -178.96772 1109.84943
310.0000 -188.10105 -174.99403 13.10702 3.20132 -176.56314 1155.41628
315.0000 -191.95151 -180.50608 11.44542 3.12289 -178.01934 1147.72032
320.0000 -190.86826 -179.66492 11.20334 3.01521 -180.01853 1063.40948
325.0000 -189.36095 -179.70240 9.65855 3.05362 -179.30543 1092.18411
330.0000 -190.25873 -179.87771 10.38103 3.00144 -180.27426 1045.31552
335.0000 -187.48247 -175.67668 11.80580 3.18349 -176.89418 1177.25818
340.0000 -190.70507 -179.74739 10.95768 3.18200 -176.92191 1180.28232
345.0000 -191.39118 -180.17048 11.22070 3.03933 -179.57080 1091.53329
350.0000 -189.24161 -179.06136 10.18025 2.99889 -180.32150 1051.11983
355.0000 -191.17540 -180.47133 10.70407 3.07922 -178.83019 1112.80342
360.0000 -192.87271 -181.04606 11.82665 2.97577 -180.75081 1045.29966
365.0000 -192.95097 -183.77410 9.17687 2.87212 -182.67512 1008.96230
370.0000 -192.53114 -181.75400 10.77714 2.91154 -181.94327 1031.90533
375.0000 -190.00493 -179.52791 10.47702 2.98687 -180.54480 1070.03993
380.0000 -192.34788 -181.32332 11.02455 3.00058 -180.29023 1040.08985
385.0000 -193.15825 -181.78702 11.37124 2.96791 -180.89669 1025.48629
390.0000 -191.99094 -182.02337 9.96756 2.94913 -181.24545 1011.95007
395.0000 -191.03718 -179.02388 12.01329 3.01563 -180.01068 1063.61572
400.0000 -192.33349 -180.61801 11.71549 3.01237 -180.07121 1073.15406
405.0000 -189.88258 -180.17023 9.71235 2.98140 -180.64632 1061.30787
410.0000 -191.13531 -179.83086 11.30444 3.05477 -179.28402 1097.16710
415.0000 -190.47251 -177.55706 12.91545 3.04157 -179.52921 1077.78369
420.0000 -191.43645 -178.63473 12.80172 3.09024 -178.62550 1119.72125
425.0000 -189.09511 -179.68101 9.41409 3.09273 -178.57932 1154.30807
430.0000 -189.50014 -179.14678 10.35336 3.04133 -179.53361 1083.35013
435.0000 -187.08233 -176.75937 10.32296 3.10130 -178.42025 1106.62943
440.0000 -188.46472 -175.84451 12.62021 3.22708 -176.08490 1196.89564
445.0000 -189.93961 -176.89114 13.04847 3.15637 -177.39774 1163.05279
450.0000 -190.84517 -178.21995 12.62522 3.17266 -177.09536 1158.29406
455.0000 -190.55580 -177.93280 12.62299 3.06259 -179.13888 1092.68954
460.0000 -194.06027 -183.56919 10.49107 2.93621 -181.48524 1003.73823
465.0000 -192.77788 -182.12196 10.65592 2.84340 -183.20837 960.84399
470.0000 -192.68546 -182.34574 10.33971 2.85053 -183.07597 946.74131
475.0000 -191.82196 -181.32837 10.49359 2.99672 -180.36177 1054.01775
480.0000 -190.59006 -179.26199 11.32807 2.97998 -180.67272 1039.01120
485.0000 -193.20785 -181.85673 11.35112 2.96763 -180.90189 1047.17748
490.0000 -193.70787 -182.29969 11.40818 2.92096 -181.76842 1003.07205
495.0000 -192.26711 -179.91136 12.35576 2.95818 -181.07730 1042.04365
500.0000 -191.54649 -181.85069 9.69580 2.96892 -180.87806 1047.74810
FREEZING PROCESS: loop number 3 T-loop= 1059.0000000000000
main_MD> interactions number 3 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.33891 -1.31886 -2.43915
force_rgl> df(natom) -1.56863 -0.32303 0.11972
505.0000 -190.86961 -181.39693 9.47268 2.95033 -181.22312 1030.57805
510.0000 -191.49758 -181.17608 10.32150 2.99593 -180.37651 1066.71218
515.0000 -189.90715 -179.82760 10.07955 2.99783 -180.34120 1064.83247
520.0000 -190.94008 -178.96243 11.97766 3.06195 -179.15075 1132.64598
525.0000 -190.22642 -177.41876 12.80766 3.10291 -178.39022 1174.47576
530.0000 -191.84103 -180.01386 11.82718 3.04426 -179.47913 1098.00485
535.0000 -191.78437 -180.32098 11.46339 2.98030 -180.66678 1058.36703
540.0000 -192.23888 -181.51869 10.72019 2.96434 -180.96302 1048.19294
545.0000 -189.72447 -181.04956 8.67491 2.95564 -181.12452 1043.60553
550.0000 -190.96167 -179.33918 11.62249 2.99334 -180.42456 1062.17766
555.0000 -190.42846 -179.12601 11.30245 3.04389 -179.48604 1068.80019
560.0000 -191.00031 -178.54825 12.45207 3.04762 -179.41682 1123.50823
565.0000 -189.88720 -178.31174 11.57546 3.09568 -178.52445 1119.89866
570.0000 -188.78943 -178.70195 10.08748 3.08611 -178.70214 1111.57070
575.0000 -191.48768 -179.89791 11.58977 3.02671 -179.80499 1068.67365
580.0000 -190.13213 -178.49128 11.64085 3.02954 -179.75240 1070.61814
585.0000 -189.70464 -178.30207 11.40257 3.01775 -179.97138 1087.71306
590.0000 -189.77437 -178.73732 11.03705 3.10292 -178.39009 1108.94174
595.0000 -190.78614 -179.23577 11.55037 3.14228 -177.65929 1138.23442
600.0000 -189.86200 -179.83003 10.03197 3.08708 -178.68421 1129.25183
605.0000 -192.58128 -179.91308 12.66819 3.01507 -180.02108 1071.48503
610.0000 -191.87240 -179.13365 12.73875 3.06405 -179.11177 1084.03629
615.0000 -191.74420 -179.12471 12.61949 3.08933 -178.64233 1155.82143
620.0000 -189.52137 -176.81714 12.70422 3.11177 -178.22583 1128.35978
625.0000 -189.98297 -177.71559 12.26738 3.15773 -177.37246 1171.10871
630.0000 -189.95113 -179.21701 10.73412 3.15004 -177.51523 1184.82356
635.0000 -191.66566 -180.34099 11.32467 3.00587 -180.19187 1077.93692
640.0000 -190.94300 -179.98831 10.95470 2.95539 -181.12918 1020.60925
645.0000 -190.86829 -179.33023 11.53806 3.04915 -179.38844 1109.68063
650.0000 -190.12691 -180.04729 10.07963 2.99009 -180.48490 1056.15272
655.0000 -191.55837 -180.01521 11.54316 3.01181 -180.08160 1081.87887
660.0000 -191.09791 -179.33299 11.76493 2.95778 -181.08476 1029.55288
665.0000 -192.29476 -180.25331 12.04145 3.04661 -179.43560 1082.22898
670.0000 -192.58535 -181.49789 11.08746 2.88444 -182.44638 980.52877
675.0000 -193.99161 -182.44519 11.54642 2.92826 -181.63296 1041.96257
680.0000 -190.10363 -179.96546 10.13817 2.95267 -181.17967 1048.64598
685.0000 -190.89164 -179.47478 11.41687 3.06033 -179.18076 1080.48356
690.0000 -190.87225 -179.00762 11.86463 3.11576 -178.15167 1150.24676
695.0000 -190.47482 -179.32198 11.15285 3.09071 -178.61672 1130.15476
700.0000 -191.26066 -180.48658 10.77408 3.03063 -179.73231 1060.50514
705.0000 -190.16777 -178.92829 11.23948 3.03227 -179.70179 1063.79410
710.0000 -187.21163 -177.26284 9.94879 3.04117 -179.53647 1045.57119
715.0000 -188.01273 -175.99897 12.01375 3.26110 -175.45324 1222.98540
720.0000 -189.08694 -177.38262 11.70432 3.15085 -177.50025 1146.37154
725.0000 -191.79578 -180.54933 11.24645 3.09496 -178.53787 1120.30588
730.0000 -191.34111 -181.30892 10.03218 2.96762 -180.90210 1060.82029
735.0000 -191.87740 -182.42942 9.44798 2.98841 -180.51610 1080.51044
740.0000 -191.04853 -180.98875 10.05978 2.97582 -180.74979 1041.71738
745.0000 -188.69176 -178.10251 10.58925 3.03463 -179.65793 1105.00491
750.0000 -191.01023 -179.87284 11.13739 3.08368 -178.74721 1101.29968
FREEZING PROCESS: loop number 4 T-loop= 1034.0000000000000
main_MD> interactions number 4 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82996 -0.22426 -3.78853
force_rgl> df(natom) -1.42134 2.84552 -0.98083
755.0000 -192.59474 -182.06145 10.53329 2.90686 -182.03018 996.58255
760.0000 -193.74352 -183.25713 10.48639 2.86178 -182.86714 952.93752
765.0000 -192.22164 -181.84872 10.37292 2.91372 -181.90292 994.84300
770.0000 -192.56031 -182.32387 10.23644 2.87144 -182.68785 970.28750
775.0000 -190.79557 -179.67435 11.12122 2.92828 -181.63257 1035.57974
780.0000 -190.58386 -179.07970 11.50415 3.06203 -179.14918 1125.15022
785.0000 -191.80060 -180.70136 11.09924 2.96650 -180.92297 1052.09718
790.0000 -191.67841 -180.35706 11.32135 2.98854 -180.51365 1040.61749
795.0000 -191.55195 -180.15777 11.39418 2.95339 -181.16640 1057.59838
800.0000 -190.50046 -179.03655 11.46391 3.02753 -179.78987 1068.30881
805.0000 -190.95213 -179.93143 11.02070 3.08144 -178.78895 1133.50938
810.0000 -191.65567 -180.19671 11.45897 3.00215 -180.26106 1049.86796
815.0000 -189.85871 -180.25204 9.60666 2.98461 -180.58665 1069.40295
820.0000 -192.32179 -181.73074 10.59105 2.94263 -181.36603 1059.01395
825.0000 -191.58019 -177.42922 14.15097 3.03444 -179.66148 1104.35644
830.0000 -190.79036 -179.47256 11.31780 3.07845 -178.84436 1110.33986
835.0000 -190.40647 -178.85483 11.55164 2.99410 -180.41048 1043.79399
840.0000 -190.58546 -180.10669 10.47877 3.07388 -178.92924 1122.35528
845.0000 -190.75555 -178.54165 12.21390 3.00840 -180.14502 1074.25491
850.0000 -193.26093 -181.24860 12.01234 2.99508 -180.39226 1060.86591
855.0000 -191.28750 -180.66299 10.62451 2.95488 -181.13858 1006.90461
860.0000 -190.33562 -180.97912 9.35650 2.95241 -181.18457 1034.66775
865.0000 -190.78382 -180.93318 9.85065 2.95900 -181.06216 1009.39154
870.0000 -191.26686 -179.94594 11.32092 2.96906 -180.87541 1054.93976
875.0000 -191.17183 -180.41872 10.75312 3.04983 -179.37569 1107.63432
880.0000 -191.87514 -181.59281 10.28232 2.97534 -180.75876 1060.27392
885.0000 -194.20866 -184.02406 10.18460 2.85411 -183.00963 978.33999
890.0000 -192.54260 -181.60861 10.93399 2.89191 -182.30781 1015.94633
895.0000 -192.25646 -181.90800 10.34845 2.93580 -181.49298 1009.28157
900.0000 -191.39513 -181.93677 9.45836 2.97280 -180.80602 1063.61842
905.0000 -192.46434 -182.55086 9.91347 2.91639 -181.85333 1038.70480
910.0000 -191.04991 -180.43253 10.61738 2.90334 -182.09549 1012.50070
915.0000 -193.10049 -182.84509 10.25540 2.93536 -181.50110 1040.49128
920.0000 -191.96761 -182.41416 9.55345 2.87364 -182.64689 961.83290
925.0000 -191.94291 -181.38298 10.55992 2.90996 -181.97270 1004.67719
930.0000 -193.05191 -183.39195 9.65997 2.89941 -182.16844 1000.55154
935.0000 -189.97839 -180.84946 9.12893 2.92972 -181.60575 1004.92122
940.0000 -191.13709 -179.79807 11.33902 3.01609 -180.00216 1057.15217
945.0000 -191.22615 -178.64737 12.57878 3.03938 -179.56978 1093.34281
950.0000 -191.22973 -180.02282 11.20690 3.01951 -179.93873 1101.13488
955.0000 -190.39866 -177.55017 12.84849 3.04611 -179.44493 1102.40731
960.0000 -193.54050 -182.10658 11.43392 3.01558 -180.01176 1050.83388
965.0000 -192.77068 -182.55605 10.21464 2.90597 -182.04682 1008.44343
970.0000 -192.14486 -181.54831 10.59655 2.92841 -181.63019 1006.84874
975.0000 -193.29595 -183.74021 9.55574 2.85467 -182.99918 986.66616
980.0000 -191.94983 -181.48510 10.46472 2.83831 -183.30298 962.49575
985.0000 -191.93959 -181.37572 10.56387 2.94522 -181.31807 979.48063
990.0000 -194.02247 -182.96061 11.06186 2.91852 -181.81380 998.27993
995.0000 -193.66598 -183.36444 10.30155 2.86700 -182.77030 982.42546
1000.0000 -190.96242 -181.08161 9.88080 2.87277 -182.66305 988.21001
FREEZING PROCESS: loop number 5 T-loop= 1009.0000000000000
main_MD> interactions number 5 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62353 1.23219 -1.86150
force_rgl> df(natom) -1.55379 3.13361 1.25241
1005.0000 -192.97512 -182.56511 10.41001 2.89111 -182.32257 973.16620
1010.0000 -191.35522 -178.77493 12.58030 2.94977 -181.23349 1047.75231
1015.0000 -189.57017 -178.61722 10.95295 3.11674 -178.13346 1117.60304
1020.0000 -191.81717 -181.05882 10.75834 3.05617 -179.25809 1040.43608
1025.0000 -191.12944 -179.47352 11.65592 3.01490 -180.02423 1066.36536
1030.0000 -192.11456 -181.32832 10.78624 2.97096 -180.84002 1050.38702
1035.0000 -192.98227 -183.51508 9.46719 2.86916 -182.73024 972.90044
1040.0000 -193.74678 -185.53840 8.20838 2.79131 -184.17552 924.76824
1045.0000 -192.47171 -182.18019 10.29152 2.75102 -184.92363 899.03382
1050.0000 -192.13873 -181.64446 10.49427 2.94081 -181.39981 1022.45151
1055.0000 -192.67028 -183.60140 9.06888 2.94930 -181.24226 1034.13660
1060.0000 -195.36743 -184.96925 10.39818 2.79336 -184.13747 928.24145
1065.0000 -194.40855 -185.41945 8.98910 2.75345 -184.87855 900.32872
1070.0000 -193.54139 -182.65488 10.88650 2.80093 -183.99687 944.95527
1075.0000 -192.89746 -182.89893 9.99852 2.83279 -183.40536 994.14524
1080.0000 -192.66245 -182.34937 10.31308 2.86210 -182.86123 996.21352
1085.0000 -194.46310 -183.54647 10.91663 2.86976 -182.71904 984.80630
1090.0000 -191.61579 -180.64767 10.96813 2.94119 -181.39274 1020.63372
1095.0000 -192.25434 -182.20775 10.04659 2.90675 -182.03225 985.06929
1100.0000 -190.21285 -180.38409 9.82875 2.96227 -181.00148 1056.97992
1105.0000 -192.35450 -183.05032 9.30418 2.91074 -181.95816 1004.82385
1110.0000 -193.22825 -180.34663 12.88163 2.93629 -181.48370 1019.24342
1115.0000 -190.69477 -180.94802 9.74676 2.98523 -180.57520 1089.11395
1120.0000 -191.23620 -180.90566 10.33054 2.94686 -181.28754 1029.82274
1125.0000 -191.75098 -180.57405 11.17692 2.97764 -180.71607 1027.75385
1130.0000 -194.41220 -184.41383 9.99836 2.89145 -182.31640 991.85851
1135.0000 -193.15040 -184.21537 8.93502 2.76174 -184.72461 881.75619
1140.0000 -195.41945 -185.31084 10.10860 2.72224 -185.45790 870.38079
1145.0000 -192.54407 -182.15394 10.39013 2.84464 -183.18534 994.87179
1150.0000 -195.84289 -185.06506 10.77783 2.80000 -184.01426 948.44723
1155.0000 -193.47907 -183.56858 9.91049 2.83758 -183.31649 967.38881
1160.0000 -192.60231 -182.26080 10.34151 2.83686 -183.32991 972.24390
1165.0000 -193.90036 -184.02671 9.87364 2.80956 -183.83663 930.78130
1170.0000 -194.66221 -183.49298 11.16923 2.86178 -182.86719 986.20001
1175.0000 -194.93499 -185.45283 9.48216 2.78669 -184.26137 941.08849
1180.0000 -192.48392 -183.31484 9.16909 2.78931 -184.21266 928.22309
1185.0000 -192.04206 -182.74124 9.30083 2.82547 -183.54126 939.79670
1190.0000 -191.93679 -180.17477 11.76202 2.90879 -181.99437 989.05467
1195.0000 -192.87185 -182.88165 9.99020 2.90004 -182.15689 986.49615
1200.0000 -191.49442 -181.49663 9.99779 2.94331 -181.35338 1029.76969
1205.0000 -193.81211 -184.12056 9.69155 2.89111 -182.32253 987.47374
1210.0000 -191.56488 -181.39122 10.17366 2.87874 -182.55223 953.65008
1215.0000 -190.15964 -176.87460 13.28504 3.05489 -179.28182 1095.98057
1220.0000 -192.03421 -180.85556 11.17865 3.07212 -178.96201 1100.20885
1225.0000 -192.72075 -181.74791 10.97284 2.86600 -182.78891 988.81881
1230.0000 -191.60856 -180.96793 10.64063 2.97646 -180.73806 1022.91656
1235.0000 -193.88006 -184.48786 9.39221 2.90269 -182.10755 989.03405
1240.0000 -192.57142 -182.64617 9.92525 2.86481 -182.81092 975.31842
1245.0000 -191.37538 -179.21682 12.15856 2.95717 -181.09609 1021.36540
1250.0000 -190.47244 -180.12533 10.34710 2.99481 -180.39728 1059.62356
FREEZING PROCESS: loop number 6 T-loop= 984.00000000000000
main_MD> interactions number 6 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77998 -1.18730 -0.39892
force_rgl> df(natom) 6.27654 0.56652 -1.72556
1255.0000 -190.31049 -180.96460 9.34589 3.06023 -179.18262 1082.41499
1260.0000 -194.08600 -182.96500 11.12100 2.91890 -181.80665 999.83388
1265.0000 -192.15964 -183.13979 9.01984 2.93197 -181.56398 1031.15853
1270.0000 -192.07827 -183.12568 8.95259 2.82721 -183.50905 961.58414
1275.0000 -192.01007 -181.55796 10.45211 2.89820 -182.19097 997.07687
1280.0000 -193.60836 -183.03726 10.57109 2.88456 -182.44417 981.83007
1285.0000 -192.24688 -183.52742 8.71946 2.82330 -183.58153 930.90805
1290.0000 -193.77267 -183.37492 10.39775 2.83394 -183.38397 955.34384
