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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_96/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_96.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 = 96 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 96 9600
main_MD> Size of nv and nvoiz: 96 9600
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 = 96
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> 8.5144174922236956E-002 -1.9340258090771556E-002 -9.9081839543110561E-002 initial drift of cluster / NP1 for coalescence
init> 0.33839235928821837 0.35486350933012334 0.33629097847110384 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7516338460444991E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41007 -0.77035 -1.74383
force_rgl> df(natom) -3.64516 1.24190 -0.59559
preparo> THERMALIZATION PROCESS AT 1222.1080659149636
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -216.39135093664291 13.517441989797057 -229.90879292643996 6.7104702358378155E-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 36
FREEZING PROCESS: loop number 1 T-loop= 1196.0000000000000
main_MD> interactions number 1 at Temperature= 1196.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06857 0.50680 0.35886
force_rgl> df(natom) -4.09191 -1.65404 0.02538
5.0000 -226.96220 -212.75166 14.21054 3.27593 -214.51711 1165.40432
10.0000 -226.47295 -209.94789 16.52506 3.43836 -211.11163 1259.87094
15.0000 -229.27427 -214.78761 14.48666 3.39291 -212.06442 1237.54755
20.0000 -227.25087 -211.91231 15.33856 3.35202 -212.92186 1195.08135
25.0000 -224.97808 -210.78893 14.18915 3.41969 -211.50298 1242.10095
30.0000 -224.07742 -206.88231 17.19511 3.52598 -209.27452 1327.38272
35.0000 -227.28587 -212.54218 14.74369 3.47129 -210.42118 1267.26709
40.0000 -228.64885 -215.75655 12.89230 3.29459 -214.12596 1195.01865
45.0000 -229.43459 -215.57682 13.85777 3.24487 -215.16837 1156.33776
50.0000 -227.16774 -211.18840 15.97934 3.26526 -214.74072 1172.44498
55.0000 -228.94449 -214.89382 14.05067 3.37475 -212.44519 1208.98350
60.0000 -223.90237 -209.09137 14.81100 3.33549 -213.26828 1183.51888
65.0000 -225.14469 -209.61805 15.52664 3.52342 -209.32820 1347.61482
70.0000 -228.17817 -213.38329 14.79487 3.43080 -211.27003 1261.64698
75.0000 -224.33825 -211.00167 13.33658 3.41898 -211.51781 1257.29156
80.0000 -229.01893 -214.39135 14.62758 3.32519 -213.48436 1167.88598
85.0000 -228.12644 -213.83866 14.28777 3.28200 -214.38987 1210.74409
90.0000 -227.08613 -211.85639 15.22974 3.30601 -213.88648 1202.49097
95.0000 -226.93491 -213.54972 13.38520 3.37568 -212.42580 1226.66674
100.0000 -228.36324 -213.00504 15.35820 3.34832 -212.99928 1223.45932
105.0000 -229.92192 -212.69484 17.22708 3.36691 -212.60964 1220.94805
110.0000 -227.13961 -212.03789 15.10172 3.38530 -212.22400 1243.05944
115.0000 -225.29788 -209.47698 15.82090 3.42532 -211.38491 1267.70866
120.0000 -226.47463 -210.23034 16.24428 3.48397 -210.15541 1314.85949
125.0000 -226.80981 -209.32710 17.48271 3.48404 -210.15381 1283.55823
130.0000 -226.37478 -210.67845 15.69633 3.43717 -211.13648 1228.13625
135.0000 -228.35627 -214.29270 14.06357 3.38862 -212.15449 1218.88063
140.0000 -229.11090 -213.76920 15.34169 3.35784 -212.79972 1211.01306
145.0000 -228.35302 -215.04743 13.30558 3.30153 -213.98038 1177.64661
150.0000 -228.33802 -212.94308 15.39495 3.31550 -213.68745 1182.72591
155.0000 -224.23571 -211.15760 13.07812 3.36346 -212.68195 1199.37741
160.0000 -225.55837 -211.83691 13.72146 3.43259 -211.23262 1265.26945
165.0000 -228.24931 -215.85611 12.39320 3.36230 -212.70620 1226.89230
170.0000 -228.91831 -211.93334 16.98497 3.29978 -214.01712 1169.60113
175.0000 -228.39462 -213.48471 14.90991 3.32018 -213.58937 1212.08387
180.0000 -225.07728 -208.63209 16.44519 3.51157 -209.57672 1324.37241
185.0000 -225.65115 -211.59186 14.05929 3.46252 -210.60494 1236.09985
190.0000 -226.06931 -210.59541 15.47389 3.42130 -211.46935 1233.16331
195.0000 -229.56701 -212.01608 17.55093 3.45655 -210.73028 1275.87235