1295.0000 -192.92836 -182.84007 10.08829 2.84430 -183.19165 979.30545
1300.0000 -192.85722 -182.45715 10.40007 2.87084 -182.69892 980.59064
1305.0000 -193.87436 -185.01368 8.86068 2.82412 -183.56630 940.84276
1310.0000 -193.77497 -186.53324 7.24174 2.73255 -185.26660 904.79148
1315.0000 -194.23228 -184.13154 10.10074 2.71595 -185.57470 903.83494
1320.0000 -192.05505 -181.75711 10.29794 2.91318 -181.91286 1002.47019
1325.0000 -192.63428 -181.48191 11.15237 2.94577 -181.30780 1036.05535
1330.0000 -193.56964 -182.35686 11.21278 2.97692 -180.72943 1076.76333
1335.0000 -192.06092 -183.14127 8.91964 2.87493 -182.62309 973.65639
1340.0000 -192.03377 -179.92945 12.10432 2.94630 -181.29794 1039.34394
1345.0000 -191.67951 -179.85134 11.82817 3.04812 -179.40754 1123.77098
1350.0000 -193.29179 -181.79031 11.50148 2.96386 -180.97185 1044.09173
1355.0000 -191.97734 -181.67802 10.29932 2.92254 -181.73910 998.77046
1360.0000 -192.11691 -181.95960 10.15731 2.85548 -182.98418 949.46395
1365.0000 -192.04406 -182.30734 9.73672 2.91150 -181.94397 1006.94776
1370.0000 -192.82135 -183.28496 9.53640 2.88649 -182.40832 1001.62477
1375.0000 -191.95845 -181.05310 10.90535 2.89221 -182.30222 1017.06149
1380.0000 -194.54370 -184.59571 9.94799 2.85384 -183.01455 968.29810
1385.0000 -194.75936 -185.65598 9.10338 2.72698 -185.36997 905.60885
1390.0000 -194.32681 -184.69566 9.63115 2.73113 -185.29291 884.06654
1395.0000 -191.22590 -181.20503 10.02087 2.85928 -182.91363 928.91640
1400.0000 -193.09543 -183.83102 9.26442 2.91691 -181.84365 1022.68491
1405.0000 -192.06941 -183.20344 8.86597 2.83968 -183.27743 965.96193
1410.0000 -192.34291 -183.25180 9.09111 2.82335 -183.58077 925.94479
1415.0000 -194.12580 -184.24300 9.88280 2.90499 -182.06492 996.18526
1420.0000 -192.19913 -181.81356 10.38557 2.85472 -182.99829 978.89161
1425.0000 -191.50713 -182.72952 8.77761 2.83667 -183.33344 967.43821
1430.0000 -192.67037 -183.59435 9.07602 2.86546 -182.79881 980.29426
1435.0000 -193.05734 -182.14451 10.91283 2.85550 -182.98384 986.46898
1440.0000 -193.78602 -182.56840 11.21762 2.85913 -182.91643 981.23650
1445.0000 -192.49933 -182.49811 10.00122 2.87687 -182.58705 994.65584
1450.0000 -192.79395 -185.45814 7.33582 2.80626 -183.89792 953.41814
1455.0000 -195.61277 -185.79399 9.81877 2.74727 -184.99319 902.22176
1460.0000 -195.14866 -185.08526 10.06341 2.72790 -185.35291 886.30760
1465.0000 -193.19380 -184.39879 8.79502 2.73551 -185.21161 916.80666
1470.0000 -192.98176 -182.21011 10.77165 2.87865 -182.55398 989.38894
1475.0000 -192.38876 -182.87794 9.51082 2.89980 -182.16131 1008.50914
1480.0000 -192.73294 -183.21835 9.51459 2.90606 -182.04513 989.06152
1485.0000 -190.85135 -180.40546 10.44589 2.91634 -181.85416 999.11098
1490.0000 -191.50676 -181.76397 9.74279 2.92647 -181.66607 1006.19963
1495.0000 -193.52431 -185.12664 8.39767 2.88321 -182.46935 1005.85686
1500.0000 -192.82211 -182.35882 10.46329 2.84073 -183.25802 958.83967
FREEZING PROCESS: loop number 7 T-loop= 959.00000000000000
main_MD> interactions number 7 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70678 -0.92820 0.73952
force_rgl> df(natom) -2.33851 -1.91495 -1.18139
1505.0000 -194.02076 -182.73554 11.28522 2.84532 -183.17275 960.33009
1510.0000 -193.68426 -184.31411 9.37015 2.87057 -182.70397 992.48506
1515.0000 -194.29158 -184.54632 9.74526 2.81646 -183.70861 953.42394
1520.0000 -194.25593 -185.34503 8.91089 2.78978 -184.20393 928.89142
1525.0000 -194.41521 -184.98910 9.42611 2.75259 -184.89452 923.88195
1530.0000 -194.68446 -184.26874 10.41572 2.76470 -184.66952 930.27653
1535.0000 -192.82422 -182.70819 10.11603 2.83363 -183.38982 939.25198
1540.0000 -194.40954 -184.28662 10.12292 2.86922 -182.72896 994.40603
1545.0000 -193.96875 -185.06858 8.90017 2.73691 -185.18553 889.72128
1550.0000 -194.03732 -185.26152 8.77579 2.72969 -185.31954 885.35650
1555.0000 -193.81756 -185.29763 8.51992 2.73884 -185.14976 896.77191
1560.0000 -194.85475 -186.51890 8.33585 2.72134 -185.47470 895.22615
1565.0000 -194.30302 -184.91075 9.39227 2.71077 -185.67095 867.00534
1570.0000 -193.50781 -184.07761 9.43020 2.75484 -184.85258 928.31782
1575.0000 -192.85417 -184.08142 8.77276 2.77866 -184.41039 939.28523
1580.0000 -193.49267 -185.11021 8.38246 2.80230 -183.97157 967.28699
1585.0000 -192.48559 -183.88485 8.60074 2.73038 -185.30684 879.08556
1590.0000 -192.86646 -183.48830 9.37816 2.84876 -183.10883 954.04575
1595.0000 -192.70362 -181.92356 10.78005 2.88700 -182.39896 1018.36103
1600.0000 -191.56839 -182.20957 9.35883 2.86225 -182.85838 974.21639
1605.0000 -192.95408 -183.20350 9.75057 2.85018 -183.08247 920.84769
1610.0000 -192.56094 -182.29415 10.26679 2.88343 -182.46513 976.72847
1615.0000 -193.49279 -182.28096 11.21183 2.83727 -183.32221 956.89310
1620.0000 -191.93922 -182.27420 9.66502 2.89584 -182.23484 1008.24092
1625.0000 -195.05164 -185.66487 9.38677 2.81238 -183.78438 918.59185
1630.0000 -194.43387 -184.66439 9.76948 2.78329 -184.32453 935.48771
1635.0000 -193.08900 -183.94977 9.13922 2.77338 -184.50847 930.46636
1640.0000 -193.97986 -183.73215 10.24772 2.76089 -184.74036 916.62201
1645.0000 -194.91713 -184.61372 10.30341 2.77718 -184.43788 930.27755
1650.0000 -193.95794 -183.80696 10.15098 2.76034 -184.75050 924.84601
1655.0000 -195.60837 -186.49849 9.10987 2.73193 -185.27806 898.16448
1660.0000 -192.79967 -183.64152 9.15815 2.74173 -185.09603 905.46598
1665.0000 -194.50410 -181.59278 12.91132 2.86160 -182.87043 976.28098
1670.0000 -192.78731 -183.51408 9.27323 2.83809 -183.30708 954.69908
1675.0000 -194.52929 -182.48810 12.04119 2.85963 -182.90710 981.21264
1680.0000 -192.71582 -181.13968 11.57614 2.99577 -180.37950 1051.52403
1685.0000 -191.94174 -181.09606 10.84568 2.91244 -181.92660 967.27246
1690.0000 -193.59918 -183.24033 10.35885 2.91733 -181.83579 1007.72721
1695.0000 -192.93063 -183.52951 9.40111 2.84789 -183.12508 949.58012
1700.0000 -193.89469 -184.43148 9.46321 2.83656 -183.33535 939.49309
1705.0000 -193.73403 -181.53304 12.20099 2.86158 -182.87084 985.84112
1710.0000 -191.66877 -182.30578 9.36300 2.88558 -182.42525 981.09641
1715.0000 -195.58035 -186.03422 9.54613 2.77045 -184.56288 889.18644
1720.0000 -195.39930 -186.05348 9.34582 2.64706 -186.85367 838.71094
1725.0000 -194.42747 -184.94886 9.47861 2.77262 -184.52260 929.45619
1730.0000 -194.84550 -184.79764 10.04786 2.75215 -184.90258 906.46941
1735.0000 -194.58900 -184.49118 10.09783 2.75533 -184.84354 923.25417
1740.0000 -193.64124 -183.92464 9.71660 2.80585 -183.90563 929.79999
1745.0000 -193.84602 -184.56717 9.27885 2.79158 -184.17050 938.97610
1750.0000 -193.27375 -185.09639 8.17737 2.75020 -184.93879 924.69396
FREEZING PROCESS: loop number 8 T-loop= 934.00000000000000
main_MD> interactions number 8 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.91551 2.31142 4.30711
force_rgl> df(natom) 1.45511 -1.33174 -0.72595
1755.0000 -193.80865 -185.02569 8.78296 2.69235 -186.01281 850.00743
1760.0000 -194.58340 -185.67520 8.90820 2.72155 -185.47070 862.76070
1765.0000 -196.52093 -187.59985 8.92108 2.65342 -186.73562 830.35648
1770.0000 -195.07172 -184.36429 10.70743 2.72651 -185.37858 902.04775
1775.0000 -194.60278 -185.56710 9.03568 2.77478 -184.48252 909.75565
1780.0000 -192.56649 -183.26750 9.29899 2.77089 -184.55467 908.56615
1785.0000 -194.47300 -183.83873 10.63427 2.82244 -183.59752 965.23729
1790.0000 -192.18072 -182.68895 9.49178 2.85792 -182.93887 972.80276
1795.0000 -192.69168 -181.26199 11.42968 2.92236 -181.74250 1021.11549
1800.0000 -192.29948 -182.52177 9.77771 2.91314 -181.91357 1013.38576
1805.0000 -194.31866 -184.38967 9.92899 2.81938 -183.65442 969.21412
1810.0000 -192.50920 -184.00480 8.50440 2.77374 -184.50184 881.58471
1815.0000 -194.91434 -185.09309 9.82125 2.73103 -185.29466 878.92598
1820.0000 -194.81737 -186.56689 8.25049 2.64767 -186.84244 862.48504
1825.0000 -192.64777 -185.55222 7.09556 2.74196 -185.09175 896.83246
1830.0000 -193.25332 -182.85895 10.39438 2.82501 -183.54993 965.76367
1835.0000 -193.25161 -183.55924 9.69236 2.81713 -183.69609 942.81675
1840.0000 -191.69773 -182.28118 9.41655 2.88000 -182.52899 1014.59197
1845.0000 -192.06975 -181.44838 10.62137 2.91543 -181.87104 998.78959
1850.0000 -194.75379 -184.65607 10.09772 2.80374 -183.94484 928.28019
1855.0000 -193.85029 -185.13046 8.71983 2.74926 -184.95635 898.39604
1860.0000 -194.69966 -185.75225 8.94741 2.74462 -185.04238 894.19691
1865.0000 -193.83736 -183.45183 10.38552 2.73404 -185.23885 904.30898
1870.0000 -194.39314 -184.50073 9.89241 2.79947 -184.02402 926.38436
1875.0000 -193.74612 -185.18844 8.55768 2.73503 -185.22039 906.68345
1880.0000 -193.63834 -183.23719 10.40115 2.77923 -184.39986 933.34106
1885.0000 -194.29863 -185.43444 8.86419 2.81879 -183.66532 944.62972
1890.0000 -193.75231 -183.37698 10.37533 2.77593 -184.46104 934.06454
1895.0000 -195.09878 -186.17949 8.91929 2.71253 -185.63825 897.52453
1900.0000 -195.27214 -184.85552 10.41661 2.75424 -184.86386 909.13491
1905.0000 -193.44666 -183.63150 9.81516 2.78871 -184.22386 946.70177
1910.0000 -195.44776 -185.33399 10.11376 2.80112 -183.99339 939.26707
1915.0000 -194.07402 -185.87702 8.19701 2.71493 -185.59357 897.54668
1920.0000 -195.33977 -186.35121 8.98856 2.70731 -185.73517 871.23848
1925.0000 -195.03379 -186.08670 8.94708 2.67030 -186.42226 844.92322
1930.0000 -193.95569 -184.63498 9.32071 2.76323 -184.69690 903.45736
1935.0000 -193.18975 -183.67270 9.51705 2.79764 -184.05796 937.18985
1940.0000 -193.76194 -184.27575 9.48619 2.74309 -185.07073 915.61723
1945.0000 -193.13477 -183.43375 9.70103 2.80085 -183.99836 933.71950
1950.0000 -193.88042 -183.42344 10.45697 2.81903 -183.66083 944.89982
1955.0000 -194.51239 -184.05484 10.45755 2.85111 -183.06528 959.52817
1960.0000 -193.44450 -184.60525 8.83925 2.81726 -183.69377 953.64057
1965.0000 -194.65091 -183.82116 10.82976 2.76067 -184.74440 911.10904
1970.0000 -193.15036 -182.82683 10.32353 2.82583 -183.53465 964.61323
1975.0000 -191.89364 -181.71082 10.18282 2.81138 -183.80293 926.46614
1980.0000 -193.58443 -182.64167 10.94276 2.91896 -181.80557 990.15567
1985.0000 -192.71931 -183.17251 9.54680 2.84981 -183.08940 966.60280
1990.0000 -192.52168 -183.46116 9.06052 2.84845 -183.11465 946.01566
1995.0000 -194.52628 -184.85019 9.67609 2.74812 -184.97734 923.61969
2000.0000 -193.04790 -183.68160 9.36630 2.77544 -184.47027 927.79992
FREEZING PROCESS: loop number 9 T-loop= 909.00000000000000
main_MD> interactions number 9 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04404 -1.63332 3.31146
force_rgl> df(natom) 1.75682 -3.66384 3.04058
2005.0000 -193.67262 -185.22952 8.44310 2.77608 -184.45840 905.98732
2010.0000 -194.67743 -184.97073 9.70670 2.71324 -185.62505 870.29341
2015.0000 -193.50274 -184.18747 9.31527 2.80011 -184.01217 931.67998
2020.0000 -193.04350 -184.19738 8.84612 2.81313 -183.77048 955.88571
2025.0000 -191.78605 -182.08174 9.70431 2.82818 -183.49103 955.83211
2030.0000 -194.94448 -186.44462 8.49986 2.76802 -184.60797 897.84365
2035.0000 -194.91426 -185.19150 9.72276 2.70821 -185.71835 901.15361
2040.0000 -193.48465 -184.27358 9.21107 2.76738 -184.61987 924.30210
2045.0000 -194.88756 -185.66019 9.22737 2.75401 -184.86799 940.65932
2050.0000 -195.44645 -185.96870 9.47776 2.67086 -186.41195 846.78910
2055.0000 -193.33481 -184.48669 8.84812 2.75712 -184.81034 906.09415
2060.0000 -193.80539 -183.70831 10.09708 2.75811 -184.79191 908.66111
2065.0000 -194.42466 -185.64992 8.77474 2.75536 -184.84300 902.48107
2070.0000 -194.40843 -185.96745 8.44098 2.68883 -186.07823 850.41997
2075.0000 -194.91741 -184.71670 10.20072 2.69772 -185.91319 869.44733
2080.0000 -195.50798 -185.73694 9.77105 2.70616 -185.75654 894.14310
2085.0000 -194.51790 -185.11180 9.40610 2.74456 -185.04347 913.74947
2090.0000 -192.71981 -183.55770 9.16211 2.78011 -184.38356 921.51714
2095.0000 -192.53035 -182.66015 9.87019 2.82864 -183.48255 953.45700
2100.0000 -192.55677 -181.93438 10.62239 2.91369 -181.90330 1001.63046
2105.0000 -192.39461 -182.13439 10.26022 2.88528 -182.43095 979.66943
2110.0000 -193.32556 -183.99624 9.32932 2.82194 -183.60692 948.75027
2115.0000 -193.13762 -184.99508 8.14254 2.79616 -184.08544 906.93293
2120.0000 -192.65714 -183.44768 9.20946 2.78969 -184.20555 926.84793
2125.0000 -193.44344 -185.48466 7.95878 2.78175 -184.35304 932.42545
2130.0000 -193.81407 -184.32093 9.49313 2.78862 -184.22545 925.07312
2135.0000 -194.83525 -186.25843 8.57682 2.77276 -184.51992 932.19365
2140.0000 -193.75300 -184.94057 8.81243 2.72367 -185.43135 860.00621
2145.0000 -193.20418 -183.38336 9.82082 2.77800 -184.42264 922.63014
2150.0000 -193.09145 -182.38289 10.70856 2.84784 -183.12595 985.95258
2155.0000 -193.47360 -183.86047 9.61314 2.87673 -182.58957 990.09062
2160.0000 -195.77881 -186.58063 9.19819 2.71122 -185.66249 883.57610
2165.0000 -192.77553 -182.49528 10.28025 2.74724 -184.99370 918.04009
2170.0000 -192.45956 -183.35519 9.10437 2.80040 -184.00670 937.41906
2175.0000 -192.58535 -183.31871 9.26664 2.80196 -183.97779 941.01913
2180.0000 -194.45918 -184.96438 9.49480 2.77730 -184.43570 924.10154
2185.0000 -194.23148 -184.94056 9.29092 2.70574 -185.76429 861.61913
2190.0000 -193.19357 -183.58863 9.60494 2.71187 -185.65055 874.43940
2195.0000 -192.26823 -182.37048 9.89775 2.85607 -182.97324 986.05084
2200.0000 -191.33296 -181.98441 9.34855 2.89936 -182.16949 1000.55278
2205.0000 -194.63541 -185.19113 9.44427 2.86404 -182.82513 970.23330
2210.0000 -193.02661 -184.45400 8.57261 2.73001 -185.31360 872.36364
2215.0000 -193.72955 -184.98480 8.74476 2.72954 -185.32236 874.03095
2220.0000 -194.74767 -186.31336 8.43431 2.71058 -185.67438 875.00264
2225.0000 -193.49475 -184.42147 9.07328 2.76552 -184.65434 900.46489
2230.0000 -195.26404 -185.57302 9.69102 2.72627 -185.38309 886.51279
2235.0000 -195.40528 -185.22167 10.18361 2.74655 -185.00666 923.18645
2240.0000 -193.64743 -185.19503 8.45241 2.72625 -185.38352 895.81937
2245.0000 -192.88167 -184.47082 8.41085 2.76676 -184.63136 883.69047
2250.0000 -193.37598 -184.33227 9.04371 2.73775 -185.16992 872.95348
FREEZING PROCESS: loop number 10 T-loop= 884.00000000000000
main_MD> interactions number 10 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17420 -0.01879 -0.56971
force_rgl> df(natom) 2.27139 1.38687 0.12558
2255.0000 -193.52155 -184.29166 9.22989 2.78916 -184.21547 893.82162
2260.0000 -195.34526 -187.63320 7.71206 2.69867 -185.89551 866.80817
2265.0000 -196.73837 -188.17900 8.55937 2.55202 -188.61831 776.38280
2270.0000 -196.14687 -185.53315 10.61372 2.61537 -187.44211 848.41982
2275.0000 -192.24221 -183.17062 9.07159 2.77673 -184.44627 941.33780
2280.0000 -195.07695 -184.52930 10.54765 2.77479 -184.48235 928.26702