200.0000 -226.31992 -209.18573 17.13419 3.49340 -209.95764 1309.45621
205.0000 -224.97383 -209.46923 15.50460 3.53687 -209.04616 1329.66726
210.0000 -229.27942 -211.06929 18.21013 3.48205 -210.19566 1291.17583
215.0000 -229.16505 -212.53446 16.63059 3.42617 -211.36723 1243.82742
220.0000 -229.98105 -212.54862 17.43243 3.44106 -211.05493 1269.99940
225.0000 -227.74894 -213.08293 14.66601 3.29372 -214.14420 1202.36294
230.0000 -227.75349 -214.16720 13.58629 3.34816 -213.00276 1237.88687
235.0000 -227.86137 -211.80470 16.05667 3.34867 -212.99199 1180.74280
240.0000 -228.54319 -216.28894 12.25425 3.28428 -214.34211 1141.38561
245.0000 -226.75172 -210.44961 16.30211 3.39569 -212.00629 1191.33952
250.0000 -229.62543 -215.00732 14.61811 3.39756 -211.96706 1249.76131
FREEZING PROCESS: loop number 2 T-loop= 1171.0000000000000
main_MD> interactions number 2 at Temperature= 1171.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09147 0.88073 0.21536
force_rgl> df(natom) -2.38569 0.20800 0.96547
255.0000 -226.62367 -211.76204 14.86162 3.31127 -213.77623 1165.01960
260.0000 -227.75278 -213.22935 14.52343 3.34249 -213.12151 1181.27623
265.0000 -227.63835 -213.34078 14.29758 3.30581 -213.89055 1191.86284
270.0000 -231.16346 -217.52358 13.63988 3.30680 -213.86977 1211.57144
275.0000 -225.02475 -210.67424 14.35051 3.32440 -213.50090 1203.02236
280.0000 -226.08104 -211.38959 14.69145 3.52172 -209.36385 1303.06791
285.0000 -230.77386 -216.35525 14.41861 3.25768 -214.89966 1154.75401
290.0000 -229.94001 -213.55387 16.38613 3.21438 -215.80743 1136.08590
295.0000 -227.13982 -213.38207 13.75775 3.33501 -213.27845 1217.40381
300.0000 -227.40704 -214.65956 12.74748 3.32341 -213.52159 1175.67615
305.0000 -228.75353 -213.18233 15.57120 3.32892 -213.40618 1199.19613
310.0000 -226.89859 -212.88699 14.01160 3.28656 -214.29411 1156.58676
315.0000 -225.15027 -209.23751 15.91276 3.44026 -211.07172 1278.54755
320.0000 -226.57065 -210.82817 15.74248 3.40736 -211.76160 1240.94334
325.0000 -230.66467 -215.66118 15.00350 3.34334 -213.10374 1214.33434
330.0000 -231.31387 -217.43849 13.87537 3.21395 -215.81660 1154.22463
335.0000 -231.27064 -217.83926 13.43138 3.10706 -218.05755 1048.20860
340.0000 -228.88273 -216.01310 12.86963 3.12783 -217.62216 1071.38000
345.0000 -229.06823 -213.94872 15.11951 3.30899 -213.82403 1173.86898
350.0000 -228.69745 -213.64049 15.05696 3.31968 -213.59974 1174.83174
355.0000 -228.82316 -215.99099 12.83217 3.31759 -213.64358 1177.95701
360.0000 -230.96486 -216.66554 14.29932 3.21880 -215.71487 1109.11006
365.0000 -230.87815 -218.11223 12.76592 3.18943 -216.33060 1108.10575
370.0000 -230.52349 -213.87469 16.64880 3.21218 -215.85371 1180.93255
375.0000 -231.63875 -216.04414 15.59462 3.23706 -215.33211 1161.83198
380.0000 -231.24512 -216.85051 14.39461 3.13655 -217.43938 1091.21966
385.0000 -230.35028 -216.58383 13.76645 3.23596 -215.35507 1145.16560
390.0000 -228.57900 -215.36478 13.21423 3.24176 -215.23344 1163.52833
395.0000 -228.82952 -214.33544 14.49407 3.26793 -214.68476 1157.95929
400.0000 -227.81385 -213.77306 14.04080 3.34577 -213.05286 1226.56595
405.0000 -225.40158 -210.57317 14.82841 3.36682 -212.61158 1212.25279
410.0000 -224.50775 -209.97848 14.52927 3.50805 -209.65051 1332.20743
415.0000 -228.24400 -211.46255 16.78144 3.45721 -210.71635 1265.30986
420.0000 -227.58178 -211.11119 16.47059 3.37866 -212.36323 1244.19781
425.0000 -227.60530 -213.39959 14.20571 3.38660 -212.19683 1215.37975
430.0000 -228.16315 -217.25821 10.90494 3.17362 -216.66217 1105.18401
435.0000 -229.28867 -216.27741 13.01126 3.15024 -217.15237 1094.45130
440.0000 -228.78110 -217.09110 11.69000 3.15778 -216.99426 1095.30251
445.0000 -227.03962 -213.48032 13.55930 3.17140 -216.70868 1092.67445
450.0000 -225.95531 -211.09207 14.86325 3.29638 -214.08832 1173.62422
455.0000 -227.93106 -213.70363 14.22744 3.40083 -211.89839 1236.90430
460.0000 -226.12746 -210.59332 15.53415 3.38425 -212.24612 1270.75662
465.0000 -228.62801 -212.93343 15.69458 3.39528 -212.01476 1257.42110
470.0000 -229.41561 -214.15040 15.26520 3.31413 -213.71616 1203.98529
475.0000 -231.40110 -216.58203 14.81907 3.25434 -214.96980 1164.79175
480.0000 -231.90898 -217.47100 14.43797 3.14771 -217.20543 1080.80771
485.0000 -230.58955 -216.66200 13.92755 3.17989 -216.53060 1131.43453
490.0000 -229.53383 -216.51347 13.02036 3.21116 -215.87507 1140.07743
495.0000 -230.32399 -216.88412 13.43987 3.21426 -215.81012 1145.40204
500.0000 -226.64709 -214.02614 12.62095 3.25005 -215.05959 1148.17307
FREEZING PROCESS: loop number 3 T-loop= 1146.0000000000000
main_MD> interactions number 3 at Temperature= 1146.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.93089 1.23067 7.86157
force_rgl> df(natom) 1.13539 -1.41765 2.46605
505.0000 -231.11944 -217.54507 13.57437 3.22096 -215.66964 1137.68102
510.0000 -227.63349 -214.08835 13.54514 3.26981 -214.64539 1164.38765
515.0000 -230.21328 -215.55554 14.65774 3.30107 -213.99003 1181.35743
520.0000 -228.33421 -213.83214 14.50208 3.28597 -214.30663 1146.79322
525.0000 -226.79171 -212.27480 14.51691 3.29687 -214.07797 1158.36311
530.0000 -228.82926 -214.61357 14.21569 3.31703 -213.65528 1175.85679
535.0000 -228.47464 -216.64137 11.83327 3.22463 -215.59267 1132.87199
540.0000 -229.75925 -217.40431 12.35494 3.19249 -216.26654 1122.22681
545.0000 -230.93681 -218.19623 12.74058 3.13574 -217.45627 1099.34008
550.0000 -230.50981 -219.07971 11.43011 3.06409 -218.95844 1037.01541
555.0000 -231.74653 -217.85244 13.89409 3.13554 -217.46041 1077.42705
560.0000 -228.61395 -216.06812 12.54583 3.10904 -218.01607 1069.93668
565.0000 -230.63777 -215.49772 15.14005 3.22158 -215.65664 1132.80865
570.0000 -229.45878 -213.48454 15.97424 3.20923 -215.91544 1136.85218
575.0000 -228.44804 -214.84037 13.60767 3.30508 -213.90585 1181.98743
580.0000 -230.67959 -217.56611 13.11348 3.19089 -216.29992 1140.99927
585.0000 -228.10066 -214.07581 14.02485 3.21011 -215.89707 1128.04967
590.0000 -228.56249 -214.32697 14.23552 3.21508 -215.79289 1111.01077
595.0000 -229.81800 -215.41781 14.40019 3.25626 -214.92949 1170.78042
600.0000 -229.70384 -214.84433 14.85951 3.23858 -215.30008 1130.85970
605.0000 -230.52859 -216.50090 14.02769 3.21452 -215.80456 1118.96890
610.0000 -229.30919 -215.68595 13.62323 3.16897 -216.75958 1105.89168
615.0000 -231.47383 -217.58418 13.88966 3.18923 -216.33484 1114.18782
620.0000 -229.28862 -215.23288 14.05575 3.18935 -216.33234 1113.99405
625.0000 -228.68357 -212.31984 16.36373 3.33003 -213.38287 1238.85409
630.0000 -229.93566 -214.81803 15.11764 3.28703 -214.28442 1152.53292
635.0000 -229.30320 -215.24123 14.06197 3.26790 -214.68539 1175.38716
640.0000 -226.22151 -213.40123 12.82027 3.29548 -214.10726 1179.40494
645.0000 -231.14138 -216.18449 14.95689 3.26136 -214.82252 1170.30143
650.0000 -230.09809 -216.13087 13.96722 3.17682 -216.59495 1093.07374
655.0000 -228.34905 -214.59780 13.75125 3.31466 -213.70502 1187.18501
660.0000 -227.17530 -212.51706 14.65824 3.31557 -213.68608 1188.43246
665.0000 -232.77090 -218.64116 14.12974 3.21863 -215.71850 1161.47987
670.0000 -229.66445 -216.18968 13.47476 3.12803 -217.61801 1090.54622
675.0000 -230.53627 -214.45465 16.08162 3.22159 -215.65643 1156.39587
680.0000 -230.92808 -216.61603 14.31205 3.20356 -216.03441 1145.55145
685.0000 -229.24339 -216.22459 13.01880 3.21539 -215.78627 1135.92125
690.0000 -232.04177 -217.71812 14.32365 3.14627 -217.23551 1068.49827
695.0000 -230.37794 -215.57078 14.80716 3.18625 -216.39720 1106.58731
700.0000 -228.97159 -216.01343 12.95816 3.19828 -216.14501 1114.98398
705.0000 -229.18118 -216.10789 13.07329 3.20881 -215.92432 1126.35625
710.0000 -231.56891 -218.80501 12.76390 3.15113 -217.13362 1093.70227
715.0000 -231.67384 -218.86034 12.81351 3.08584 -218.50246 1062.95372
720.0000 -230.70780 -219.86021 10.84758 3.08197 -218.58354 1020.48414
725.0000 -232.46179 -218.60869 13.85310 3.03404 -219.58846 1014.48814
730.0000 -230.11730 -216.04814 14.06917 3.12773 -217.62419 1088.06694
735.0000 -229.86300 -215.31684 14.54616 3.27755 -214.48303 1184.95021
740.0000 -230.63978 -216.52845 14.11133 3.17933 -216.54238 1093.95935