2285.0000 -195.77001 -187.22207 8.54794 2.66098 -186.59527 875.45904
2290.0000 -196.71571 -188.57549 8.14022 2.63802 -187.02163 834.16100
2295.0000 -197.22340 -188.29337 8.93003 2.53867 -188.86607 777.68617
2300.0000 -194.54102 -186.75712 7.78390 2.64169 -186.95350 841.57623
2305.0000 -193.44207 -184.58802 8.85406 2.72137 -185.47415 881.85087
2310.0000 -195.10197 -185.54308 9.55889 2.71922 -185.51394 865.64205
2315.0000 -194.34105 -184.66566 9.67538 2.70797 -185.72283 864.44057
2320.0000 -195.57233 -187.04969 8.52265 2.69036 -186.04988 856.02560
2325.0000 -194.26809 -185.58738 8.68071 2.64641 -186.86585 863.24473
2330.0000 -195.82219 -186.19213 9.63006 2.67665 -186.30434 876.60109
2335.0000 -195.85307 -186.86649 8.98658 2.62675 -187.23087 825.19712
2340.0000 -193.20885 -185.36376 7.84509 2.66168 -186.58226 860.48765
2345.0000 -193.62250 -183.79183 9.83067 2.80467 -183.92759 950.88159
2350.0000 -194.18318 -185.07723 9.10595 2.74923 -184.95684 896.54478
2355.0000 -196.16838 -185.56268 10.60570 2.69612 -185.94280 857.54939
2360.0000 -194.93118 -185.59798 9.33321 2.73701 -185.18370 899.28998
2365.0000 -195.44771 -187.04045 8.40726 2.67414 -186.35104 854.78921
2370.0000 -194.06837 -185.29709 8.77128 2.70781 -185.72588 884.47958
2375.0000 -194.39429 -185.22653 9.16776 2.76486 -184.66667 923.68784
2380.0000 -193.89354 -184.89918 8.99437 2.78479 -184.29660 926.21614
2385.0000 -195.50886 -186.02846 9.48040 2.72427 -185.42030 892.25934
2390.0000 -196.05984 -186.99117 9.06866 2.66046 -186.60489 849.87151
2395.0000 -194.23138 -185.26380 8.96758 2.74135 -185.10321 914.37047
2400.0000 -194.78105 -185.94865 8.83240 2.71240 -185.64057 856.05451
2405.0000 -193.69849 -183.51513 10.18336 2.75952 -184.76578 925.83511
2410.0000 -193.64508 -184.44693 9.19814 2.85947 -182.91014 945.52996
2415.0000 -193.87318 -183.59619 10.27698 2.79257 -184.15210 902.09574
2420.0000 -193.46726 -184.02748 9.43978 2.78972 -184.20509 941.78931
2425.0000 -194.16361 -184.86985 9.29376 2.73371 -185.24497 912.66534
2430.0000 -194.46706 -185.47297 8.99409 2.69332 -185.99487 866.34567
2435.0000 -193.57069 -183.80316 9.76753 2.74822 -184.97550 895.17254
2440.0000 -195.18329 -185.44878 9.73450 2.72311 -185.44174 867.42566
2445.0000 -193.63183 -183.18192 10.44992 2.82698 -183.51323 937.49135
2450.0000 -194.74186 -185.73692 9.00493 2.75135 -184.91747 933.62927
2455.0000 -196.76654 -186.68483 10.08171 2.71853 -185.52675 916.77796
2460.0000 -194.24886 -185.49018 8.75868 2.69023 -186.05223 882.95847
2465.0000 -197.19204 -188.64106 8.55097 2.60376 -187.65763 797.35165
2470.0000 -195.87477 -186.30364 9.57114 2.62185 -187.32173 837.91330
2475.0000 -193.49563 -185.06517 8.43046 2.68666 -186.11859 860.07167
2480.0000 -192.10894 -181.96488 10.14406 2.79374 -184.13041 956.13838
2485.0000 -194.71727 -185.00413 9.71314 2.77782 -184.42599 909.88771
2490.0000 -196.18277 -186.32953 9.85323 2.67869 -186.26646 847.83620
2495.0000 -196.04803 -188.53051 7.51752 2.66409 -186.53761 859.25256
2500.0000 -196.10994 -187.52633 8.58361 2.55065 -188.64380 798.42219
FREEZING PROCESS: loop number 11 T-loop= 859.00000000000000
main_MD> interactions number 11 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.30725 -0.48336 -1.23047
force_rgl> df(natom) 0.79716 0.27390 3.68773
2505.0000 -196.17890 -187.35392 8.82499 2.62793 -187.20897 833.51319
2510.0000 -195.65848 -187.88357 7.77491 2.59668 -187.78904 832.63809
2515.0000 -194.79541 -186.89135 7.90406 2.61416 -187.46465 810.83313
2520.0000 -195.59817 -186.15175 9.44642 2.62845 -187.19918 855.19883
2525.0000 -196.10065 -187.06596 9.03469 2.66416 -186.53622 868.46618
2530.0000 -196.40141 -187.81981 8.58159 2.64648 -186.86448 862.21063
2535.0000 -196.68189 -187.72432 8.95757 2.57769 -188.14161 757.89553
2540.0000 -196.12051 -187.77560 8.34490 2.58774 -187.95516 798.23751
2545.0000 -195.28985 -185.42434 9.86551 2.70356 -185.80466 900.39344
2550.0000 -194.85963 -185.38964 9.46999 2.67425 -186.34884 865.21229
2555.0000 -194.88442 -185.68606 9.19837 2.74006 -185.12711 901.22367
2560.0000 -194.58800 -185.89613 8.69187 2.67679 -186.30175 865.01659
2565.0000 -194.06520 -185.32265 8.74254 2.72628 -185.38296 905.67977
2570.0000 -195.56237 -186.31481 9.24755 2.71792 -185.53819 899.35004
2575.0000 -194.73192 -185.17124 9.56068 2.67586 -186.31906 868.53454
2580.0000 -193.66192 -183.96179 9.70013 2.76815 -184.60546 895.27389
2585.0000 -193.77317 -183.87610 9.89708 2.75084 -184.92698 899.62550
2590.0000 -191.42367 -182.02851 9.39516 2.84738 -183.13452 982.29320
2595.0000 -192.99318 -184.25666 8.73652 2.82174 -183.61056 953.47821
2600.0000 -193.97949 -184.73413 9.24536 2.77717 -184.43808 895.27944
2605.0000 -193.54133 -183.45587 10.08545 2.78168 -184.35434 924.48993
2610.0000 -192.47638 -183.74956 8.72682 2.76372 -184.68780 925.47596
2615.0000 -194.94744 -185.41456 9.53289 2.71299 -185.62968 864.49785
2620.0000 -195.60119 -186.92023 8.68096 2.66775 -186.46963 827.45842
2625.0000 -195.58331 -186.81847 8.76484 2.63715 -187.03780 805.89040
2630.0000 -196.08390 -187.64495 8.43895 2.61207 -187.50347 804.66800
2635.0000 -195.68145 -186.08240 9.59904 2.65092 -186.78200 838.03956
2640.0000 -194.81419 -186.55712 8.25707 2.67035 -186.42129 839.13921
2645.0000 -195.86469 -187.03103 8.83366 2.64139 -186.95904 843.89729
2650.0000 -195.02756 -186.51549 8.51207 2.66701 -186.48332 857.71448
2655.0000 -195.47620 -187.33507 8.14113 2.62142 -187.32984 815.26854
2660.0000 -194.23559 -186.05201 8.18358 2.62746 -187.21766 815.37881
2665.0000 -194.89885 -184.90755 9.99130 2.68495 -186.15025 859.82029
2670.0000 -194.91071 -185.88742 9.02329 2.72766 -185.35725 893.25225
2675.0000 -196.15375 -187.10228 9.05147 2.66152 -186.58528 864.60672
2680.0000 -196.00094 -186.54256 9.45838 2.62630 -187.23919 823.06509
2685.0000 -195.87959 -187.35813 8.52146 2.66964 -186.43460 854.11541
2690.0000 -196.05208 -188.04898 8.00310 2.63171 -187.13870 808.06929
2695.0000 -195.99790 -187.36685 8.63105 2.61586 -187.43309 810.00954
2700.0000 -194.60924 -186.00868 8.60057 2.70682 -185.74414 882.98659
2705.0000 -195.36180 -186.73243 8.62937 2.66889 -186.44838 852.73937
2710.0000 -194.57823 -186.10774 8.47049 2.66897 -186.44697 858.27602
2715.0000 -198.21937 -188.26957 9.94980 2.59972 -187.73263 826.86128
2720.0000 -194.55353 -187.09291 7.46062 2.59020 -187.90944 822.82599
2725.0000 -194.95060 -186.42564 8.52497 2.63026 -187.16561 811.27105
2730.0000 -196.47425 -186.84832 9.62593 2.65369 -186.73066 827.80795
2735.0000 -195.81191 -186.27519 9.53672 2.67673 -186.30286 841.92097
2740.0000 -195.80999 -185.86529 9.94470 2.71661 -185.56242 871.74350
2745.0000 -196.64737 -188.28509 8.36228 2.64405 -186.90970 821.35139
2750.0000 -195.67199 -187.10442 8.56757 2.64916 -186.81479 828.79344
FREEZING PROCESS: loop number 12 T-loop= 834.00000000000000
main_MD> interactions number 12 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47333 -2.83065 -2.62721
force_rgl> df(natom) -0.48325 2.19390 -2.53225
2755.0000 -195.06242 -187.65840 7.40402 2.63392 -187.09774 830.51001
2760.0000 -196.02398 -185.46783 10.55615 2.66287 -186.56023 848.63901
2765.0000 -194.43309 -185.09187 9.34123 2.76059 -184.74584 909.25326
2770.0000 -194.01794 -186.83367 7.18427 2.74377 -185.05821 868.20038
2775.0000 -197.88632 -189.91519 7.97113 2.55755 -188.51565 776.95272
2780.0000 -195.90697 -187.22141 8.68556 2.52800 -189.06420 750.52065
2785.0000 -196.39234 -188.69837 7.69396 2.57214 -188.24467 801.49504
2790.0000 -196.23414 -187.00952 9.22462 2.57218 -188.24404 787.42716
2795.0000 -195.42292 -186.44074 8.98218 2.66784 -186.46786 867.35578
2800.0000 -196.40594 -188.90877 7.49717 2.64697 -186.85542 831.25315
2805.0000 -198.20210 -188.78103 9.42107 2.57958 -188.10666 808.41598
2810.0000 -195.99960 -188.49284 7.50676 2.50881 -189.42058 753.19836
2815.0000 -196.59127 -188.04908 8.54219 2.56741 -188.33261 815.45336
2820.0000 -197.27213 -188.86389 8.40824 2.60236 -187.68366 809.90445
2825.0000 -195.04355 -187.35277 7.69078 2.63414 -187.09354 847.01295
2830.0000 -195.40588 -186.83496 8.57092 2.59463 -187.82721 787.19769
2835.0000 -196.26612 -186.81466 9.45146 2.64599 -186.87363 827.30580
2840.0000 -196.41864 -187.30901 9.10963 2.66625 -186.49746 848.19046
2845.0000 -194.65221 -185.70094 8.95127 2.67088 -186.41141 872.00306
2850.0000 -196.98681 -187.92036 9.06644 2.65302 -186.74310 837.20537
2855.0000 -197.17503 -189.32470 7.85033 2.55351 -188.59056 763.17165
2860.0000 -195.12118 -186.93858 8.18260 2.55917 -188.48549 783.14993
2865.0000 -195.92159 -187.14663 8.77496 2.64530 -186.88648 835.85967
2870.0000 -197.36336 -189.59798 7.76537 2.56965 -188.29099 814.77529
2875.0000 -197.41476 -189.11048 8.30428 2.53298 -188.97182 755.58213
2880.0000 -195.60696 -187.19072 8.41624 2.59156 -187.88425 809.32048
2885.0000 -195.70254 -187.30982 8.39272 2.63967 -186.99098 836.45571
2890.0000 -195.19218 -186.54028 8.65190 2.64827 -186.83126 839.28326
2895.0000 -195.42411 -186.59629 8.82781 2.70911 -185.70171 892.24380
2900.0000 -196.65617 -189.36272 7.29345 2.59018 -187.90988 785.97505
2905.0000 -197.89446 -190.35013 7.54433 2.51638 -189.28002 756.84691
2910.0000 -196.76139 -187.86388 8.89751 2.55844 -188.49917 794.13656
2915.0000 -196.66351 -188.48376 8.17974 2.52968 -189.03297 792.05255
2920.0000 -195.69225 -187.19267 8.49959 2.58932 -187.92575 814.29663
2925.0000 -196.07967 -186.94598 9.13369 2.63625 -187.05452 828.89541
2930.0000 -197.54478 -188.51999 9.02478 2.62771 -187.21305 828.50463
2935.0000 -194.62083 -185.34216 9.27867 2.64053 -186.97497 844.27636
2940.0000 -194.38040 -186.08260 8.29779 2.71482 -185.59572 906.39924
2945.0000 -195.32803 -186.39113 8.93690 2.65630 -186.68211 855.94877
2950.0000 -197.26027 -188.01473 9.24554 2.69038 -186.04942 862.10856
2955.0000 -196.00408 -188.04289 7.96119 2.59300 -187.85752 812.72589
2960.0000 -195.77940 -185.98997 9.78943 2.62912 -187.18686 854.67520
2965.0000 -196.19452 -187.30178 8.89273 2.64834 -186.82994 878.14250
2970.0000 -195.65427 -187.03100 8.62327 2.62033 -187.34997 810.45682
2975.0000 -195.48912 -186.44247 9.04665 2.66548 -186.51173 855.89227
2980.0000 -196.76866 -187.74153 9.02713 2.65192 -186.76356 824.09057
2985.0000 -197.79676 -189.73309 8.06367 2.54023 -188.83726 762.68388
2990.0000 -196.04833 -187.92389 8.12444 2.50095 -189.56646 743.43128
2995.0000 -197.28731 -188.85537 8.43194 2.55313 -188.59761 770.12670
3000.0000 -195.26761 -186.25411 9.01350 2.61505 -187.44806 826.16831
FREEZING PROCESS: loop number 13 T-loop= 809.00000000000000
main_MD> interactions number 13 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.43729 -0.35352 2.35120
force_rgl> df(natom) -0.71275 0.75962 -1.62991
3005.0000 -196.29415 -188.24345 8.05070 2.63526 -187.07285 829.08555
3010.0000 -196.96140 -189.38836 7.57304 2.52201 -189.17555 741.46167
3015.0000 -196.69439 -189.47154 7.22285 2.48526 -189.85777 696.30611
3020.0000 -195.77556 -187.61367 8.16189 2.51476 -189.31005 746.26326
3025.0000 -196.35269 -188.09740 8.25528 2.55634 -188.53802 779.02094
3030.0000 -195.65299 -188.19205 7.46094 2.56871 -188.30849 780.84467
3035.0000 -195.77502 -187.38658 8.38844 2.64135 -186.95976 836.94659
3040.0000 -196.76732 -188.21591 8.55141 2.60817 -187.57574 806.67606
3045.0000 -197.68699 -188.91421 8.77278 2.59534 -187.81407 815.61658
3050.0000 -196.35985 -189.44679 6.91306 2.52309 -189.15543 752.79654
3055.0000 -196.01772 -188.47012 7.54760 2.50962 -189.40550 736.59354
3060.0000 -195.10028 -187.57504 7.52524 2.56997 -188.28497 780.84247
3065.0000 -196.62677 -187.93414 8.69263 2.58440 -188.01714 778.64618
3070.0000 -196.10546 -188.32353 7.78193 2.55042 -188.64807 784.67052
3075.0000 -196.06437 -187.92201 8.14236 2.56803 -188.32108 780.48667
3080.0000 -196.71084 -188.93284 7.77800 2.59524 -187.81590 780.41358
3085.0000 -196.00082 -187.73252 8.26831 2.55954 -188.47863 771.74780
3090.0000 -196.00620 -188.32486 7.68134 2.59549 -187.81113 824.32420
3095.0000 -197.13128 -189.44472 7.68657 2.50283 -189.53159 735.51782
3100.0000 -197.56427 -189.36502 8.19925 2.49016 -189.76676 745.23590
3105.0000 -197.06487 -188.61813 8.44674 2.51219 -189.35783 757.38296
3110.0000 -197.14212 -187.83176 9.31036 2.54824 -188.68841 781.96197
3115.0000 -196.85556 -188.23325 8.62231 2.60256 -187.67996 841.48822
3120.0000 -197.12635 -189.24840 7.87795 2.51779 -189.25380 723.23128
3125.0000 -197.48129 -188.48488 8.99642 2.52298 -189.15740 768.69702
3130.0000 -196.78797 -188.85582 7.93215 2.54973 -188.66084 790.79545
3135.0000 -196.52423 -187.71368 8.81055 2.52929 -189.04029 782.06889
3140.0000 -196.45533 -188.69124 7.76409 2.54372 -188.77232 780.54792
3145.0000 -196.66691 -189.86467 6.80225 2.51904 -189.23068 766.27619
3150.0000 -198.09796 -190.59923 7.49873 2.49051 -189.76039 776.38408
3155.0000 -197.22462 -191.04768 6.17694 2.42843 -190.91295 722.82460
3160.0000 -198.22855 -189.49821 8.73033 2.44066 -190.68588 730.11473
3165.0000 -198.12079 -190.51922 7.60157 2.50700 -189.45421 763.82532
3170.0000 -196.76387 -188.84455 7.91931 2.48116 -189.93384 733.56970
3175.0000 -196.66131 -187.91365 8.74766 2.55702 -188.52541 792.25661
3180.0000 -196.90715 -189.09331 7.81385 2.53007 -189.02576 777.33438
3185.0000 -197.78178 -187.75057 10.03121 2.55326 -188.59523 779.54349
3190.0000 -195.33663 -184.74489 10.59174 2.69719 -185.92296 888.50911
3195.0000 -195.52544 -186.82020 8.70524 2.72747 -185.36076 898.28232
3200.0000 -194.32797 -186.68280 7.64517 2.66205 -186.57545 855.25223
3205.0000 -195.85366 -185.58431 10.26935 2.70486 -185.78056 902.50296
3210.0000 -194.80079 -185.55978 9.24101 2.69891 -185.89104 868.37817
3215.0000 -194.92463 -186.17201 8.75262 2.72638 -185.38112 885.56860
3220.0000 -195.61739 -185.68512 9.93227 2.69166 -186.02566 846.67028
3225.0000 -195.75414 -187.96136 7.79279 2.59851 -187.75508 808.20078
3230.0000 -194.98779 -185.37762 9.61016 2.67031 -186.42202 864.69712
3235.0000 -193.82575 -186.41896 7.40679 2.70895 -185.70469 839.74687
3240.0000 -195.44137 -186.68411 8.75727 2.66529 -186.51528 845.84589
3245.0000 -195.64509 -187.33526 8.30983 2.60383 -187.65632 795.23484
3250.0000 -196.03134 -187.85924 8.17210 2.60566 -187.62243 826.15826
FREEZING PROCESS: loop number 14 T-loop= 784.00000000000000
main_MD> interactions number 14 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.44992 -1.47571 1.52673
force_rgl> df(natom) 1.42082 2.15843 -0.33492
3255.0000 -196.74541 -189.02242 7.72299 2.55852 -188.49767 778.58390
3260.0000 -195.67815 -186.71841 8.95974 2.54457 -188.75667 784.62631
3265.0000 -194.75261 -186.29544 8.45717 2.69312 -185.99856 878.63229
3270.0000 -195.10961 -187.41982 7.68979 2.65946 -186.62348 834.12497
3275.0000 -195.66274 -186.88571 8.77703 2.61511 -187.44685 823.50531