745.0000 -232.93667 -217.98082 14.95585 3.12785 -217.62181 1100.56463
750.0000 -229.69652 -216.60523 13.09130 3.09584 -218.29293 1053.55290
FREEZING PROCESS: loop number 4 T-loop= 1121.0000000000000
main_MD> interactions number 4 at Temperature= 1121.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.39262 -1.82916 1.37495
force_rgl> df(natom) -2.02507 4.38677 -3.99661
755.0000 -231.01646 -216.46748 14.54899 3.15728 -217.00459 1079.90456
760.0000 -227.15751 -212.44700 14.71051 3.30513 -213.90487 1195.36800
765.0000 -230.49343 -216.48808 14.00535 3.27181 -214.60353 1175.12774
770.0000 -230.04544 -215.68206 14.36338 3.20208 -216.06534 1120.77814
775.0000 -228.90711 -215.48424 13.42287 3.19176 -216.28177 1099.21067
780.0000 -229.00481 -217.74503 11.25978 3.16174 -216.91111 1086.49465
785.0000 -230.00103 -215.83446 14.16656 3.18828 -216.35473 1104.84476
790.0000 -228.81371 -215.24090 13.57281 3.22565 -215.57129 1137.79447
795.0000 -230.59171 -218.66187 11.92984 3.21137 -215.87059 1144.41758
800.0000 -231.84084 -217.88362 13.95722 3.05655 -219.11665 1036.03710
805.0000 -228.60248 -212.18204 16.42045 3.22146 -215.65910 1149.83846
810.0000 -230.21327 -216.39353 13.81973 3.26075 -214.83544 1147.93007
815.0000 -230.25385 -217.76019 12.49366 3.20025 -216.10379 1110.69169
820.0000 -231.02874 -215.91550 15.11324 3.13132 -217.54901 1057.78658
825.0000 -231.49496 -216.37441 15.12055 3.20096 -216.08898 1130.30827
830.0000 -232.35942 -218.99593 13.36350 3.10208 -218.16199 1063.83277
835.0000 -228.47660 -215.50652 12.97008 3.17175 -216.70138 1082.60445
840.0000 -229.59371 -214.92754 14.66617 3.26944 -214.65322 1147.06360
845.0000 -231.78411 -215.89879 15.88532 3.22479 -215.58934 1126.37288
850.0000 -227.60534 -215.06302 12.54232 3.24803 -215.10197 1164.46514
855.0000 -231.42324 -217.90016 13.52308 3.14183 -217.32865 1079.42541
860.0000 -230.03346 -216.47867 13.55479 3.08076 -218.60901 1056.96657
865.0000 -231.50889 -216.59375 14.91514 3.18722 -216.37704 1101.92427
870.0000 -231.62135 -218.17488 13.44647 3.11000 -217.99597 1051.22157
875.0000 -229.61264 -214.24611 15.36653 3.16422 -216.85923 1112.71995
880.0000 -229.76317 -216.31191 13.45126 3.23388 -215.39878 1149.06574
885.0000 -231.01037 -216.63577 14.37460 3.26220 -214.80504 1137.60354
890.0000 -228.26386 -215.13648 13.12738 3.20805 -215.94026 1082.89689
895.0000 -229.10288 -214.99278 14.11011 3.25324 -214.99288 1152.23083
900.0000 -228.10032 -215.05694 13.04338 3.28096 -214.41152 1183.41180
905.0000 -228.88242 -212.94173 15.94069 3.29281 -214.16311 1155.10153
910.0000 -229.92978 -215.61190 14.31788 3.26783 -214.68686 1181.36852
915.0000 -229.39519 -214.86624 14.52895 3.25864 -214.87966 1174.84885
920.0000 -229.22342 -213.69904 15.52438 3.22904 -215.50025 1147.53757
925.0000 -228.83052 -215.11814 13.71238 3.31643 -213.66791 1205.76739
930.0000 -229.81905 -217.07616 12.74289 3.22955 -215.48953 1154.06419
935.0000 -232.78016 -218.14473 14.63543 3.14016 -217.36355 1088.14039
940.0000 -232.41422 -218.69688 13.71734 3.06264 -218.98893 1039.04748
945.0000 -230.65927 -216.29333 14.36595 3.09217 -218.36988 1046.82092
950.0000 -229.20351 -216.65468 12.54883 3.13621 -217.44637 1081.45921
955.0000 -229.72750 -217.67695 12.05055 3.19399 -216.23493 1121.69050
960.0000 -231.36137 -217.98540 13.37598 3.14854 -217.18800 1071.39306
965.0000 -229.26095 -217.04519 12.21577 3.07937 -218.63807 1009.37995
970.0000 -228.17110 -213.00127 15.16983 3.28273 -214.37446 1178.02726
975.0000 -228.55652 -214.37911 14.17740 3.33555 -213.26717 1198.08157
980.0000 -229.60952 -213.95919 15.65033 3.26994 -214.64268 1155.21527
985.0000 -226.66836 -214.87058 11.79779 3.23774 -215.31770 1142.26042
990.0000 -230.77485 -216.85905 13.91580 3.18645 -216.39306 1101.18989
995.0000 -227.82626 -214.67221 13.15405 3.21313 -215.83363 1134.14824
1000.0000 -229.45485 -216.82949 12.62536 3.23264 -215.42463 1134.35154
FREEZING PROCESS: loop number 5 T-loop= 1096.0000000000000
main_MD> interactions number 5 at Temperature= 1096.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19979 0.36591 4.04367