3280.0000 -195.91145 -187.63590 8.27555 2.60654 -187.60612 818.00965
3285.0000 -196.84662 -189.24199 7.60463 2.59358 -187.84670 783.68901
3290.0000 -196.28084 -188.84877 7.43207 2.53133 -189.00237 769.38228
3295.0000 -197.84659 -189.52458 8.32201 2.54610 -188.72813 801.74218
3300.0000 -199.12565 -190.38305 8.74260 2.47121 -190.11859 745.32710
3305.0000 -197.96933 -190.20078 7.76855 2.48554 -189.85260 744.69153
3310.0000 -196.36753 -187.74812 8.61942 2.59135 -187.88816 810.90619
3315.0000 -196.53444 -187.73901 8.79543 2.62391 -187.28351 830.40423
3320.0000 -196.89826 -187.88122 9.01703 2.62026 -187.35139 848.76224
3325.0000 -196.99980 -189.89107 7.10873 2.57343 -188.22079 806.23031
3330.0000 -196.75243 -189.31605 7.43638 2.47771 -189.99803 727.27182
3335.0000 -196.68703 -188.52840 8.15863 2.51549 -189.29653 763.38561
3340.0000 -196.83793 -188.37680 8.46113 2.57053 -188.27460 788.26717
3345.0000 -199.34224 -191.64977 7.69248 2.45510 -190.41772 721.04895
3350.0000 -198.48745 -190.50420 7.98325 2.41551 -191.15286 685.32197
3355.0000 -196.93557 -189.39880 7.53677 2.50951 -189.40751 747.13593
3360.0000 -197.24178 -187.94302 9.29876 2.52429 -189.13305 764.74645
3365.0000 -195.24925 -186.31570 8.93355 2.63798 -187.02236 828.69642
3370.0000 -195.18037 -187.55976 7.62061 2.65270 -186.74904 829.75851
3375.0000 -196.24765 -188.33837 7.90928 2.53828 -188.87334 739.49028
3380.0000 -196.56113 -186.98689 9.57424 2.59283 -187.86062 810.51472
3385.0000 -195.08105 -187.24110 7.83995 2.62476 -187.26775 811.47224
3390.0000 -195.16080 -186.67898 8.48182 2.67379 -186.35744 835.33040
3395.0000 -195.78970 -187.87244 7.91726 2.60877 -187.56465 814.15978
3400.0000 -194.57938 -185.27676 9.30262 2.67441 -186.34595 843.32178
3405.0000 -194.67468 -186.73437 7.94031 2.73596 -185.20322 905.00608
3410.0000 -195.63579 -186.88214 8.75365 2.62000 -187.35620 811.04226
3415.0000 -196.86116 -190.01531 6.84585 2.53078 -189.01264 763.28471
3420.0000 -196.95979 -189.47309 7.48671 2.45654 -190.39107 701.54792
3425.0000 -195.92373 -186.75452 9.16921 2.60836 -187.57222 817.98659
3430.0000 -195.79318 -185.53304 10.26014 2.67004 -186.42703 864.42089
3435.0000 -195.23908 -185.65061 9.58847 2.69781 -185.91144 879.53591
3440.0000 -197.56780 -189.61287 7.95494 2.59836 -187.75786 836.42315
3445.0000 -197.50027 -188.82876 8.67151 2.48360 -189.88854 738.66203
3450.0000 -196.08014 -187.28719 8.79294 2.56434 -188.38949 818.71093
3455.0000 -195.15602 -188.13078 7.02524 2.59769 -187.77030 824.84691
3460.0000 -195.85825 -188.32264 7.53562 2.54486 -188.75116 755.87272
3465.0000 -195.71388 -188.56885 7.14503 2.58585 -187.99024 779.54420
3470.0000 -197.39981 -189.48272 7.91709 2.54498 -188.74893 766.63419
3475.0000 -196.53516 -190.25569 6.27947 2.54149 -188.81382 759.98710
3480.0000 -195.11421 -188.06322 7.05098 2.52169 -189.18144 746.05499
3485.0000 -196.98133 -186.82075 10.16058 2.60984 -187.54470 818.85093
3490.0000 -195.89837 -187.34819 8.55018 2.66089 -186.59703 853.85240
3495.0000 -195.42842 -187.98913 7.43929 2.63034 -187.16424 816.46040
3500.0000 -196.88915 -187.74471 9.14443 2.56944 -188.29492 786.91406
FREEZING PROCESS: loop number 15 T-loop= 759.00000000000000
main_MD> interactions number 15 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.02430 1.47011 -4.08381
force_rgl> df(natom) 0.11743 0.41776 0.15681
3505.0000 -197.80506 -189.66876 8.13630 2.55009 -188.65414 778.18074
3510.0000 -193.92070 -186.10761 7.81309 2.54461 -188.75577 768.08083
3515.0000 -195.47872 -187.17267 8.30605 2.65408 -186.72335 864.08877
3520.0000 -198.49957 -190.44321 8.05635 2.52268 -189.16298 767.44653
3525.0000 -197.01980 -190.35887 6.66093 2.43433 -190.80333 682.31672
3530.0000 -197.89130 -190.65643 7.23487 2.44754 -190.55810 708.07032
3535.0000 -197.47761 -189.93368 7.54394 2.49796 -189.62196 741.00578
3540.0000 -196.81032 -188.79387 8.01645 2.55785 -188.51005 791.50581
3545.0000 -196.21085 -188.89448 7.31637 2.55320 -188.59629 786.80749
3550.0000 -197.78656 -189.08107 8.70549 2.52630 -189.09590 758.79599
3555.0000 -198.28141 -190.55329 7.72811 2.51622 -189.28304 782.30234
3560.0000 -197.18312 -189.56443 7.61869 2.45013 -190.51010 718.51140
3565.0000 -195.86550 -188.48607 7.37942 2.48915 -189.78547 750.77295
3570.0000 -196.09191 -188.97378 7.11812 2.58133 -188.07412 773.97852
3575.0000 -198.16432 -189.27189 8.89243 2.54452 -188.75756 775.92529
3580.0000 -196.61226 -187.78794 8.82432 2.53650 -188.90648 785.29616
3585.0000 -197.03426 -188.63496 8.39929 2.59419 -187.83528 828.66285
3590.0000 -198.33792 -189.02740 9.31051 2.54053 -188.83157 765.13787
3595.0000 -195.50829 -187.88778 7.62051 2.56683 -188.34327 796.92176
3600.0000 -196.27471 -189.46836 6.80635 2.55477 -188.56719 772.28984
3605.0000 -196.56487 -188.35520 8.20967 2.49116 -189.74828 747.20817
3610.0000 -195.23075 -186.80378 8.42697 2.59522 -187.81627 807.75923
3615.0000 -195.60802 -187.38008 8.22794 2.59658 -187.79094 824.36467
3620.0000 -197.01496 -189.11515 7.89982 2.56490 -188.37912 775.31523
3625.0000 -198.00014 -190.36033 7.63981 2.49658 -189.64770 738.74056
3630.0000 -196.42205 -189.13502 7.28703 2.47423 -190.06263 750.49432
3635.0000 -196.87991 -189.93086 6.94905 2.53123 -189.00426 745.69187
3640.0000 -198.03549 -191.22039 6.81510 2.47233 -190.09777 723.65181
3645.0000 -196.49164 -189.40223 7.08941 2.48141 -189.92926 730.61046
3650.0000 -197.09931 -187.94373 9.15558 2.49718 -189.63645 748.55909
3655.0000 -197.29428 -189.03278 8.26151 2.56517 -188.37418 787.12481
3660.0000 -196.70036 -189.34449 7.35587 2.52495 -189.12086 760.86232
3665.0000 -197.11376 -189.04539 8.06837 2.56944 -188.29477 784.20594
3670.0000 -197.46401 -189.36082 8.10319 2.53014 -189.02447 764.88083
3675.0000 -196.96433 -189.60970 7.35463 2.51029 -189.39310 762.88233
3680.0000 -197.43878 -188.69248 8.74630 2.53117 -189.00543 783.64836
3685.0000 -196.64246 -188.73031 7.91215 2.55011 -188.65381 785.80054
3690.0000 -196.43816 -188.13288 8.30528 2.52915 -189.04291 771.12429
3695.0000 -196.78580 -188.53430 8.25150 2.50766 -189.44191 753.42865
3700.0000 -197.69342 -189.59621 8.09722 2.53993 -188.84282 792.48218
3705.0000 -195.58166 -187.52994 8.05173 2.53857 -188.86806 772.50055
3710.0000 -195.52836 -186.99761 8.53076 2.58459 -188.01360 793.41454
3715.0000 -196.27623 -186.20255 10.07367 2.63444 -187.08804 824.65625
3720.0000 -195.38403 -185.72638 9.65765 2.69241 -186.01172 851.81586
3725.0000 -195.76884 -187.31172 8.45712 2.63923 -186.99918 847.80497
3730.0000 -195.87305 -186.90728 8.96577 2.57701 -188.15434 804.71473
3735.0000 -195.82842 -188.40162 7.42680 2.54059 -188.83057 770.31372
3740.0000 -196.79810 -188.99801 7.80009 2.59049 -187.90408 812.80326
3745.0000 -197.18941 -189.27739 7.91202 2.50059 -189.57310 752.84727
3750.0000 -196.91778 -188.77309 8.14469 2.50584 -189.47567 775.80905
FREEZING PROCESS: loop number 16 T-loop= 734.00000000000000
main_MD> interactions number 16 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05203 1.75136 -0.80166
force_rgl> df(natom) -2.61322 1.14773 -1.69545
3755.0000 -196.25397 -188.97970 7.27427 2.49777 -189.62553 739.84626
3760.0000 -196.85168 -188.55087 8.30081 2.58126 -188.07548 830.17327
3765.0000 -196.90628 -190.04391 6.86236 2.51471 -189.31104 751.91094
3770.0000 -198.58169 -191.24195 7.33974 2.43480 -190.79461 695.90364
3775.0000 -198.31951 -191.35319 6.96633 2.42342 -191.00586 714.08185
3780.0000 -198.61291 -191.50879 7.10412 2.42415 -190.99231 733.95290
3785.0000 -197.15521 -188.26542 8.88979 2.50900 -189.41699 755.38982
3790.0000 -198.95048 -189.61522 9.33526 2.53156 -188.99824 776.97755
3795.0000 -196.94709 -188.86609 8.08100 2.54648 -188.72111 789.65870
3800.0000 -199.51784 -191.29975 8.21809 2.46870 -190.16532 700.86130
3805.0000 -198.59200 -192.22844 6.36356 2.36414 -192.10652 671.27663
3810.0000 -199.31395 -192.19973 7.11422 2.34412 -192.47821 656.69241
3815.0000 -197.69149 -189.76917 7.92232 2.42195 -191.03329 707.48693
3820.0000 -198.65169 -190.80883 7.84286 2.50857 -189.42501 781.13979
3825.0000 -198.85640 -191.90543 6.95097 2.40568 -191.33528 691.72185
3830.0000 -197.55791 -189.20247 8.35544 2.43399 -190.80974 692.93089
3835.0000 -197.91392 -189.27125 8.64267 2.49415 -189.69277 738.71357
3840.0000 -198.49414 -190.64464 7.84950 2.47179 -190.10786 736.92143
3845.0000 -198.17703 -190.82837 7.34865 2.48386 -189.88386 751.65324
3850.0000 -197.53638 -190.11603 7.42034 2.43969 -190.70391 706.38385
3855.0000 -198.35647 -190.64561 7.71086 2.46209 -190.28792 731.22700
3860.0000 -198.16432 -191.19838 6.96594 2.42188 -191.03445 705.09534
3865.0000 -197.69796 -189.29132 8.40664 2.50318 -189.52516 761.88405
3870.0000 -197.81541 -189.78710 8.02831 2.49263 -189.72102 740.05114
3875.0000 -197.21507 -189.55348 7.66158 2.46333 -190.26488 739.42711
3880.0000 -198.06501 -190.52986 7.53515 2.46899 -190.15995 721.82135
3885.0000 -197.36398 -189.42903 7.93495 2.47531 -190.04245 729.81476
3890.0000 -197.41465 -190.79967 6.61498 2.48751 -189.81609 731.90299
3895.0000 -198.31081 -190.37085 7.93996 2.45521 -190.41574 726.09113
3900.0000 -199.41990 -191.47808 7.94182 2.43313 -190.82561 706.99410
3905.0000 -197.50050 -191.59637 5.90413 2.41816 -191.10363 698.29885
3910.0000 -198.71085 -190.35241 8.35844 2.42340 -191.00626 708.29876
3915.0000 -198.69686 -190.82439 7.87247 2.44055 -190.68790 695.54416
3920.0000 -198.91039 -191.08355 7.82684 2.43696 -190.75463 714.23022
3925.0000 -199.02930 -191.09302 7.93628 2.45422 -190.43406 726.43721
3930.0000 -196.85220 -189.74686 7.10535 2.45134 -190.48763 707.78541
3935.0000 -197.66896 -188.69836 8.97060 2.55845 -188.49897 779.96346
3940.0000 -197.57633 -190.51763 7.05870 2.51016 -189.39550 736.25426
3945.0000 -197.33543 -189.77336 7.56206 2.48651 -189.83449 740.20341
3950.0000 -197.48760 -189.36165 8.12595 2.48136 -189.93022 731.12175
3955.0000 -197.84090 -189.36340 8.47751 2.45437 -190.43125 720.64732
3960.0000 -194.56469 -188.63542 5.92928 2.56990 -188.28632 769.89088
3965.0000 -195.43245 -188.75265 6.67980 2.56536 -188.37055 812.51066
3970.0000 -197.72637 -189.56976 8.15662 2.50553 -189.48142 740.85377
3975.0000 -197.45125 -189.39909 8.05216 2.48507 -189.86139 747.65006
3980.0000 -194.57266 -185.97036 8.60229 2.60531 -187.62894 800.40717
3985.0000 -197.82417 -188.65757 9.16660 2.61558 -187.43819 804.77264
3990.0000 -197.96767 -190.68950 7.27817 2.46346 -190.26249 723.41104
3995.0000 -198.08715 -190.79671 7.29045 2.44940 -190.52351 739.10868
4000.0000 -197.25742 -190.01243 7.24498 2.48416 -189.87821 777.14533
FREEZING PROCESS: loop number 17 T-loop= 709.00000000000000
main_MD> interactions number 17 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.52220 3.38703 5.34144
force_rgl> df(natom) -1.30184 -0.87964 -0.94024
4005.0000 -196.91620 -190.64085 6.27534 2.43684 -190.75675 713.23217
4010.0000 -198.21861 -190.96151 7.25711 2.43244 -190.83855 716.19769
4015.0000 -197.36730 -190.81462 6.55268 2.43073 -190.87020 685.50041
4020.0000 -197.53088 -190.89408 6.63680 2.44101 -190.67938 692.67503
4025.0000 -198.46749 -190.81725 7.65024 2.42652 -190.94829 683.63816
4030.0000 -197.88832 -191.08627 6.80205 2.41063 -191.24336 659.64002
4035.0000 -196.83241 -189.22901 7.60340 2.43690 -190.75573 699.73672
4040.0000 -194.85485 -188.42276 6.43209 2.54977 -188.66013 772.82361
4045.0000 -197.73061 -189.87788 7.85273 2.52820 -189.06053 749.21919
4050.0000 -197.73995 -191.73355 6.00640 2.45004 -190.51161 699.97673
4055.0000 -198.01348 -189.60223 8.41124 2.45661 -190.38967 725.36346
4060.0000 -199.67617 -192.40474 7.27143 2.42334 -191.00732 734.13038
4065.0000 -197.49545 -190.50656 6.98889 2.40326 -191.38023 681.80008
4070.0000 -199.40428 -191.00826 8.39602 2.45119 -190.49038 721.86612
4075.0000 -198.72136 -192.29214 6.42923 2.40342 -191.37721 699.19512
4080.0000 -196.82067 -190.18246 6.63821 2.41748 -191.11630 674.80324
4085.0000 -197.87499 -191.22114 6.65385 2.45167 -190.48143 675.26232
4090.0000 -198.35072 -190.76226 7.58846 2.44212 -190.65879 679.13261
4095.0000 -197.32343 -190.29087 7.03256 2.44644 -190.57845 684.04717
4100.0000 -196.71750 -189.40572 7.31178 2.50385 -189.51259 735.13765
4105.0000 -198.63762 -191.57069 7.06693 2.42004 -191.06875 664.18474
4110.0000 -196.97655 -189.47043 7.50612 2.41381 -191.18431 688.75571
4115.0000 -197.55871 -190.14247 7.41624 2.44753 -190.55830 722.54244
4120.0000 -197.12989 -189.89631 7.23358 2.47055 -190.13081 729.82498
4125.0000 -197.20752 -189.59223 7.61528 2.48102 -189.93656 715.94798
4130.0000 -199.67896 -192.38506 7.29390 2.41094 -191.23770 686.98265
4135.0000 -199.24533 -191.87492 7.37041 2.33952 -192.56360 644.86018
4140.0000 -199.34429 -192.13668 7.20761 2.32108 -192.90607 647.72060
4145.0000 -197.30468 -191.01757 6.28711 2.40275 -191.38969 685.21225
4150.0000 -198.04552 -190.82090 7.22462 2.43779 -190.73914 701.52338
4155.0000 -197.92537 -190.46858 7.45679 2.41173 -191.22301 698.15331
4160.0000 -198.63167 -190.84349 7.78818 2.47496 -190.04901 718.53762
4165.0000 -197.68703 -189.72172 7.96530 2.47162 -190.11101 722.22702
4170.0000 -196.80817 -190.26712 6.54105 2.46503 -190.23332 723.63433
4175.0000 -198.86393 -190.88567 7.97826 2.45534 -190.41320 736.90111
4180.0000 -198.09927 -190.22542 7.87385 2.44272 -190.64751 725.05240
4185.0000 -197.22232 -189.94150 7.28082 2.43514 -190.78833 697.82098
4190.0000 -198.80966 -191.80017 7.00949 2.43037 -190.87687 676.10880
4195.0000 -198.54702 -192.01233 6.53469 2.42984 -190.88679 699.85033
4200.0000 -199.38775 -192.21858 7.16917 2.39440 -191.54466 674.18026
4205.0000 -199.20141 -192.59145 6.60996 2.33857 -192.58133 638.39458
4210.0000 -197.56279 -190.17009 7.39270 2.39012 -191.62427 682.41559
4215.0000 -196.17024 -189.21312 6.95713 2.51689 -189.27055 760.45959
4220.0000 -198.24921 -191.64218 6.60703 2.44917 -190.52776 703.08882
4225.0000 -197.57568 -190.61600 6.95968 2.42632 -190.95212 692.31853
4230.0000 -199.41111 -193.13035 6.28076 2.41598 -191.14410 672.14402
4235.0000 -198.50555 -191.74521 6.76034 2.33929 -192.56799 625.61833
4240.0000 -199.12727 -191.63044 7.49683 2.39680 -191.50021 695.25601
4245.0000 -196.80074 -189.28894 7.51180 2.47215 -190.10119 741.89566
4250.0000 -197.55494 -190.56862 6.98632 2.47291 -190.08704 729.67927
FREEZING PROCESS: loop number 18 T-loop= 684.00000000000000
main_MD> interactions number 18 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.83625 -0.93910 -4.36241
force_rgl> df(natom) 0.48999 3.63298 1.46169
4255.0000 -198.35742 -192.08141 6.27601 2.43609 -190.77066 665.99533
4260.0000 -198.40083 -191.74395 6.65688 2.39540 -191.52617 675.44311
4265.0000 -199.35066 -192.39556 6.95510 2.35784 -192.22357 655.57430
4270.0000 -200.05986 -192.69683 7.36303 2.37173 -191.96559 688.71839
4275.0000 -199.44794 -192.26167 7.18627 2.33825 -192.58728 661.31602
4280.0000 -198.99331 -192.01614 6.97717 2.33222 -192.69910 650.76718
4285.0000 -197.76951 -189.68774 8.08177 2.44034 -190.69172 725.86983
4290.0000 -198.46452 -190.53665 7.92788 2.44503 -190.60465 727.79481
4295.0000 -196.75502 -190.40144 6.35357 2.42039 -191.06218 699.57825
4300.0000 -198.61310 -190.80021 7.81289 2.44020 -190.69432 717.02680
4305.0000 -197.90927 -191.20776 6.70151 2.40698 -191.31112 691.71559
4310.0000 -198.35347 -191.24894 7.10453 2.40747 -191.30206 686.69319
4315.0000 -198.29443 -191.14034 7.15409 2.41861 -191.09525 683.32294
4320.0000 -198.48464 -191.21155 7.27309 2.39346 -191.56214 694.98530
4325.0000 -197.53492 -191.60537 5.92956 2.41094 -191.23759 681.12841
4330.0000 -198.20036 -191.49838 6.70197 2.40231 -191.39783 687.73387
4335.0000 -199.30171 -193.13372 6.16799 2.37664 -191.87438 689.87085
4340.0000 -200.11932 -193.66334 6.45598 2.28675 -193.54333 628.07869
4345.0000 -199.15603 -192.06108 7.09495 2.33488 -192.64977 636.80592
4350.0000 -197.79780 -190.01834 7.77947 2.39296 -191.57140 671.45116
4355.0000 -197.31685 -190.59224 6.72460 2.45379 -190.44198 694.32551
4360.0000 -198.41220 -191.19451 7.21769 2.38431 -191.73205 682.53724
4365.0000 -199.68544 -191.88505 7.80039 2.40902 -191.27330 703.30552
4370.0000 -198.26696 -190.99985 7.26712 2.42092 -191.05227 670.36227
4375.0000 -198.89283 -191.37494 7.51790 2.40267 -191.39127 663.63659
4380.0000 -197.99095 -190.50817 7.48278 2.43807 -190.73395 699.74252
4385.0000 -197.87706 -190.02313 7.85392 2.47382 -190.07020 731.13882
4390.0000 -198.27570 -191.13389 7.14181 2.42564 -190.96480 695.98582
4395.0000 -199.14818 -191.69017 7.45802 2.40821 -191.28839 682.56678
4400.0000 -199.60280 -192.38132 7.22148 2.36916 -192.01331 668.47200
4405.0000 -199.13754 -191.92623 7.21132 2.41445 -191.17238 683.94170
4410.0000 -198.52247 -190.41713 8.10533 2.40175 -191.40832 694.45183
4415.0000 -197.69651 -190.06541 7.63110 2.47177 -190.10825 727.93858
4420.0000 -198.80830 -191.40771 7.40060 2.39926 -191.45449 673.74626
4425.0000 -198.02017 -191.19466 6.82551 2.42589 -190.96015 696.29848
4430.0000 -197.70599 -190.69769 7.00830 2.46741 -190.18927 720.34435
4435.0000 -200.41908 -192.52674 7.89233 2.35194 -192.33306 673.83015
4440.0000 -199.39010 -191.19982 8.19028 2.37811 -191.84708 659.15940
4445.0000 -198.09170 -192.38803 5.70368 2.40762 -191.29922 672.92091
4450.0000 -198.43185 -191.95088 6.48098 2.36878 -192.02044 665.12707
4455.0000 -198.54865 -192.43016 6.11849 2.38355 -191.74618 669.40483
4460.0000 -198.59088 -192.40266 6.18822 2.36286 -192.13038 654.63821
4465.0000 -198.84911 -190.89654 7.95256 2.37367 -191.92955 663.88671
4470.0000 -198.58319 -191.08663 7.49656 2.40585 -191.33222 699.69928
4475.0000 -197.55006 -189.21613 8.33393 2.44374 -190.62857 705.64074
4480.0000 -198.80318 -190.71553 8.08765 2.48954 -189.77833 779.75111
4485.0000 -196.55916 -190.50495 6.05421 2.49237 -189.72583 729.82891
4490.0000 -198.13972 -190.95837 7.18135 2.43792 -190.73671 715.70341
4495.0000 -198.58769 -191.66293 6.92476 2.42642 -190.95019 706.17885
4500.0000 -200.33279 -193.25197 7.08083 2.35081 -192.35405 643.13702
FREEZING PROCESS: loop number 19 T-loop= 659.00000000000000
main_MD> interactions number 19 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.42518 4.90687 0.32386
force_rgl> df(natom) -1.93811 -0.23484 -1.62176
4505.0000 -199.51916 -191.80585 7.71331 2.35992 -192.18486 691.37260
4510.0000 -199.22965 -192.96088 6.26877 2.35488 -192.27851 662.47815
4515.0000 -200.20978 -193.44655 6.76323 2.32371 -192.85724 644.73178
4520.0000 -200.04265 -192.83349 7.20916 2.30570 -193.19147 626.23896
4525.0000 -200.00618 -193.13608 6.87010 2.30908 -193.12889 653.71890
4530.0000 -199.39571 -192.06619 7.32952 2.29129 -193.45902 621.87121
4535.0000 -198.13296 -190.75320 7.37977 2.39400 -191.55211 677.22069
4540.0000 -198.15146 -191.76849 6.38297 2.41461 -191.16944 693.38771
4545.0000 -199.61842 -192.62893 6.98949 2.33780 -192.59563 656.75289
4550.0000 -198.23976 -191.34897 6.89078 2.39419 -191.54864 671.45675
4555.0000 -200.23168 -192.83817 7.39351 2.36566 -192.07823 662.43205
4560.0000 -198.82756 -192.58470 6.24286 2.31548 -193.00991 624.56198
4565.0000 -197.71533 -192.21002 5.50531 2.34775 -192.41079 642.29931
4570.0000 -197.83324 -190.82441 7.00883 2.39298 -191.57104 681.84073
4575.0000 -198.37811 -191.59902 6.77909 2.43004 -190.88310 687.82450
4580.0000 -199.52499 -192.79892 6.72607 2.34148 -192.52717 631.74238
4585.0000 -197.11104 -190.23020 6.88084 2.42150 -191.04154 660.15802
4590.0000 -199.23130 -190.11695 9.11435 2.41823 -191.10229 702.04166
4595.0000 -198.81535 -191.68755 7.12780 2.42548 -190.96776 703.91353
4600.0000 -198.86751 -190.77064 8.09687 2.41289 -191.20151 690.20656
4605.0000 -198.32794 -193.19761 5.13032 2.39638 -191.50800 678.96474
4610.0000 -198.88588 -191.72325 7.16263 2.36130 -192.15928 647.95020
4615.0000 -197.91342 -191.43480 6.47863 2.36366 -192.11551 667.10294
4620.0000 -198.17272 -191.21570 6.95702 2.38710 -191.68024 673.80823
4625.0000 -199.78791 -192.77823 7.00968 2.37220 -191.95698 680.37490
4630.0000 -199.91491 -193.25981 6.65510 2.30376 -193.22757 623.01402
4635.0000 -199.70268 -192.58717 7.11551 2.28405 -193.59344 601.89706
4640.0000 -199.64068 -191.77726 7.86342 2.36934 -192.01005 655.02493
4645.0000 -199.37191 -192.87063 6.50128 2.34755 -192.41450 652.44625
4650.0000 -199.75153 -193.22750 6.52403 2.33298 -192.68497 643.44069
4655.0000 -199.36150 -193.53927 5.82222 2.32513 -192.83077 634.89457
4660.0000 -199.73365 -193.59296 6.14069 2.24791 -194.26449 595.51735
4665.0000 -200.33833 -194.34570 5.99263 2.27075 -193.84039 610.86580
4670.0000 -199.62603 -192.71558 6.91045 2.26327 -193.97930 598.91157
4675.0000 -200.66540 -192.57694 8.08847 2.33291 -192.68630 666.95090
4680.0000 -199.85081 -192.76361 7.08720 2.34439 -192.47328 651.39387
4685.0000 -199.67230 -192.61153 7.06077 2.33742 -192.60269 641.50509
4690.0000 -200.04483 -193.86641 6.17843 2.34373 -192.48549 648.70636
4695.0000 -199.20948 -192.68461 6.52487 2.30203 -193.25972 626.56495
4700.0000 -198.21538 -191.14399 7.07139 2.38243 -191.76702 660.42955
4705.0000 -197.43231 -190.93859 6.49372 2.39549 -191.52455 693.49590
4710.0000 -198.96966 -192.20695 6.76272 2.41817 -191.10348 699.71522
4715.0000 -200.09271 -192.76964 7.32307 2.37688 -191.87009 669.78144
4720.0000 -200.21675 -193.45605 6.76070 2.35146 -192.34190 648.13168
4725.0000 -199.73585 -193.63149 6.10435 2.31445 -193.02915 643.66336
4730.0000 -199.67147 -193.78663 5.88483 2.28261 -193.62033 595.30747
4735.0000 -198.93720 -191.97263 6.96457 2.29768 -193.34051 610.51614
4740.0000 -198.68185 -191.81183 6.87003 2.36386 -192.11171 668.55906
4745.0000 -200.26319 -192.98416 7.27903 2.34419 -192.47698 653.47283
4750.0000 -198.15990 -190.60523 7.55467 2.40157 -191.41167 711.24642
FREEZING PROCESS: loop number 20 T-loop= 634.00000000000000
main_MD> interactions number 20 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.53321 -1.49740 2.81093
force_rgl> df(natom) 0.71439 3.32486 -2.21712
4755.0000 -199.13511 -192.72064 6.41447 2.40331 -191.37931 692.19923
4760.0000 -200.61220 -192.43308 8.17912 2.36750 -192.04409 676.24347
4765.0000 -198.49209 -192.36191 6.13017 2.34767 -192.41235 668.37339
4770.0000 -197.99886 -190.62842 7.37043 2.40209 -191.40200 697.83619
4775.0000 -197.61934 -191.03807 6.58127 2.45294 -190.45783 717.75669
4780.0000 -200.37192 -194.08322 6.28870 2.30431 -193.21729 625.06488
4785.0000 -200.45921 -194.07336 6.38585 2.23660 -194.47458 592.22293
4790.0000 -198.57367 -192.30532 6.26835 2.30865 -193.13684 632.15754
4795.0000 -199.02536 -192.16995 6.85541 2.33508 -192.64605 653.14559
4800.0000 -198.50429 -192.18479 6.31950 2.37886 -191.83332 661.32516
4805.0000 -198.30051 -191.65754 6.64296 2.40560 -191.33669 688.09915
4810.0000 -200.50522 -193.86783 6.63739 2.31809 -192.96143 647.19533
4815.0000 -200.16631 -194.08949 6.07681 2.27166 -193.82364 620.37908
4820.0000 -199.44793 -193.21821 6.22973 2.32125 -192.90277 649.85452
4825.0000 -201.29517 -194.22718 7.06799 2.27845 -193.69740 619.49508
4830.0000 -200.48996 -193.26530 7.22465 2.30459 -193.21223 615.56703
4835.0000 -200.69458 -194.32332 6.37126 2.27494 -193.76271 627.75738
4840.0000 -199.72832 -193.33154 6.39678 2.24040 -194.40403 586.87720
4845.0000 -198.86591 -192.11226 6.75365 2.32537 -192.82627 633.38650
4850.0000 -198.17337 -191.87437 6.29900 2.38073 -191.79852 680.37476
4855.0000 -199.39935 -193.14905 6.25030 2.37334 -191.93578 677.55637
4860.0000 -198.76525 -193.17174 5.59351 2.33140 -192.71445 644.14475
4865.0000 -198.46053 -191.71479 6.74574 2.33472 -192.65271 638.61285
4870.0000 -199.74118 -193.31201 6.42917 2.36827 -192.02995 668.69950
4875.0000 -199.73068 -193.12676 6.60392 2.34540 -192.45444 645.36920
4880.0000 -199.70189 -193.70540 5.99650 2.28748 -193.52986 629.93271
4885.0000 -199.24649 -193.22563 6.02086 2.31844 -192.95502 641.44699
4890.0000 -198.61686 -192.22175 6.39511 2.29444 -193.40067 620.20899
4895.0000 -198.52802 -192.26368 6.26434 2.37426 -191.91865 647.15539
4900.0000 -198.15851 -192.08200 6.07650 2.36583 -192.07519 648.22107
4905.0000 -199.55541 -193.09345 6.46196 2.33971 -192.56013 650.43414
4910.0000 -199.68937 -193.88628 5.80309 2.30671 -193.17274 635.59242
4915.0000 -199.94508 -193.33089 6.61418 2.27740 -193.71705 606.57963
4920.0000 -200.54177 -193.10904 7.43273 2.32662 -192.80307 650.08324
4925.0000 -200.26275 -193.89072 6.37202 2.28999 -193.48331 594.77242
4930.0000 -200.36407 -194.40253 5.96154 2.29354 -193.41739 600.50029
4935.0000 -199.28594 -192.25680 7.02914 2.29630 -193.36616 617.55974
4940.0000 -200.06671 -193.95675 6.10997 2.31025 -193.10700 620.85206
4945.0000 -200.44591 -194.15752 6.28838 2.27255 -193.80705 606.57638
4950.0000 -198.87732 -192.61565 6.26166 2.27165 -193.82370 610.94024
4955.0000 -199.90163 -193.29439 6.60724 2.31872 -192.94982 635.33862
4960.0000 -200.28760 -193.55878 6.72882 2.25403 -194.15090 590.05600
4965.0000 -201.70745 -194.60840 7.09905 2.26107 -194.02008 599.45045
4970.0000 -200.86160 -193.97412 6.88749 2.24266 -194.36190 597.49104
4975.0000 -200.50532 -193.95161 6.55371 2.26770 -193.89699 593.02472
4980.0000 -199.38925 -192.30185 7.08741 2.30638 -193.17891 635.39973
4985.0000 -200.52856 -193.74227 6.78629 2.31594 -193.00146 643.19936
4990.0000 -199.25461 -192.04048 7.21414 2.33802 -192.59156 655.16128
4995.0000 -199.21009 -192.83839 6.37170 2.37989 -191.81403 693.52116
5000.0000 -199.32077 -192.32420 6.99657 2.37050 -191.98840 649.64779
FREEZING PROCESS: loop number 21 T-loop= 609.00000000000000
main_MD> interactions number 21 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30368 -1.19857 1.68884
force_rgl> df(natom) 0.65226 3.68401 -1.50896
5005.0000 -199.31858 -192.91020 6.40839 2.35118 -192.34722 668.89782
5010.0000 -200.26202 -193.49756 6.76445 2.29099 -193.46465 624.35422
5015.0000 -200.06209 -194.13912 5.92298 2.28242 -193.62377 612.65176
5020.0000 -201.06726 -194.46488 6.60238 2.24970 -194.23130 609.03235
5025.0000 -199.84626 -192.86157 6.98469 2.27747 -193.71563 608.08308
5030.0000 -199.02411 -192.99661 6.02750 2.35201 -192.33170 652.66645
5035.0000 -199.29768 -192.72373 6.57395 2.33388 -192.66833 650.90778
5040.0000 -199.29684 -192.37144 6.92540 2.33419 -192.66254 638.71340
5045.0000 -199.15215 -193.67800 5.47415 2.29071 -193.46985 605.01634
5050.0000 -200.49675 -191.98682 8.50993 2.37940 -191.82312 684.18497
5055.0000 -198.60912 -192.79168 5.81744 2.34325 -192.49441 647.54135
5060.0000 -199.88458 -193.42188 6.46270 2.29661 -193.36037 631.83838
5065.0000 -200.73593 -194.84176 5.89417 2.25942 -194.05075 602.07323
5070.0000 -200.42499 -195.74742 4.67757 2.18860 -195.36565 546.67791
5075.0000 -201.34080 -195.14658 6.19423 2.16741 -195.75909 552.97362
5080.0000 -200.28296 -193.47886 6.80410 2.23478 -194.50834 611.94897
5085.0000 -200.18675 -194.33268 5.85406 2.29271 -193.43271 636.89803
5090.0000 -201.99110 -195.90869 6.08241 2.23458 -194.51193 578.01016
5095.0000 -201.85127 -196.20921 5.64206 2.16232 -195.85359 530.85647
5100.0000 -201.24882 -195.04768 6.20114 2.17034 -195.70462 522.81063
5105.0000 -200.85219 -193.78712 7.06507 2.24258 -194.36342 584.07315
5110.0000 -199.04081 -193.14405 5.89676 2.28874 -193.50652 623.63363
5115.0000 -199.55063 -192.78766 6.76297 2.30512 -193.20235 616.47991
5120.0000 -200.63518 -193.76943 6.86575 2.29163 -193.45286 637.01222
5125.0000 -200.44192 -193.90031 6.54161 2.25101 -194.20696 583.07389
5130.0000 -200.50821 -195.34163 5.16657 2.23558 -194.49343 577.95971
5135.0000 -200.86904 -195.16009 5.70895 2.20668 -195.03008 582.66682
5140.0000 -199.32386 -193.20725 6.11661 2.23504 -194.50340 588.03786
5145.0000 -200.51062 -194.11535 6.39527 2.27106 -193.83470 600.18090
5150.0000 -198.89270 -192.52746 6.36523 2.31969 -192.93178 652.53721
5155.0000 -198.63841 -191.51707 7.12134 2.38207 -191.77359 674.70030
5160.0000 -199.81028 -192.32970 7.48058 2.38847 -191.65490 677.72030
5165.0000 -199.39919 -193.48843 5.91076 2.30517 -193.20136 618.95621
5170.0000 -200.63278 -194.51579 6.11700 2.24288 -194.35786 579.37424
5175.0000 -201.30655 -194.63413 6.67241 2.25634 -194.10808 609.36528
5180.0000 -201.32024 -193.72071 7.59953 2.25348 -194.16114 606.02692
5185.0000 -199.81875 -194.80377 5.01498 2.25562 -194.12133 610.58855
5190.0000 -200.84823 -194.92231 5.92592 2.21238 -194.92413 585.88181
5195.0000 -200.71031 -194.15035 6.55996 2.23022 -194.59290 608.03761
5200.0000 -200.81189 -195.52199 5.28990 2.25465 -194.13946 613.44745
5205.0000 -201.67916 -194.40779 7.27137 2.21748 -194.82951 603.59288
5210.0000 -200.12865 -193.67675 6.45190 2.23905 -194.42896 622.53136
5215.0000 -200.16997 -193.09467 7.07529 2.29976 -193.30184 629.37243
5220.0000 -200.66026 -193.59174 7.06852 2.30228 -193.25499 632.22342
5225.0000 -200.58039 -193.63986 6.94053 2.28581 -193.56085 616.64060
5230.0000 -200.14148 -193.61884 6.52263 2.28280 -193.61670 615.04129
5235.0000 -200.20608 -194.73641 5.46967 2.26310 -193.98244 587.73635
5240.0000 -199.81459 -194.46723 5.34735 2.19853 -195.18132 545.36814
5245.0000 -200.95972 -194.95385 6.00586 2.22163 -194.75248 579.11371
5250.0000 -200.77875 -194.19064 6.58811 2.23568 -194.49164 595.97430
FREEZING PROCESS: loop number 22 T-loop= 584.00000000000000
main_MD> interactions number 22 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.02964 -1.14662 1.66220
force_rgl> df(natom) -0.62913 -1.55938 -0.46265
5255.0000 -201.37007 -195.28538 6.08470 2.18920 -195.35459 581.92120
5260.0000 -201.58221 -194.98539 6.59683 2.17039 -195.70376 573.81943
5265.0000 -200.84130 -194.65768 6.18362 2.24009 -194.40977 608.78975