force_rgl> df(natom) 1.27719 0.67680 0.78328
1005.0000 -231.22913 -217.60610 13.62303 3.16818 -216.77625 1118.21810
1010.0000 -231.80185 -219.74154 12.06031 3.07913 -218.64322 1052.40358
1015.0000 -232.20343 -219.11592 13.08751 3.05432 -219.16343 1047.89923
1020.0000 -232.70965 -219.89623 12.81342 3.07316 -218.76831 1044.96698
1025.0000 -226.75373 -213.97396 12.77978 3.17441 -216.64560 1119.35020
1030.0000 -228.79358 -214.53608 14.25750 3.23924 -215.28641 1133.38976
1035.0000 -229.42538 -217.14652 12.27886 3.26424 -214.76220 1161.18577
1040.0000 -231.73545 -217.78521 13.95024 3.18240 -216.47809 1126.61990
1045.0000 -229.12744 -218.74897 10.37848 3.12488 -217.68407 1064.97000
1050.0000 -233.20716 -219.10873 14.09843 3.06925 -218.85030 1023.93040
1055.0000 -231.12038 -218.49136 12.62902 3.12290 -217.72559 1072.44409
1060.0000 -232.67500 -220.07222 12.60278 3.07049 -218.82436 1051.49213
1065.0000 -231.72524 -219.08250 12.64274 3.08452 -218.53007 1040.57098
1070.0000 -230.15220 -216.50123 13.65098 3.15455 -217.06190 1078.19892
1075.0000 -230.24955 -217.38765 12.86190 3.18571 -216.40870 1098.84490
1080.0000 -231.29940 -219.21257 12.08683 3.13498 -217.47213 1062.90549
1085.0000 -229.64993 -216.30063 13.34930 3.14770 -217.20544 1072.62990
1090.0000 -232.65151 -218.03332 14.61819 3.16760 -216.78834 1102.95915
1095.0000 -230.94935 -216.80379 14.14556 3.11255 -217.94239 1054.24189
1100.0000 -229.96646 -215.27935 14.68711 3.19464 -216.22130 1129.80275
1105.0000 -230.34081 -217.26978 13.07103 3.21939 -215.70243 1116.49961
1110.0000 -231.46852 -217.86406 13.60445 3.14582 -217.24488 1069.58729
1115.0000 -227.75908 -213.57414 14.18494 3.25204 -215.01804 1170.61243
1120.0000 -230.11517 -216.79414 13.32103 3.22279 -215.63124 1161.66960
1125.0000 -230.55261 -217.91156 12.64105 3.10926 -218.01148 1047.99116
1130.0000 -231.02469 -215.66669 15.35799 3.20667 -215.96914 1106.49282
1135.0000 -229.67567 -215.94642 13.72925 3.25855 -214.88141 1153.42753
1140.0000 -230.34336 -216.86151 13.48185 3.16862 -216.76696 1084.52132
1145.0000 -229.92805 -214.80753 15.12052 3.26160 -214.81756 1142.97232
1150.0000 -230.16744 -214.17840 15.98905 3.21775 -215.73688 1129.44630
1155.0000 -231.29173 -215.29685 15.99488 3.30645 -213.87716 1226.98939
1160.0000 -231.44673 -218.46013 12.98660 3.18109 -216.50544 1108.33009
1165.0000 -231.87133 -217.75690 14.11443 3.12150 -217.75475 1083.45221
1170.0000 -232.51897 -218.13981 14.37916 3.13169 -217.54116 1052.85571
1175.0000 -231.33140 -217.57488 13.75651 3.06344 -218.97206 1056.83162
1180.0000 -233.05119 -220.20217 12.84902 3.06640 -218.91006 1042.57363
1185.0000 -231.82406 -218.63472 13.18933 3.04626 -219.33239 1052.50061
1190.0000 -231.05921 -217.05284 14.00637 3.15062 -217.14429 1077.94017
1195.0000 -229.73916 -215.21833 14.52082 3.24073 -215.25499 1162.11556
1200.0000 -229.59512 -215.99240 13.60272 3.20933 -215.91348 1124.00179
1205.0000 -229.12674 -216.05664 13.07010 3.17376 -216.65920 1065.36395
1210.0000 -229.23705 -214.77429 14.46276 3.21365 -215.82284 1123.18995
1215.0000 -229.56779 -216.03907 13.52872 3.22540 -215.57646 1123.47122
1220.0000 -231.75755 -218.80865 12.94890 3.06955 -218.84393 997.62623
1225.0000 -232.90954 -217.38667 15.52287 3.19571 -216.19900 1097.72582
1230.0000 -229.20285 -215.90299 13.29986 3.17765 -216.57767 1094.49029
1235.0000 -230.18212 -215.80416 14.37796 3.22991 -215.48190 1129.35309
1240.0000 -230.54352 -217.48691 13.05661 3.18339 -216.45722 1099.17028
1245.0000 -230.27649 -214.73124 15.54525 3.23727 -215.32767 1171.75938
1250.0000 -231.98728 -217.69664 14.29064 3.28169 -214.39629 1151.36708
FREEZING PROCESS: loop number 6 T-loop= 1071.0000000000000
main_MD> interactions number 6 at Temperature= 1071.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.57807 1.40495 -1.69293
force_rgl> df(natom) -1.11506 -1.26929 -0.35004
1255.0000 -231.17514 -219.11596 12.05917 3.08888 -218.43876 1033.75155
1260.0000 -232.06096 -217.87921 14.18175 3.09987 -218.20838 1047.73519
1265.0000 -230.75725 -217.90135 12.85589 3.14952 -217.16741 1076.79692
1270.0000 -231.22311 -218.06076 13.16235 3.09930 -218.22039 1041.12120
1275.0000 -230.77442 -217.89401 12.88042 3.11234 -217.94696 1065.85876
1280.0000 -230.83943 -217.93552 12.90391 3.11432 -217.90538 1075.25521
1285.0000 -232.97134 -222.04359 10.92775 3.04540 -219.35043 1028.46906
1290.0000 -231.99020 -218.42882 13.56138 3.02143 -219.85291 1029.57108
1295.0000 -232.35550 -220.52404 11.83146 3.09250 -218.36281 1073.87238
1300.0000 -231.59776 -218.80749 12.79027 2.98327 -220.65291 977.81123
1305.0000 -231.80588 -218.07501 13.73087 3.08231 -218.57657 1051.89317
1310.0000 -233.19474 -220.00479 13.18995 3.03263 -219.61813 1019.86743
1315.0000 -233.99765 -221.77863 12.21902 2.95930 -221.15550 1000.46652
1320.0000 -232.26748 -221.80357 10.46391 2.93923 -221.57639 944.50957
1325.0000 -230.32979 -215.23712 15.09267 3.13012 -217.57404 1078.01638
1330.0000 -229.01787 -213.71585 15.30202 3.22248 -215.63768 1107.90499
1335.0000 -229.95205 -217.69805 12.25400 3.21811 -215.72923 1128.02030
1340.0000 -228.96818 -214.72673 14.24145 3.15120 -217.13220 1082.50075
1345.0000 -228.09327 -215.23363 12.85963 3.25832 -214.88626 1150.04130
1350.0000 -229.66534 -215.01544 14.64990 3.27163 -214.60728 1154.70321
1355.0000 -230.18162 -216.25600 13.92562 3.19439 -216.22655 1081.36600
1360.0000 -227.30902 -215.05001 12.25900 3.22023 -215.68482 1096.78080
1365.0000 -230.27341 -216.52078 13.75263 3.24244 -215.21913 1126.08145
1370.0000 -230.70584 -218.30793 12.39792 3.18817 -216.35702 1089.56018
1375.0000 -230.35055 -218.06861 12.28194 3.11751 -217.83859 1088.09552
1380.0000 -232.34449 -217.26721 15.07729 3.13108 -217.55406 1058.15569
1385.0000 -228.63867 -215.30257 13.33611 3.18297 -216.46609 1116.94210
1390.0000 -228.83163 -215.85512 12.97651 3.18871 -216.34568 1092.76528
1395.0000 -227.16599 -215.07527 12.09072 3.24488 -215.16816 1132.81536
1400.0000 -229.60499 -216.62360 12.98139 3.21779 -215.73595 1125.78052
1405.0000 -231.85270 -218.72701 13.12569 3.13306 -217.51257 1070.16407
1410.0000 -231.19541 -218.61281 12.58260 3.10398 -218.12224 1054.11223
1415.0000 -231.04772 -219.19620 11.85152 3.08225 -218.57784 1065.21511
1420.0000 -235.08398 -222.08875 12.99523 3.00270 -220.24559 1004.21090
1425.0000 -234.19749 -219.94888 14.24861 3.00867 -220.12036 1015.07408
1430.0000 -228.73469 -214.59157 14.14312 3.10215 -218.16044 1079.82798
1435.0000 -231.83791 -217.26435 14.57356 3.21790 -215.73370 1140.80052
1440.0000 -228.16517 -213.23012 14.93506 3.16722 -216.79622 1118.60724
1445.0000 -227.32917 -215.44771 11.88146 3.24283 -215.21096 1116.27739
1450.0000 -229.81905 -215.71429 14.10476 3.26997 -214.64203 1139.04280
1455.0000 -230.13903 -217.53880 12.60023 3.19063 -216.30548 1107.44410
1460.0000 -231.93106 -218.07655 13.85451 3.10751 -218.04821 1030.67270
1465.0000 -228.63294 -215.94714 12.68581 3.15294 -217.09557 1080.61512
1470.0000 -229.24304 -215.21822 14.02482 3.28342 -214.36002 1146.85919
1475.0000 -229.73917 -217.50600 12.23318 3.18026 -216.52295 1109.67597
1480.0000 -233.32886 -220.24432 13.08454 3.07410 -218.74859 1035.70907
1485.0000 -232.10362 -220.67351 11.43012 2.95231 -221.30210 979.00275
1490.0000 -231.99534 -217.14147 14.85387 3.10298 -218.14311 1090.32146
1495.0000 -229.18348 -213.55681 15.62667 3.23718 -215.32957 1126.64035
1500.0000 -229.79693 -217.13221 12.66473 3.21913 -215.70804 1156.08575
FREEZING PROCESS: loop number 7 T-loop= 1046.0000000000000
main_MD> interactions number 7 at Temperature= 1046.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29521 -2.15124 0.23043
force_rgl> df(natom) 1.91473 -0.47208 -0.61301
1505.0000 -230.23050 -217.97952 12.25098 3.12803 -217.61804 1092.47585
1510.0000 -231.75958 -217.19080 14.56878 3.14907 -217.17683 1101.52913
1515.0000 -229.61022 -216.92736 12.68286 3.19902 -216.12952 1117.98907
1520.0000 -233.81821 -221.12706 12.69115 3.07149 -218.80330 1045.83483
1525.0000 -231.91820 -221.95394 9.96425 2.94141 -221.53062 986.36996
1530.0000 -232.42111 -220.10505 12.31606 2.94845 -221.38299 968.26401
1535.0000 -231.78228 -217.15663 14.62564 3.03826 -219.50004 1070.78967