5270.0000 -201.40447 -195.24194 6.16253 2.21515 -194.87281 580.02350
5275.0000 -202.09338 -196.05998 6.03340 2.17153 -195.68252 536.31907
5280.0000 -200.12203 -194.42199 5.70003 2.20715 -195.02118 563.11906
5285.0000 -201.30538 -195.19313 6.11226 2.23299 -194.54144 582.39524
5290.0000 -200.55630 -194.46093 6.09537 2.24832 -194.25690 590.01378
5295.0000 -201.61166 -195.02485 6.58681 2.22360 -194.71579 563.63873
5300.0000 -201.50321 -195.95836 5.54485 2.17952 -195.53428 557.35122
5305.0000 -200.73850 -194.81389 5.92461 2.21185 -194.93406 564.24394
5310.0000 -199.86137 -192.93362 6.92775 2.28247 -193.62283 613.65143
5315.0000 -200.57977 -194.64830 5.93147 2.24745 -194.27311 604.43460
5320.0000 -199.47584 -193.99019 5.48564 2.23127 -194.57349 561.49555
5325.0000 -199.99933 -193.14178 6.85756 2.27103 -193.83520 592.31382
5330.0000 -199.35395 -191.76208 7.59186 2.32411 -192.84981 629.16084
5335.0000 -200.38864 -193.75804 6.63059 2.34006 -192.55367 635.69452
5340.0000 -201.29011 -194.94261 6.34750 2.24939 -194.23706 580.13896
5345.0000 -201.17054 -193.96750 7.20304 2.23447 -194.51397 580.45696
5350.0000 -199.84087 -194.79906 5.04181 2.24768 -194.26880 579.72388
5355.0000 -200.37745 -194.21234 6.16511 2.24228 -194.36909 577.01727
5360.0000 -200.51832 -194.65086 5.86745 2.24362 -194.34423 593.50695
5365.0000 -200.62182 -194.65312 5.96869 2.24713 -194.27892 565.00714
5370.0000 -199.32849 -193.80394 5.52455 2.30399 -193.22335 618.03545
5375.0000 -201.70496 -195.43621 6.26875 2.23745 -194.45880 575.13116
5380.0000 -201.15705 -194.73343 6.42362 2.16542 -195.79600 562.39979
5385.0000 -200.99855 -195.46424 5.53431 2.18623 -195.40969 562.86685
5390.0000 -200.78982 -194.39391 6.39591 2.21175 -194.93580 574.89753
5395.0000 -199.82658 -193.92099 5.90559 2.26422 -193.96178 603.45585
5400.0000 -199.75672 -194.16686 5.58986 2.22869 -194.62129 595.33984
5405.0000 -200.66687 -193.95208 6.71479 2.26916 -193.86988 602.52286
5410.0000 -200.07882 -194.40152 5.67730 2.24545 -194.31011 589.00656
5415.0000 -201.77543 -195.84030 5.93513 2.20648 -195.03374 568.50227
5420.0000 -199.84589 -193.66394 6.18196 2.23044 -194.58883 576.72261
5425.0000 -200.71490 -194.78803 5.92687 2.26433 -193.95959 602.47450
5430.0000 -200.79715 -194.26473 6.53242 2.25607 -194.11304 582.98293
5435.0000 -200.81114 -194.44522 6.36592 2.23136 -194.57179 581.84214
5440.0000 -200.05046 -193.72896 6.32150 2.28752 -193.52912 614.89583
5445.0000 -199.91734 -193.30115 6.61619 2.26887 -193.87543 590.99064
5450.0000 -200.44738 -194.17873 6.26865 2.26848 -193.88263 582.75895
5455.0000 -199.75923 -193.81167 5.94756 2.21644 -194.84878 537.59913
5460.0000 -199.45571 -193.78333 5.67238 2.26829 -193.88607 595.42079
5465.0000 -200.21279 -194.52051 5.69228 2.25362 -194.15852 586.21617
5470.0000 -201.17004 -195.80538 5.36466 2.18091 -195.50850 545.24102
5475.0000 -200.93775 -195.34612 5.59163 2.18098 -195.50709 539.34590
5480.0000 -200.00088 -194.27822 5.72267 2.18712 -195.39315 526.80780
5485.0000 -199.80293 -193.40257 6.40036 2.24354 -194.34561 567.69816
5490.0000 -200.50161 -193.96509 6.53651 2.28653 -193.54742 593.68809
5495.0000 -200.92915 -195.83628 5.09287 2.21806 -194.81880 538.31869
5500.0000 -201.14138 -194.53769 6.60369 2.18388 -195.45324 532.65345
FREEZING PROCESS: loop number 23 T-loop= 559.00000000000000
main_MD> interactions number 23 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.13558 -2.43871 0.50383
force_rgl> df(natom) 3.25870 -0.13809 1.14457
5505.0000 -200.43697 -194.91948 5.51749 2.21216 -194.92821 565.73926
5510.0000 -199.90097 -194.56128 5.33969 2.22487 -194.69232 578.51380
5515.0000 -201.22114 -194.43999 6.78115 2.23133 -194.57232 578.35788
5520.0000 -200.98155 -195.35358 5.62797 2.22706 -194.65155 566.33146
5525.0000 -201.56472 -196.09896 5.46576 2.15772 -195.93896 519.81161
5530.0000 -201.58396 -195.44910 6.13485 2.16889 -195.73164 540.13679
5535.0000 -201.91995 -196.26905 5.65090 2.18116 -195.50387 559.03566
5540.0000 -202.22193 -195.99167 6.23026 2.17757 -195.57042 586.93105
5545.0000 -202.05225 -196.32854 5.72371 2.14756 -196.12770 554.47978
5550.0000 -201.72346 -196.25227 5.47119 2.10306 -196.95388 536.45480
5555.0000 -201.36272 -195.76906 5.59366 2.13737 -196.31675 550.78793
5560.0000 -202.12547 -196.31593 5.80954 2.14825 -196.11485 570.99337
5565.0000 -202.40597 -196.24409 6.16188 2.15865 -195.92171 565.18389
5570.0000 -201.82607 -195.99497 5.83110 2.14515 -196.17232 565.38141
5575.0000 -202.64842 -197.42752 5.22090 2.09103 -197.17726 521.14914
5580.0000 -202.45181 -196.69508 5.75673 2.11456 -196.74040 537.48490
5585.0000 -202.18894 -196.38776 5.80118 2.14808 -196.11797 558.44691
5590.0000 -202.05825 -196.37222 5.68603 2.16845 -195.73984 585.48644
5595.0000 -202.69989 -197.64176 5.05813 2.10393 -196.93762 523.60056
5600.0000 -202.35377 -196.83810 5.51567 2.05579 -197.83154 477.35753
5605.0000 -201.88532 -196.31529 5.57003 2.14588 -196.15888 553.80011
5610.0000 -202.47566 -196.09862 6.37704 2.13762 -196.31224 551.71498
5615.0000 -201.79399 -196.77815 5.01584 2.10718 -196.87743 535.28994
5620.0000 -202.04928 -196.34139 5.70789 2.10439 -196.92922 525.39091
5625.0000 -202.04701 -195.85611 6.19091 2.14629 -196.15122 572.60671
5630.0000 -201.46145 -196.51303 4.94843 2.14898 -196.10130 571.82351
5635.0000 -202.52096 -196.54991 5.97105 2.12147 -196.61210 528.75488
5640.0000 -202.71646 -196.30944 6.40702 2.15786 -195.93641 555.35211
5645.0000 -201.83891 -195.90549 5.93342 2.18152 -195.49721 575.70325
5650.0000 -201.83371 -196.36740 5.46631 2.16817 -195.74494 553.82624
5655.0000 -201.48634 -195.85298 5.63336 2.14913 -196.09854 540.46976
5660.0000 -200.99929 -194.49618 6.50311 2.19730 -195.20414 564.49187
5665.0000 -199.90155 -194.63759 5.26397 2.22372 -194.71366 580.03200
5670.0000 -200.81402 -195.48699 5.32704 2.21263 -194.91961 560.35914
5675.0000 -201.14642 -194.75955 6.38687 2.20920 -194.98318 560.96048
5680.0000 -199.73314 -194.40625 5.32690 2.24252 -194.36455 599.43238
5685.0000 -200.30374 -195.56426 4.73948 2.19177 -195.30678 557.56590
5690.0000 -201.90065 -196.22554 5.67512 2.16313 -195.83851 535.57695
5695.0000 -201.43618 -196.19479 5.24138 2.13654 -196.33220 510.75163
5700.0000 -201.03048 -195.19185 5.83863 2.15819 -195.93037 521.01805
5705.0000 -200.65465 -194.93789 5.71675 2.19300 -195.28405 553.55274
5710.0000 -199.59784 -193.24417 6.35367 2.26159 -194.01044 591.62371
5715.0000 -200.49511 -194.84392 5.65119 2.27173 -193.82226 614.44774
5720.0000 -201.43088 -195.36462 6.06625 2.17467 -195.62435 530.75430
5725.0000 -201.93656 -195.76525 6.17130 2.15821 -195.92986 532.23390
5730.0000 -200.47165 -195.09828 5.37338 2.18065 -195.51324 572.60891
5735.0000 -200.86178 -195.54885 5.31293 2.18908 -195.35677 556.03961
5740.0000 -200.93677 -195.95515 4.98162 2.13389 -196.38139 547.59792
5745.0000 -201.17263 -195.38714 5.78548 2.17619 -195.59607 572.43597
5750.0000 -200.94923 -194.64582 6.30341 2.20039 -195.14681 577.82233
FREEZING PROCESS: loop number 24 T-loop= 534.00000000000000
main_MD> interactions number 24 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26056 -3.26065 -2.25896
force_rgl> df(natom) -0.72963 0.98008 0.74402
5755.0000 -201.60166 -195.69738 5.90428 2.19236 -195.29580 575.42941
5760.0000 -202.33496 -196.00692 6.32804 2.16842 -195.74037 550.31698
5765.0000 -201.52026 -196.20775 5.31252 2.14546 -196.16665 533.11076
5770.0000 -201.94615 -196.30748 5.63867 2.13327 -196.39294 504.29354
5775.0000 -201.19072 -194.97903 6.21169 2.15409 -196.00641 536.39986
5780.0000 -201.29712 -195.48632 5.81080 2.18336 -195.46294 550.05762
5785.0000 -201.92169 -196.52959 5.39210 2.18938 -195.35116 550.90004
5790.0000 -202.36421 -197.09469 5.26952 2.09943 -197.02119 502.09299
5795.0000 -201.89409 -195.29479 6.59930 2.13379 -196.38326 513.90537
5800.0000 -201.51118 -196.07977 5.43140 2.14302 -196.21197 515.53803
5805.0000 -200.25639 -194.75258 5.50381 2.19803 -195.19065 548.96995
5810.0000 -202.48112 -196.42450 6.05662 2.18300 -195.46972 539.61948
5815.0000 -201.18365 -195.67914 5.50452 2.17056 -195.70066 529.30712
5820.0000 -201.03010 -195.01103 6.01907 2.20693 -195.02537 566.24426
5825.0000 -200.76184 -195.23729 5.52455 2.21034 -194.96212 574.69418
5830.0000 -200.00667 -194.62262 5.38404 2.21154 -194.93976 563.80841
5835.0000 -201.30746 -195.26392 6.04354 2.23396 -194.52342 565.84731
5840.0000 -199.37498 -194.59322 4.78177 2.23729 -194.46171 601.57614
5845.0000 -201.20225 -195.66191 5.54034 2.20459 -195.06876 560.19399
5850.0000 -201.94496 -196.01362 5.93134 2.16049 -195.88752 551.23711
5855.0000 -201.79956 -196.67009 5.12947 2.14951 -196.09135 548.10672
5860.0000 -202.05979 -196.39122 5.66857 2.14320 -196.20853 538.80283
5865.0000 -201.78051 -195.83175 5.94876 2.14063 -196.25631 553.32800
5870.0000 -202.21788 -196.29641 5.92146 2.17760 -195.56993 576.92490
5875.0000 -201.88086 -196.09626 5.78459 2.14976 -196.08682 557.68777
5880.0000 -201.71845 -195.39028 6.32817 2.18977 -195.34391 564.19631
5885.0000 -201.05792 -194.65808 6.39983 2.21326 -194.90779 589.80215
5890.0000 -201.12737 -195.74378 5.38359 2.20818 -195.00205 577.03346
5895.0000 -200.89063 -194.88530 6.00533 2.17838 -195.55546 538.33392
5900.0000 -201.38272 -196.22068 5.16204 2.17395 -195.63775 518.96329
5905.0000 -201.04910 -195.04895 6.00016 2.16230 -195.85393 510.12071
5910.0000 -200.44968 -195.40486 5.04482 2.17967 -195.53156 536.67600
5915.0000 -200.21160 -194.78527 5.42634 2.20766 -195.01175 545.60449
5920.0000 -201.86494 -196.31960 5.54534 2.18241 -195.48067 559.29100
5925.0000 -201.77773 -196.58984 5.18789 2.13901 -196.28637 553.32027
5930.0000 -200.72648 -195.22324 5.50324 2.16141 -195.87058 531.52223
5935.0000 -201.60243 -196.38756 5.21487 2.15311 -196.02455 517.42759
5940.0000 -200.35324 -194.44579 5.90745 2.17723 -195.57686 536.43697
5945.0000 -200.68598 -195.02482 5.66116 2.20801 -195.00530 560.59225
5950.0000 -200.23117 -195.29197 4.93919 2.23561 -194.49286 553.62665
5955.0000 -200.61916 -195.48328 5.13587 2.19173 -195.30762 532.57568
5960.0000 -200.22077 -194.26388 5.95688 2.20721 -195.02018 569.65599
5965.0000 -201.55995 -195.82338 5.73657 2.19442 -195.25763 573.83808
5970.0000 -202.05587 -197.09923 4.95665 2.13022 -196.44949 528.45955
5975.0000 -201.41146 -196.25386 5.15761 2.09907 -197.02794 491.81605
5980.0000 -200.79699 -195.37761 5.41939 2.14959 -196.08994 521.51720
5985.0000 -201.40479 -195.32914 6.07565 2.20228 -195.11175 570.68138
5990.0000 -200.82411 -194.86877 5.95535 2.21883 -194.80450 595.97247
5995.0000 -201.78530 -196.01218 5.77312 2.18765 -195.38331 559.25761
6000.0000 -201.22542 -195.62510 5.60033 2.15327 -196.02164 519.11549
FREEZING PROCESS: loop number 25 T-loop= 509.00000000000000
main_MD> interactions number 25 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.52566 0.23144 0.42284
force_rgl> df(natom) 0.45843 -1.50484 -0.16128
6005.0000 -200.91493 -196.37607 4.53886 2.14899 -196.10105 498.29660
6010.0000 -202.40146 -196.95591 5.44555 2.12018 -196.63590 493.87362
6015.0000 -202.26431 -197.52062 4.74369 2.09629 -197.07958 486.76125
6020.0000 -202.91197 -196.97658 5.93539 2.07540 -197.46746 485.32974
6025.0000 -201.07991 -195.42675 5.65316 2.13411 -196.37731 538.28438
6030.0000 -202.42900 -197.08889 5.34011 2.13368 -196.38541 530.93314
6035.0000 -203.21190 -199.20316 4.00874 2.01998 -198.49626 480.58418
6040.0000 -202.04743 -197.56826 4.47917 2.02237 -198.45199 478.23251
6045.0000 -203.27679 -197.84150 5.43530 2.07742 -197.42991 506.20731
6050.0000 -203.02074 -198.02929 4.99145 2.06476 -197.66498 490.83775
6055.0000 -202.39974 -197.66505 4.73469 2.02608 -198.38302 469.30092
6060.0000 -203.11871 -197.27080 5.84792 2.06059 -197.74229 497.31441
6065.0000 -202.20590 -197.43992 4.76598 2.10566 -196.90565 526.45729
6070.0000 -202.04000 -196.87142 5.16858 2.09874 -197.03404 529.66076
6075.0000 -202.91820 -196.88557 6.03262 2.10852 -196.85255 541.06204
6080.0000 -202.21872 -196.83308 5.38564 2.11215 -196.78501 542.63000
6085.0000 -202.54041 -197.36186 5.17855 2.10661 -196.88789 534.23445
6090.0000 -202.63610 -197.48372 5.15238 2.05569 -197.83337 495.52715
6095.0000 -202.92201 -197.33000 5.59200 2.08931 -197.20909 520.67965
6100.0000 -203.14214 -197.63355 5.50859 2.04802 -197.97576 498.51702
6105.0000 -202.48879 -197.23901 5.24979 2.05741 -197.80147 503.78838
6110.0000 -203.81993 -197.57552 6.24441 2.09602 -197.08458 522.02367
6115.0000 -202.94964 -197.56092 5.38873 2.07454 -197.48338 508.27686
6120.0000 -202.67982 -197.57603 5.10379 2.06635 -197.63542 503.39718
6125.0000 -201.40029 -196.59177 4.80852 2.08544 -197.28105 514.20837
6130.0000 -201.96370 -197.23049 4.73321 2.09639 -197.07760 519.87588
6135.0000 -202.64123 -197.35551 5.28572 2.10121 -196.98828 538.55154
6140.0000 -203.23512 -198.00209 5.23303 2.07447 -197.48474 514.13635
6145.0000 -202.60588 -196.95026 5.65562 2.08819 -197.22989 510.72107
6150.0000 -203.47621 -196.54080 6.93541 2.09195 -197.16007 543.45311
6155.0000 -202.81530 -197.88040 4.93490 2.07252 -197.52092 526.80578
6160.0000 -202.24450 -196.37045 5.87404 2.07808 -197.41754 520.05961
6165.0000 -203.15213 -198.00353 5.14860 2.09472 -197.10865 524.11649
6170.0000 -202.88774 -197.93778 4.94996 2.06960 -197.57512 522.08063
6175.0000 -203.38711 -198.07726 5.30986 2.07737 -197.43090 517.36550
6180.0000 -202.72840 -197.36471 5.36369 2.04994 -197.94017 492.90389
6185.0000 -202.42323 -196.97640 5.44683 2.07739 -197.43050 519.31031
6190.0000 -202.55176 -197.51150 5.04026 2.06609 -197.64017 517.73935
6195.0000 -202.70729 -196.95851 5.74878 2.08999 -197.19651 521.62599
6200.0000 -202.52502 -197.96792 4.55710 2.06826 -197.59991 482.42317
6205.0000 -202.70170 -197.51953 5.18218 2.08342 -197.31845 486.96313
6210.0000 -202.16876 -197.46121 4.70756 2.05047 -197.93026 454.89387
6215.0000 -203.04637 -197.28175 5.76462 2.09731 -197.06066 492.06615
6220.0000 -202.69010 -197.82847 4.86164 2.05163 -197.90879 455.53168
6225.0000 -202.14938 -197.01806 5.13132 2.06180 -197.71995 463.36300
6230.0000 -201.47761 -196.55011 4.92750 2.13115 -196.43226 521.53558
6235.0000 -201.61216 -195.64708 5.96507 2.14199 -196.23108 499.87647
6240.0000 -201.63722 -195.81039 5.82684 2.16458 -195.81166 524.56364
6245.0000 -202.37165 -196.83670 5.53495 2.12731 -196.50363 522.69213
6250.0000 -202.02533 -196.76943 5.25590 2.11618 -196.71020 489.60209
FREEZING PROCESS: loop number 26 T-loop= 484.00000000000000
main_MD> interactions number 26 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29702 0.15421 2.76650
force_rgl> df(natom) 2.43337 -2.33087 -3.05009
6255.0000 -202.44229 -197.31714 5.12515 2.09426 -197.11720 488.36808
6260.0000 -201.96515 -196.92520 5.03995 2.10114 -196.98955 503.82502