1540.0000 -230.29190 -216.21442 14.07748 3.17933 -216.54245 1107.37453
1545.0000 -231.20691 -219.33920 11.86771 3.08300 -218.56202 1051.19374
1550.0000 -232.26238 -221.60194 10.66044 3.02294 -219.82121 1007.82708
1555.0000 -230.91893 -215.91172 15.00722 3.08000 -218.62502 1047.59643
1560.0000 -230.99462 -217.14914 13.84548 3.13447 -217.48284 1084.08804
1565.0000 -229.14648 -217.76835 11.37813 3.15255 -217.10390 1079.44152
1570.0000 -230.27995 -216.05428 14.22568 3.13564 -217.45844 1078.86138
1575.0000 -229.80546 -218.49903 11.30642 3.11643 -217.86105 1070.95801
1580.0000 -233.85320 -220.05287 13.80033 3.02424 -219.79403 1011.64508
1585.0000 -232.70232 -219.63137 13.07095 3.07644 -218.69950 1042.24132
1590.0000 -234.25276 -221.43484 12.81793 2.97390 -220.84950 980.42713
1595.0000 -231.55907 -219.73408 11.82499 3.00387 -220.22103 998.07329
1600.0000 -232.24348 -219.44038 12.80309 3.03179 -219.63563 1016.78254
1605.0000 -231.19764 -219.06490 12.13274 3.06840 -218.86812 1021.50246
1610.0000 -230.22516 -214.83282 15.39234 3.14306 -217.30285 1097.20746
1615.0000 -230.02220 -216.55265 13.46955 3.26480 -214.75050 1169.75500
1620.0000 -227.05197 -214.27879 12.77318 3.22668 -215.54960 1131.29684
1625.0000 -230.32660 -216.21751 14.10909 3.27198 -214.59985 1167.59109
1630.0000 -230.66867 -217.87412 12.79456 3.18276 -216.47044 1131.87484
1635.0000 -230.47253 -218.58071 11.89182 3.05159 -219.22051 1036.46353
1640.0000 -230.39536 -217.49586 12.89950 3.03930 -219.47821 1027.48919
1645.0000 -233.33864 -218.92493 14.41371 3.15829 -216.98357 1106.53742
1650.0000 -232.45569 -219.00295 13.45274 3.05166 -219.21911 1007.78074
1655.0000 -234.27837 -221.14583 13.13254 2.98972 -220.51784 1013.99963
1660.0000 -232.78586 -218.80759 13.97827 2.98568 -220.60237 985.30559
1665.0000 -230.63585 -219.18081 11.45504 3.03883 -219.48818 1000.96809
1670.0000 -231.08796 -219.70912 11.37884 3.08444 -218.53175 1049.81708
1675.0000 -231.86643 -216.80157 15.06486 3.10268 -218.14934 1068.96708
1680.0000 -230.34341 -217.50588 12.83753 3.15168 -217.12205 1077.11695
1685.0000 -230.36247 -217.11667 13.24580 3.14656 -217.22936 1089.52312
1690.0000 -231.70803 -218.58713 13.12090 3.14570 -217.24742 1090.80184
1695.0000 -231.73683 -219.42708 12.30975 3.06947 -218.84561 1030.40972
1700.0000 -230.92803 -218.69515 12.23288 3.04239 -219.41336 1020.94595
1705.0000 -230.65951 -217.83181 12.82770 3.10481 -218.10486 1049.77227
1710.0000 -230.43581 -216.64547 13.79034 3.18777 -216.36536 1112.71630
1715.0000 -230.16234 -217.58824 12.57410 3.12294 -217.72460 1083.83620
1720.0000 -231.86896 -220.30971 11.55925 3.08017 -218.62131 1025.93545
1725.0000 -231.91536 -218.45720 13.45816 3.06341 -218.97280 1030.72539
1730.0000 -232.79350 -218.86174 13.93176 3.10964 -218.00343 1073.27987
1735.0000 -230.47909 -216.14265 14.33644 3.14943 -217.16924 1091.15784
1740.0000 -228.99942 -217.53204 11.46738 3.13819 -217.40502 1072.88079
1745.0000 -232.48873 -220.28335 12.20538 3.11196 -217.95494 1062.63987
1750.0000 -230.22798 -218.37911 11.84887 3.06735 -218.89011 1047.36026
FREEZING PROCESS: loop number 8 T-loop= 1021.0000000000000
main_MD> interactions number 8 at Temperature= 1021.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.83893 1.95809 1.17185
force_rgl> df(natom) -7.15324 0.30561 -6.37903
1755.0000 -229.71981 -217.17330 12.54652 3.11974 -217.79177 1072.62499
1760.0000 -232.28440 -220.81361 11.47079 3.09148 -218.38433 1017.56809
1765.0000 -234.23491 -222.11840 12.11651 2.98107 -220.69912 1000.07031
1770.0000 -233.73261 -220.05973 13.67287 2.93566 -221.65106 969.02887
1775.0000 -232.05517 -220.35035 11.70482 3.01950 -219.89342 1005.77100
1780.0000 -229.97184 -217.57609 12.39575 3.10917 -218.01327 1059.18910
1785.0000 -232.97279 -220.88282 12.08996 3.01486 -219.99071 1006.46744
1790.0000 -233.66508 -219.36304 14.30204 3.03869 -219.49096 1029.26766
1795.0000 -230.46806 -219.15477 11.31330 3.05866 -219.07229 1028.03557
1800.0000 -234.23309 -220.89711 13.33599 3.01903 -219.90328 1029.28930