6265.0000 -202.03980 -196.64882 5.39098 2.12935 -196.46572 526.68892
6270.0000 -202.38200 -196.99473 5.38727 2.09938 -197.02211 492.70373
6275.0000 -202.81429 -197.93957 4.87472 2.06560 -197.64931 478.38946
6280.0000 -201.43856 -196.65477 4.78380 2.07424 -197.48892 473.74914
6285.0000 -202.20976 -196.61093 5.59883 2.12126 -196.61588 506.58384
6290.0000 -202.11790 -196.70171 5.41619 2.09572 -197.09010 478.86640
6295.0000 -201.43069 -196.23957 5.19112 2.12659 -196.51702 503.70232
6300.0000 -203.20565 -198.05528 5.15038 2.10039 -197.00340 489.05633
6305.0000 -202.88460 -197.65976 5.22483 2.04835 -197.96969 474.57410
6310.0000 -204.19593 -199.15448 5.04145 2.02662 -198.37308 461.34641
6315.0000 -203.20979 -198.14871 5.06108 2.00962 -198.68874 441.89487
6320.0000 -203.11955 -197.76526 5.35429 2.05333 -197.87709 481.78885
6325.0000 -202.26471 -197.29311 4.97160 2.08285 -197.32908 473.52323
6330.0000 -202.52422 -197.90927 4.61495 2.08653 -197.26076 495.54075
6335.0000 -202.30102 -197.45181 4.84922 2.08194 -197.34598 518.41386
6340.0000 -203.04949 -197.93783 5.11165 2.02554 -198.39311 472.93607
6345.0000 -202.61933 -197.14887 5.47046 2.07077 -197.55330 486.89523
6350.0000 -203.27505 -198.39002 4.88503 2.04626 -198.00844 479.45994
6355.0000 -203.54923 -198.33612 5.21311 2.02560 -198.39194 471.00585
6360.0000 -203.43142 -197.76363 5.66779 2.04589 -198.01527 489.86129
6365.0000 -201.93193 -196.49288 5.43906 2.08008 -197.38042 521.14118
6370.0000 -202.40864 -197.68736 4.72128 2.10935 -196.83708 496.65116
6375.0000 -201.93943 -197.33969 4.59974 2.08235 -197.33832 494.78258
6380.0000 -203.47887 -198.86554 4.61333 2.06621 -197.63792 483.27598
6385.0000 -202.58275 -197.92639 4.65636 2.02429 -198.41628 440.99062
6390.0000 -203.63430 -197.74631 5.88799 2.07385 -197.49619 481.98318
6395.0000 -203.52412 -198.03211 5.49201 2.05801 -197.79029 505.64839
6400.0000 -203.64671 -198.72548 4.92123 2.00707 -198.73607 480.21158
6405.0000 -203.90945 -199.72903 4.18042 1.99689 -198.92502 470.52174
6410.0000 -204.19199 -199.68535 4.50664 1.95969 -199.61563 444.83219
6415.0000 -204.11875 -199.30292 4.81583 1.97611 -199.31079 450.13371
6420.0000 -203.56589 -198.22347 5.34242 2.01897 -198.51506 482.13204
6425.0000 -203.98276 -198.82321 5.15955 2.05885 -197.77468 520.98842
6430.0000 -203.77433 -199.14888 4.62545 1.97713 -199.29189 453.98343
6435.0000 -202.67312 -196.82270 5.85042 2.05584 -197.83056 504.30357
6440.0000 -202.60518 -196.63801 5.96717 2.09746 -197.05782 530.14467
6445.0000 -203.33247 -198.21145 5.12101 2.06165 -197.72264 507.10962
6450.0000 -203.48759 -197.96805 5.51954 2.05094 -197.92155 513.60994
6455.0000 -203.65198 -197.80058 5.85140 2.03292 -198.25609 496.74118
6460.0000 -203.07932 -197.61856 5.46076 2.06066 -197.74112 521.24931
6465.0000 -202.93566 -197.27398 5.66168 2.08173 -197.34986 519.62031
6470.0000 -203.30151 -198.12504 5.17647 2.06820 -197.60104 513.67752
6475.0000 -203.87211 -198.97864 4.89347 2.01976 -198.50034 477.09904
6480.0000 -203.30545 -197.80949 5.49596 2.04842 -197.96835 478.63064
6485.0000 -202.76852 -198.30945 4.45907 2.04925 -197.95295 466.59949
6490.0000 -203.15443 -198.24612 4.90831 2.06190 -197.71800 480.57938
6495.0000 -202.95311 -197.61806 5.33504 2.04013 -198.12220 469.67160
6500.0000 -202.69320 -198.03711 4.65609 2.05413 -197.86225 480.42944
FREEZING PROCESS: loop number 27 T-loop= 459.00000000000000
main_MD> interactions number 27 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42066 2.17031 0.30014
force_rgl> df(natom) -0.68485 0.47528 1.39882
6505.0000 -202.19656 -197.56492 4.63165 2.05853 -197.78056 495.50590
6510.0000 -202.72968 -197.24021 5.48946 2.10581 -196.90274 514.94735
6515.0000 -203.60044 -198.70359 4.89685 2.04473 -198.03688 485.74007
6520.0000 -203.42211 -199.33568 4.08643 1.98704 -199.10800 435.40550
6525.0000 -203.69206 -199.02931 4.66275 2.00744 -198.72923 461.13549
6530.0000 -203.17128 -197.81606 5.35522 2.02022 -198.49189 478.53560
6535.0000 -203.57470 -199.13296 4.44174 2.00710 -198.73546 470.25633
6540.0000 -203.97700 -199.82484 4.15216 1.97770 -199.28125 454.76093
6545.0000 -203.98038 -199.78145 4.19893 1.93293 -200.11255 412.24388
6550.0000 -204.26154 -199.52119 4.74035 1.99630 -198.93594 468.61032
6555.0000 -204.21669 -199.37432 4.84237 1.94809 -199.83113 429.33049
6560.0000 -203.55677 -198.03842 5.51835 1.98862 -199.07849 455.66714
6565.0000 -203.53535 -199.03538 4.49997 2.03307 -198.25322 495.61863
6570.0000 -203.28289 -197.80307 5.47983 2.02871 -198.33426 489.22443
6575.0000 -203.75750 -199.92380 3.83370 2.00307 -198.81028 478.25302
6580.0000 -203.74293 -199.09876 4.64417 1.95152 -199.76737 434.39721
6585.0000 -203.52288 -198.69467 4.82821 1.99096 -199.03505 460.89969
6590.0000 -203.74576 -199.48947 4.25629 1.99618 -198.93823 464.51699
6595.0000 -204.54475 -200.10533 4.43942 1.95451 -199.71193 431.59474
6600.0000 -204.39004 -199.77576 4.61428 1.96884 -199.44577 446.86674
6605.0000 -204.93061 -200.41087 4.51974 1.94857 -199.82215 421.88155
6610.0000 -203.78892 -199.27382 4.51510 1.93769 -200.02423 409.40775
6615.0000 -203.24075 -198.37343 4.86732 1.99385 -198.98155 454.79077
6620.0000 -202.63326 -198.18425 4.44901 2.04197 -198.08801 486.92251
6625.0000 -203.06179 -198.49380 4.56799 2.03457 -198.22551 467.34273
6630.0000 -201.99803 -197.72800 4.27004 2.01817 -198.52995 467.07473
6635.0000 -204.14621 -198.99197 5.15424 2.02031 -198.49021 463.82224
6640.0000 -203.07727 -198.40644 4.67082 2.01584 -198.57314 459.23296
6645.0000 -203.91558 -198.86591 5.04967 2.02247 -198.45018 462.89709
6650.0000 -203.24785 -198.14092 5.10693 2.01568 -198.57620 463.73736
6655.0000 -203.38127 -198.95399 4.42728 2.00008 -198.86582 455.18822
6660.0000 -203.95565 -200.43296 3.52269 1.96534 -199.51082 426.05391
6665.0000 -203.66415 -199.76982 3.89433 1.94321 -199.92161 408.05803
6670.0000 -203.22483 -198.90721 4.31762 1.97137 -199.39884 421.79234
6675.0000 -203.62586 -198.61069 5.01517 1.99306 -198.99614 436.84158
6680.0000 -202.78344 -198.13603 4.64742 2.03622 -198.19481 473.73965
6685.0000 -203.29698 -198.10920 5.18778 2.04492 -198.03328 480.21025
6690.0000 -203.77380 -198.46004 5.31376 2.01753 -198.54191 461.99960
6695.0000 -203.17103 -198.75225 4.41878 1.99612 -198.93941 455.92618
6700.0000 -204.16889 -199.38161 4.78728 2.00315 -198.80886 457.50289
6705.0000 -203.09826 -197.72662 5.37165 2.00417 -198.78995 459.74450
6710.0000 -203.58103 -198.68600 4.89503 2.02756 -198.35569 477.69264
6715.0000 -203.23752 -198.45740 4.78012 2.00815 -198.71591 452.74444
6720.0000 -202.37654 -197.03887 5.33766 2.05201 -197.90161 488.35805
6725.0000 -202.97335 -198.09445 4.87890 2.05524 -197.84168 487.46553
6730.0000 -203.15156 -198.58148 4.57008 1.99771 -198.90989 411.92259
6735.0000 -203.25801 -199.48533 3.77267 2.01032 -198.67573 431.47172
6740.0000 -203.20346 -199.24639 3.95707 1.96418 -199.53234 407.12684
6745.0000 -202.34181 -197.87223 4.46957 2.00628 -198.75061 439.88358
6750.0000 -203.71796 -198.61834 5.09962 2.04088 -198.10823 471.54477
FREEZING PROCESS: loop number 28 T-loop= 434.00000000000000
main_MD> interactions number 28 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27527 2.43380 -1.22446
force_rgl> df(natom) -1.29506 -0.00901 0.70113
6755.0000 -203.86193 -200.15395 3.70798 1.99500 -198.96013 437.40206
6760.0000 -204.33808 -200.70435 3.63373 1.93404 -200.09187 389.41536
6765.0000 -203.74566 -199.43309 4.31257 1.94387 -199.90941 390.22370
6770.0000 -202.75465 -197.93401 4.82065 2.01980 -198.49959 449.38605
6775.0000 -202.52035 -198.36318 4.15717 2.02691 -198.36761 459.96022
6780.0000 -203.31504 -198.38439 4.93065 2.03200 -198.27322 456.20641
6785.0000 -203.72709 -198.89438 4.83271 2.03416 -198.23315 463.18158
6790.0000 -203.08752 -198.45524 4.63228 1.99621 -198.93774 425.74944
6795.0000 -202.76729 -197.91718 4.85011 2.04449 -198.04129 467.67245
6800.0000 -203.37511 -198.75861 4.61650 2.02543 -198.39515 466.53248
6805.0000 -203.85642 -199.06359 4.79283 1.97924 -199.25277 435.65455
6810.0000 -204.02894 -199.63552 4.39342 1.97324 -199.36405 445.77466
6815.0000 -203.51111 -199.35469 4.15642 1.96233 -199.56671 426.71645
6820.0000 -203.93583 -198.96337 4.97245 1.98702 -199.10826 452.90792
6825.0000 -204.56134 -199.85616 4.70518 1.97948 -199.24830 445.37203
6830.0000 -204.16175 -198.95558 5.20617 1.97464 -199.33816 446.13588
6835.0000 -203.63976 -198.99249 4.64727 1.96099 -199.59159 429.68391
6840.0000 -204.04654 -199.36545 4.68109 1.99520 -198.95634 457.59310
6845.0000 -204.12812 -199.56981 4.55831 1.98630 -199.12173 452.67485
6850.0000 -203.42057 -199.11311 4.30745 1.96619 -199.49509 440.74619
6855.0000 -204.43528 -199.79897 4.63631 1.98426 -199.15956 450.05304
6860.0000 -204.79576 -200.67375 4.12201 1.93866 -200.00624 424.86695
6865.0000 -204.35930 -199.81583 4.54346 1.92499 -200.25995 411.98444
6870.0000 -204.57840 -200.24092 4.33748 1.94154 -199.95262 428.69205
6875.0000 -204.67741 -200.34230 4.33511 1.94358 -199.91478 431.76834
6880.0000 -204.53133 -199.87454 4.65679 1.92327 -200.29194 416.39905
6885.0000 -204.64124 -200.52602 4.11522 1.92691 -200.22436 415.21789
6890.0000 -204.24269 -200.01874 4.22395 1.92255 -200.30531 408.26373
6895.0000 -204.81466 -200.38944 4.42522 1.92428 -200.27316 410.40101
6900.0000 -204.38969 -200.66070 3.72899 1.91695 -200.40923 401.25033
6905.0000 -203.39161 -198.93246 4.45915 1.94665 -199.85775 427.43076
6910.0000 -204.64619 -200.13734 4.50884 1.97377 -199.35426 431.34280
6915.0000 -204.54695 -199.55272 4.99423 1.93522 -200.07003 416.46456
6920.0000 -204.77696 -200.43175 4.34520 1.94448 -199.89816 421.70376
6925.0000 -204.16996 -199.94986 4.22010 1.93801 -200.01830 423.14578
6930.0000 -204.76178 -200.43396 4.32782 1.90419 -200.64622 393.77597
6935.0000 -204.47223 -200.57375 3.89848 1.90912 -200.55464 397.83033
6940.0000 -204.70105 -199.96228 4.73877 1.93151 -200.13883 413.79857
6945.0000 -204.14389 -199.42534 4.71855 1.94930 -199.80858 428.75667
6950.0000 -203.74960 -198.82996 4.91963 1.98832 -199.08415 453.68800
6955.0000 -202.64662 -197.77853 4.86809 2.02457 -198.41115 481.25934
6960.0000 -204.60103 -198.99199 5.60904 2.00731 -198.73151 451.13791
6965.0000 -204.27381 -199.51795 4.75586 1.97964 -199.24525 440.18582
6970.0000 -204.22646 -199.38662 4.83983 1.95119 -199.77345 430.02477
6975.0000 -204.22971 -198.88731 5.34240 1.98491 -199.14751 462.12094
6980.0000 -204.43740 -199.77098 4.66642 1.97873 -199.26218 449.81578
6985.0000 -204.22897 -200.04347 4.18550 1.93724 -200.03250 420.36327
6990.0000 -203.40100 -198.84666 4.55434 1.95632 -199.67818 434.25851
6995.0000 -204.68011 -200.45170 4.22841 1.93924 -199.99536 416.30642
7000.0000 -204.31684 -199.61271 4.70413 1.96687 -199.48238 431.09096
FREEZING PROCESS: loop number 29 T-loop= 409.00000000000000
main_MD> interactions number 29 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21242 -1.16968 1.12335
force_rgl> df(natom) 0.63723 1.31394 0.26696
7005.0000 -204.17739 -199.73599 4.44140 1.94529 -199.88301 419.02472
7010.0000 -203.93993 -200.26137 3.67856 1.94499 -199.88872 403.21493
7015.0000 -203.55943 -199.68890 3.87052 1.93157 -200.13777 394.34049
7020.0000 -203.55881 -199.82224 3.73657 1.95052 -199.78603 413.70429
7025.0000 -204.81001 -200.57284 4.23717 1.90848 -200.56643 385.70194
7030.0000 -203.89312 -199.46249 4.43063 1.96440 -199.52833 437.86290
7035.0000 -203.44478 -198.84059 4.60418 1.98611 -199.12525 447.05236
7040.0000 -204.87471 -200.17607 4.69863 1.97404 -199.34927 438.73702
7045.0000 -203.75732 -199.82136 3.93596 1.93983 -199.98451 398.89683
7050.0000 -204.00053 -199.55475 4.44578 1.94887 -199.81663 418.94613
7055.0000 -204.87849 -201.65932 3.21917 1.91137 -200.51275 388.32619
7060.0000 -203.88358 -200.08700 3.79657 1.90209 -200.68510 375.43653
7065.0000 -204.88184 -200.58047 4.30137 1.93309 -200.10961 399.91482
7070.0000 -204.37868 -200.06238 4.31630 1.91507 -200.44409 392.67484
7075.0000 -204.84664 -200.71350 4.13315 1.91350 -200.47327 381.85988
7080.0000 -204.36689 -199.58007 4.78683 1.93330 -200.10558 411.07735
7085.0000 -204.03187 -199.25184 4.78003 1.94144 -199.95458 411.95704
7090.0000 -204.47467 -199.99641 4.47826 1.92595 -200.24207 402.07346
7095.0000 -204.40690 -200.15244 4.25446 1.92561 -200.24835 424.24633
7100.0000 -204.47543 -199.89492 4.58051 1.94954 -199.80412 439.93147
7105.0000 -204.62426 -199.54237 5.08190 1.95867 -199.63464 441.43608
7110.0000 -204.60701 -200.18485 4.42216 1.96446 -199.52723 442.62605
7115.0000 -204.49140 -200.64741 3.84400 1.91610 -200.42496 403.36787
7120.0000 -204.46327 -200.49643 3.96684 1.90043 -200.71600 393.18175
7125.0000 -204.63138 -200.83587 3.79550 1.89742 -200.77189 388.18986
7130.0000 -204.50897 -200.61077 3.89820 1.90882 -200.56014 397.73696
7135.0000 -204.28575 -200.35106 3.93468 1.91315 -200.47980 392.00485
7140.0000 -204.76834 -201.20741 3.56094 1.89396 -200.83616 389.77636
7145.0000 -204.78094 -200.42851 4.35243 1.92234 -200.30914 410.89674
7150.0000 -205.09415 -201.26144 3.83271 1.87013 -201.27841 369.28388
7155.0000 -205.17679 -200.22537 4.95142 1.88655 -200.97364 379.93075
7160.0000 -203.81995 -198.88149 4.93846 1.96608 -199.49715 436.80250
7165.0000 -204.40398 -199.87378 4.53021 1.96525 -199.51252 438.02634
7170.0000 -204.39615 -200.10513 4.29102 1.95532 -199.69691 427.37509
7175.0000 -204.69641 -200.63913 4.05728 1.89356 -200.84348 380.19895
7180.0000 -205.14021 -200.60022 4.53999 1.91101 -200.51950 394.17514
7185.0000 -204.10424 -200.09829 4.00595 1.92014 -200.34996 408.00507
7190.0000 -204.58674 -200.34401 4.24273 1.93798 -200.01882 417.38118
7195.0000 -204.53557 -200.04098 4.49459 1.95299 -199.74015 430.69122
7200.0000 -205.17197 -201.11173 4.06024 1.91171 -200.50648 399.45684
7205.0000 -205.12878 -201.10942 4.01936 1.88186 -201.06071 380.51428
7210.0000 -204.93879 -201.15829 3.78050 1.89499 -200.81701 389.52829
7215.0000 -205.50398 -201.20417 4.29981 1.88123 -201.07246 380.38925
7220.0000 -204.75020 -200.98344 3.76676 1.86178 -201.43360 363.22571
7225.0000 -205.23928 -200.99209 4.24719 1.89071 -200.89636 386.82872
7230.0000 -204.53128 -200.45539 4.07589 1.90772 -200.58052 400.74471
7235.0000 -205.15385 -201.18815 3.96570 1.88595 -200.98487 383.26179
7240.0000 -204.59328 -200.29435 4.29893 1.90505 -200.63012 397.86820
7245.0000 -204.52080 -200.10593 4.41487 1.92052 -200.34299 410.32220
7250.0000 -205.00672 -201.04163 3.96508 1.90087 -200.70774 396.92682
FREEZING PROCESS: loop number 30 T-loop= 384.00000000000000
main_MD> interactions number 30 at Temperature= 384.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11214 -0.37518 0.11812
force_rgl> df(natom) 0.55397 -0.15921 0.39681
7255.0000 -204.48026 -200.09380 4.38646 1.91262 -200.48966 406.96147
7260.0000 -204.30764 -200.63076 3.67688 1.92901 -200.18533 414.09820
7265.0000 -205.21978 -202.03804 3.18174 1.87858 -201.12165 378.82188
7270.0000 -205.68021 -202.07291 3.60730 1.82594 -202.09893 334.53505
7275.0000 -205.03856 -201.30751 3.73105 1.85012 -201.65007 356.98425
7280.0000 -204.26393 -200.08312 4.18080 1.90166 -200.69313 397.15360
7285.0000 -204.83480 -200.08602 4.74878 1.91095 -200.52056 403.66020
7290.0000 -205.35708 -201.58241 3.77467 1.88302 -201.03921 378.18645
7295.0000 -205.41674 -202.01227 3.40447 1.84384 -201.76652 350.66165
7300.0000 -204.86415 -201.31362 3.55053 1.84871 -201.67611 351.21430
7305.0000 -204.17715 -200.26389 3.91326 1.91156 -200.50935 402.01303
7310.0000 -204.52909 -199.86417 4.66492 1.93828 -200.01328 417.57025
7315.0000 -205.03790 -200.33699 4.70091 1.94881 -199.81766 427.46417
7320.0000 -204.81547 -200.91675 3.89872 1.90959 -200.54585 391.46372
7325.0000 -205.11130 -201.19564 3.91565 1.90452 -200.63993 383.79085
7330.0000 -204.35656 -200.32807 4.02849 1.90551 -200.62155 392.66816
7335.0000 -204.42175 -200.60760 3.81415 1.90844 -200.56715 389.83063
7340.0000 -204.30621 -200.00523 4.30098 1.91944 -200.36293 404.97593
7345.0000 -204.55945 -200.72936 3.83009 1.91898 -200.37147 395.67081
7350.0000 -205.05422 -201.06818 3.98604 1.88995 -200.91047 379.36262
7355.0000 -204.86761 -200.70311 4.16450 1.88881 -200.93160 375.76096
7360.0000 -204.77422 -201.13773 3.63649 1.90580 -200.61626 389.81568
7365.0000 -204.65006 -200.52112 4.12894 1.89060 -200.89845 374.93424
7370.0000 -204.22986 -200.04168 4.18817 1.93352 -200.10154 412.32821
7375.0000 -204.75260 -200.22418 4.52842 1.92201 -200.31530 403.75466
7380.0000 -203.93103 -199.25838 4.67265 1.94298 -199.92592 409.64807
7385.0000 -204.31283 -200.04111 4.27172 1.95613 -199.68176 418.91695
7390.0000 -204.29748 -200.75353 3.54395 1.90319 -200.66473 380.62534
7395.0000 -203.34911 -199.57958 3.76953 1.91391 -200.46560 378.08567
7400.0000 -203.76814 -199.45259 4.31554 1.98063 -199.22688 435.31379
7405.0000 -204.20049 -200.67032 3.53017 1.94323 -199.92127 395.96504
7410.0000 -204.46183 -200.24602 4.21581 1.91685 -200.41101 380.74355
7415.0000 -204.34502 -200.16343 4.18159 1.92820 -200.20028 383.17205
7420.0000 -204.52885 -199.72395 4.80490 1.94713 -199.84898 405.92223
7425.0000 -204.35585 -200.75153 3.60432 1.91315 -200.47977 395.10694
7430.0000 -204.51791 -200.01666 4.50126 1.91898 -200.37155 390.24757
7435.0000 -205.02249 -201.07743 3.94506 1.91268 -200.48843 391.15308
7440.0000 -204.87040 -201.24450 3.62590 1.90997 -200.53888 393.96551
7445.0000 -204.52126 -200.61145 3.90981 1.90735 -200.58739 380.19239
7450.0000 -204.30778 -200.19852 4.10925 1.89680 -200.78332 378.68831
7455.0000 -203.77362 -199.99662 3.77700 1.93906 -199.99867 411.21396
7460.0000 -204.58712 -200.67196 3.91516 1.90658 -200.60172 386.75428
7465.0000 -205.21517 -201.42390 3.79128 1.89458 -200.82463 385.11987
7470.0000 -205.20103 -201.47008 3.73095 1.86948 -201.29065 365.87248
7475.0000 -204.84068 -201.26433 3.57635 1.85101 -201.63350 349.93363
7480.0000 -204.91104 -201.19000 3.72103 1.88029 -201.08982 365.02498
7485.0000 -205.44482 -202.08278 3.36203 1.84763 -201.69619 342.96609
7490.0000 -204.89895 -201.15665 3.74231 1.86690 -201.33845 355.15781
7495.0000 -204.70874 -200.84020 3.86855 1.88801 -200.94645 377.70165
7500.0000 -204.90415 -201.12894 3.77521 1.88918 -200.92490 381.41692
FREEZING PROCESS: loop number 31 T-loop= 359.00000000000000
main_MD> interactions number 31 at Temperature= 359.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09137 0.56811 -1.26216
force_rgl> df(natom) 4.10034 -1.51972 -2.31645
7505.0000 -205.13998 -201.55603 3.58395 1.85754 -201.51219 359.14820
7510.0000 -205.19731 -201.74032 3.45698 1.86229 -201.42413 362.03804
7515.0000 -205.23000 -201.73111 3.49890 1.85376 -201.58236 353.01579
7520.0000 -205.00525 -201.10879 3.89647 1.87975 -201.09997 371.52399
7525.0000 -204.88696 -201.14606 3.74090 1.86705 -201.33576 350.93067
7530.0000 -205.00561 -200.86405 4.14156 1.87565 -201.17600 358.45110
7535.0000 -204.52272 -200.64174 3.88098 1.86805 -201.31712 354.88921
7540.0000 -204.86927 -201.63529 3.23397 1.87444 -201.19852 367.71356
7545.0000 -205.65364 -201.71259 3.94105 1.86420 -201.38852 356.80426
7550.0000 -205.38177 -201.77149 3.61028 1.84642 -201.71869 352.03606
7555.0000 -205.46582 -202.26077 3.20505 1.82190 -202.17389 328.37391
7560.0000 -204.89273 -201.09996 3.79276 1.83539 -201.92349 340.52927
7565.0000 -205.43408 -201.96743 3.46665 1.85932 -201.47913 359.34230
7570.0000 -205.20531 -201.64054 3.56477 1.83026 -202.01865 337.93340
7575.0000 -204.89775 -201.09168 3.80607 1.84844 -201.68123 348.92059
7580.0000 -205.82384 -201.86086 3.96298 1.85889 -201.48719 360.76309
7585.0000 -205.64626 -202.30083 3.34543 1.80490 -202.48963 315.95590
7590.0000 -205.78337 -202.27916 3.50422 1.80232 -202.53745 316.50907
7595.0000 -205.23625 -201.48496 3.75129 1.83741 -201.88607 342.04386
7600.0000 -205.19835 -201.77341 3.42493 1.86003 -201.46593 364.64090
7605.0000 -204.56091 -201.06603 3.49488 1.84805 -201.68853 351.63672
7610.0000 -204.94206 -201.16408 3.77798 1.86817 -201.31490 362.55241
7615.0000 -204.95359 -201.20093 3.75265 1.88107 -201.07541 365.00241
7620.0000 -204.83605 -201.05342 3.78263 1.85664 -201.52894 338.18647
7625.0000 -205.62285 -202.00083 3.62202 1.86080 -201.45174 337.23990
7630.0000 -205.17638 -201.47080 3.70559 1.85349 -201.58739 328.86664
7635.0000 -204.66419 -199.63494 5.02925 1.90014 -200.72133 369.45229
7640.0000 -204.26795 -200.57796 3.68999 1.92878 -200.18959 406.71714
7645.0000 -205.19956 -201.43828 3.76129 1.88950 -200.91883 376.37875
7650.0000 -204.52322 -200.85267 3.67055 1.85359 -201.58560 353.97794
7655.0000 -205.35024 -201.91025 3.43999 1.85304 -201.59583 356.33701
7660.0000 -205.54003 -201.89489 3.64514 1.83436 -201.94271 337.67545
7665.0000 -205.47036 -202.47982 2.99054 1.83525 -201.92606 337.96660
7670.0000 -205.05927 -201.84547 3.21381 1.82433 -202.12880 336.65662
7675.0000 -205.29611 -200.76286 4.53325 1.89203 -200.87189 388.50633
7680.0000 -205.36766 -201.31933 4.04833 1.88127 -201.07171 379.30145
7685.0000 -205.49732 -202.06084 3.43648 1.83211 -201.98438 339.40124
7690.0000 -205.07968 -201.51376 3.56592 1.86415 -201.38956 363.66511
7695.0000 -205.42338 -201.36465 4.05873 1.86150 -201.43865 360.09950
7700.0000 -206.07599 -202.15487 3.92112 1.85443 -201.56993 348.52923
7705.0000 -205.06899 -201.25973 3.80926 1.84673 -201.71300 346.20625
7710.0000 -205.20781 -201.64212 3.56569 1.85913 -201.48273 357.76906
7715.0000 -205.53900 -202.04488 3.49412 1.83531 -201.92495 341.03288
7720.0000 -204.78961 -200.98941 3.80020 1.85879 -201.48899 358.74380
7725.0000 -205.25330 -201.57629 3.67701 1.86908 -201.29794 369.85786
7730.0000 -204.92578 -200.91804 4.00774 1.87080 -201.26603 364.49865
7735.0000 -205.47360 -201.48254 3.99107 1.87801 -201.13213 373.27865
7740.0000 -205.39781 -201.69616 3.70164 1.83839 -201.86774 345.36827
7745.0000 -205.48165 -202.04327 3.43838 1.83908 -201.85493 347.03536
7750.0000 -205.51955 -201.94282 3.57673 1.83473 -201.93574 335.29681
FREEZING PROCESS: loop number 32 T-loop= 334.00000000000000
main_MD> interactions number 32 at Temperature= 334.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48347 0.14917 -1.15202
force_rgl> df(natom) -0.25792 -0.27374 1.48952
7755.0000 -205.83361 -202.60278 3.23084 1.82726 -202.07441 335.02853
7760.0000 -205.97821 -202.79140 3.18681 1.78876 -202.78930 305.68631
7765.0000 -205.68385 -202.28244 3.40141 1.80980 -202.39858 319.24682
7770.0000 -205.00246 -201.24302 3.75944 1.84127 -201.81432 345.36337
7775.0000 -205.64643 -201.96656 3.67987 1.84598 -201.72693 346.75532
7780.0000 -205.58083 -202.56051 3.02033 1.83435 -201.94282 339.91415
7785.0000 -205.53471 -202.35924 3.17547 1.80067 -202.56814 311.89508
7790.0000 -205.35333 -201.33397 4.01937 1.84050 -201.82859 342.43141
7795.0000 -205.75711 -201.92432 3.83280 1.85584 -201.54383 355.47560
7800.0000 -205.50538 -201.76387 3.74151 1.83421 -201.94533 336.78619
7805.0000 -205.48871 -201.68301 3.80570 1.84496 -201.74575 347.73712
7810.0000 -205.44917 -201.64581 3.80336 1.84467 -201.75121 346.41180
7815.0000 -205.30431 -201.87549 3.42882 1.84682 -201.71121 351.17208
7820.0000 -205.61429 -202.36989 3.24440 1.80856 -202.42160 315.63549
7825.0000 -205.47693 -201.73661 3.74031 1.81973 -202.21420 320.21356
7830.0000 -205.32205 -201.31173 4.01032 1.85096 -201.63444 350.18568
7835.0000 -205.48333 -202.14688 3.33644 1.83590 -201.91406 339.13346
7840.0000 -205.46839 -202.19954 3.26885 1.83566 -201.91853 338.91976
7845.0000 -205.59504 -201.96769 3.62735 1.83619 -201.90871 342.08089
7850.0000 -205.79571 -202.67569 3.12002 1.79453 -202.68217 301.40417
7855.0000 -205.86492 -202.61505 3.24987 1.81774 -202.25125 321.16144
7860.0000 -205.07817 -202.16651 2.91167 1.79254 -202.71905 298.17410
7865.0000 -205.36647 -202.06274 3.30373 1.83628 -201.90690 332.59454
7870.0000 -205.63045 -202.16291 3.46754 1.83399 -201.94955 335.04325
7875.0000 -205.59625 -202.22680 3.36945 1.82604 -202.09715 325.60989
7880.0000 -205.36936 -201.45068 3.91868 1.82978 -202.02773 335.40660
7885.0000 -205.45888 -201.55686 3.90202 1.85129 -201.62832 356.13245
7890.0000 -205.41870 -201.67182 3.74687 1.84021 -201.83403 347.21311
7895.0000 -205.74644 -202.41428 3.33216 1.82271 -202.15896 332.56797
7900.0000 -205.58462 -201.86641 3.71821 1.82621 -202.09399 336.38868
7905.0000 -205.90250 -201.51189 4.39061 1.87225 -201.23907 371.24491
7910.0000 -205.06711 -201.29086 3.77625 1.87098 -201.26278 371.28975
7915.0000 -205.61446 -202.34810 3.26636 1.84794 -201.69040 348.97096
7920.0000 -205.33035 -201.24792 4.08244 1.84211 -201.79868 345.27674
7925.0000 -205.57383 -202.01320 3.56063 1.87492 -201.18965 374.01556
7930.0000 -205.89254 -202.28124 3.61130 1.82546 -202.10783 333.76139
7935.0000 -205.32883 -202.42768 2.90115 1.80370 -202.51192 312.15398
7940.0000 -205.47720 -201.89327 3.58393 1.81967 -202.21544 328.06917
7945.0000 -205.91778 -201.90734 4.01044 1.82573 -202.10287 333.46579
7950.0000 -205.70936 -202.26586 3.44350 1.80663 -202.45737 317.90382
7955.0000 -205.44941 -201.68611 3.76329 1.84683 -201.71117 350.29337
7960.0000 -205.46867 -201.43959 4.02908 1.85565 -201.54736 354.97538
7965.0000 -205.55903 -202.37300 3.18604 1.83706 -201.89245 333.32882
7970.0000 -205.34374 -201.89466 3.44908 1.82984 -202.02649 336.75713
7975.0000 -205.09356 -201.47010 3.62346 1.84437 -201.75676 348.56474
7980.0000 -205.52598 -201.93671 3.58927 1.83866 -201.86288 347.01831
7985.0000 -205.74194 -202.45768 3.28427 1.82743 -202.07131 336.87012
7990.0000 -205.78460 -202.84068 2.94392 1.81241 -202.35014 322.56498
7995.0000 -206.38271 -202.97589 3.40682 1.79633 -202.64871 307.90796
8000.0000 -205.44102 -202.61381 2.82721 1.79106 -202.74648 304.84442
FREEZING PROCESS: loop number 33 T-loop= 309.00000000000000
main_MD> interactions number 33 at Temperature= 309.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39548 1.53391 0.97770
force_rgl> df(natom) -1.40963 -0.36891 -0.12729
8005.0000 -205.92389 -202.60331 3.32058 1.80120 -202.55830 313.89020
8010.0000 -205.70148 -202.69076 3.01072 1.79916 -202.59615 312.04678
8015.0000 -205.65807 -202.86472 2.79334 1.78029 -202.94655 292.57018
8020.0000 -205.86364 -202.51337 3.35027 1.79156 -202.73733 307.27549
8025.0000 -205.41788 -201.71147 3.70641 1.82196 -202.17282 327.04064
8030.0000 -205.64941 -202.52852 3.12089 1.83025 -202.01887 334.71804
8035.0000 -206.02270 -202.58812 3.43458 1.80047 -202.57187 304.42333
8040.0000 -205.85154 -202.57941 3.27213 1.81753 -202.25504 321.90982
8045.0000 -205.54252 -202.33643 3.20609 1.81722 -202.26086 320.13905
8050.0000 -205.26541 -202.45708 2.80833 1.82082 -202.19401 322.63119
8055.0000 -205.96861 -203.13074 2.83787 1.77717 -203.00444 283.38418
8060.0000 -205.66408 -202.98651 2.67757 1.76940 -203.14867 284.75315
8065.0000 -205.64887 -202.55474 3.09413 1.79024 -202.76183 304.98301
8070.0000 -205.94656 -202.93656 3.00999 1.77388 -203.06545 290.69350
8075.0000 -205.82857 -203.05827 2.77030 1.77042 -203.12969 286.88823
8080.0000 -205.92014 -203.15398 2.76615 1.76400 -203.24889 281.80549
8085.0000 -206.07273 -203.18771 2.88502 1.75275 -203.45779 271.33246
8090.0000 -205.68321 -202.30894 3.37427 1.78059 -202.94097 298.08165
8095.0000 -206.05273 -202.76475 3.28798 1.78848 -202.79436 301.95547
8100.0000 -205.91957 -202.94968 2.96989 1.77500 -203.04474 290.68855
8105.0000 -205.88094 -202.75524 3.12570 1.79315 -202.70769 303.84531
8110.0000 -206.04712 -202.69273 3.35439 1.79281 -202.71410 304.18603
8115.0000 -205.10381 -201.99106 3.11275 1.81615 -202.28071 324.31671
8120.0000 -205.78519 -202.40149 3.38370 1.79960 -202.58806 308.97922
8125.0000 -204.91276 -201.51629 3.39647 1.82671 -202.08459 327.04402
8130.0000 -205.59802 -202.27249 3.32553 1.83249 -201.97734 338.37509
8135.0000 -205.84266 -202.69688 3.14578 1.79382 -202.69530 305.94734
8140.0000 -206.03878 -202.55310 3.48568 1.81074 -202.38119 321.40940
8145.0000 -205.99163 -202.92170 3.06993 1.79511 -202.67127 307.44745
8150.0000 -205.51993 -202.51361 3.00633 1.78423 -202.87326 296.81953
8155.0000 -205.73734 -202.82153 2.91580 1.80287 -202.52731 313.21673
8160.0000 -205.84783 -202.67999 3.16785 1.79797 -202.61828 310.55987
8165.0000 -206.49020 -203.28433 3.20587 1.77614 -203.02354 290.99486
8170.0000 -206.15665 -203.07428 3.08238 1.76087 -203.30713 278.60594
8175.0000 -206.21032 -203.18309 3.02722 1.76192 -203.28765 278.92402
8180.0000 -205.87275 -202.82940 3.04335 1.79648 -202.64586 311.14951
8185.0000 -206.27775 -203.08599 3.19177 1.79378 -202.69606 302.82775
8190.0000 -205.47470 -202.83695 2.63775 1.78180 -202.91853 289.86620
8195.0000 -205.87559 -203.01673 2.85886 1.80010 -202.57874 305.08847
8200.0000 -205.75703 -202.70405 3.05298 1.77078 -203.12300 278.34358
8205.0000 -205.51012 -202.54226 2.96786 1.81727 -202.25987 318.00666
8210.0000 -206.21871 -203.30791 2.91080 1.78620 -202.83673 295.27882
8215.0000 -205.54192 -202.48772 3.05420 1.77977 -202.95615 285.71427
8220.0000 -206.32231 -202.70279 3.61952 1.81883 -202.23104 320.78494
8225.0000 -206.01763 -203.05513 2.96250 1.79114 -202.74509 310.92326
8230.0000 -206.01063 -203.07042 2.94021 1.76286 -203.27008 286.50754
8235.0000 -205.99376 -202.73586 3.25790 1.77131 -203.11314 294.81558
8240.0000 -206.00080 -202.99219 3.00861 1.79053 -202.75630 305.92883
8245.0000 -206.45682 -202.85252 3.60431 1.75573 -203.40251 281.50433
8250.0000 -205.22704 -202.43661 2.79043 1.79621 -202.65088 311.66013
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 56.0237381 [s].
main_MD> Deallocating global variables
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