1805.0000 -231.31383 -218.99791 12.31592 2.95491 -221.24754 969.45115
1810.0000 -230.28169 -218.59460 11.68710 3.08665 -218.48544 1063.42951
1815.0000 -229.91797 -217.10917 12.80880 3.08193 -218.58451 1034.43333
1820.0000 -230.04519 -218.28821 11.75698 3.11431 -217.90565 1058.11826
1825.0000 -232.08735 -219.92925 12.15810 3.08433 -218.53413 1026.00632
1830.0000 -230.73473 -219.84884 10.88588 3.01220 -220.04649 997.69036
1835.0000 -233.32295 -222.58221 10.74074 2.97199 -220.88953 934.48537
1840.0000 -231.37328 -219.23179 12.14148 3.05787 -219.08892 1015.77758
1845.0000 -233.41414 -220.37337 13.04076 2.97915 -220.73944 993.79123
1850.0000 -233.71524 -221.74680 11.96844 2.97772 -220.76937 984.03353
1855.0000 -231.42996 -219.63885 11.79111 2.98508 -220.61500 991.54797
1860.0000 -230.06526 -217.08288 12.98238 3.08099 -218.60420 1054.87542
1865.0000 -230.41539 -216.79677 13.61862 3.15076 -217.14129 1102.70789
1870.0000 -234.41539 -222.62134 11.79405 3.06241 -218.99364 1057.10071
1875.0000 -229.93839 -218.53165 11.40674 2.96399 -221.05713 984.55171
1880.0000 -233.77129 -222.15816 11.61314 2.98126 -220.69507 965.81237
1885.0000 -234.64279 -220.83216 13.81063 2.94360 -221.48458 965.60574
1890.0000 -231.08140 -218.83051 12.25089 3.04563 -219.34559 1011.08320
1895.0000 -229.75437 -218.30894 11.44543 3.08923 -218.43133 1019.45963
1900.0000 -233.49798 -220.05144 13.44654 3.07285 -218.77477 1028.77194
1905.0000 -231.87001 -220.64688 11.22313 2.96989 -220.93354 955.24426
1910.0000 -231.75866 -220.81324 10.94542 3.02229 -219.83491 1028.16883
1915.0000 -233.67701 -219.28110 14.39591 3.01166 -220.05765 998.59320
1920.0000 -233.72098 -221.09748 12.62350 3.02855 -219.70364 992.87819
1925.0000 -232.62881 -218.64764 13.98117 3.03831 -219.49902 1022.25073
1930.0000 -231.97409 -220.87247 11.10162 3.05229 -219.20581 1014.13519
1935.0000 -232.34099 -219.37845 12.96253 2.97586 -220.80840 979.09824
1940.0000 -232.38327 -221.02174 11.36153 3.01391 -220.01057 1023.52488
1945.0000 -231.00530 -218.08649 12.91881 3.03325 -219.60518 1025.99344
1950.0000 -231.94900 -218.71247 13.23653 3.07117 -218.81015 1053.17823
1955.0000 -231.12720 -218.05252 13.07469 3.10682 -218.06267 1056.14213
1960.0000 -233.37217 -220.05872 13.31345 3.10162 -218.17170 1064.79695
1965.0000 -232.93350 -221.03016 11.90334 2.99348 -220.43885 975.74624
1970.0000 -233.25828 -218.85397 14.40431 2.99584 -220.38952 1006.68160
1975.0000 -230.81087 -217.51979 13.29108 3.10617 -218.07624 1067.57135
1980.0000 -231.90076 -218.31969 13.58107 3.12503 -217.68086 1058.45332
1985.0000 -231.73560 -218.34874 13.38686 3.08981 -218.41923 1050.54123
1990.0000 -232.13150 -217.04300 15.08850 3.05515 -219.14602 1040.45667
1995.0000 -231.60771 -219.23359 12.37412 3.10553 -218.08960 1077.32401
2000.0000 -230.63705 -218.17545 12.46161 3.10278 -218.14737 1041.37613
FREEZING PROCESS: loop number 9 T-loop= 996.00000000000000
main_MD> interactions number 9 at Temperature= 996.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88560 -3.99631 -2.05605
force_rgl> df(natom) -2.91761 0.19170 -0.64378
2005.0000 -231.56223 -218.64027 12.92196 3.14943 -217.16917 1079.09766
2010.0000 -233.82238 -221.09781 12.72458 3.03428 -219.58341 1017.42499
2015.0000 -232.02589 -218.92157 13.10432 2.97850 -220.75307 994.36809
2020.0000 -229.73590 -216.46171 13.27420 3.13201 -217.53441 1082.64233
2025.0000 -231.51045 -217.83820 13.67225 3.12786 -217.62147 1076.36901
2030.0000 -229.43651 -217.23116 12.20535 3.08079 -218.60832 1062.63071
2035.0000 -230.59675 -219.10523 11.49151 3.10346 -218.13300 1088.37723
2040.0000 -233.10648 -219.80158 13.30490 3.03551 -219.55772 1018.32819
2045.0000 -232.40101 -217.77308 14.62793 3.01011 -220.09034 988.63023
2050.0000 -229.95083 -217.41947 12.53136 3.12579 -217.66490 1069.17563
2055.0000 -231.25066 -218.45905 12.79161 3.07799 -218.66705 1055.72677
2060.0000 -232.72617 -221.30309 11.42308 3.02438 -219.79115 1008.23768
2065.0000 -233.18279 -221.29040 11.89239 2.94470 -221.46172 949.19853
2070.0000 -231.35717 -219.73639 11.62078 2.98838 -220.54587 988.09043
2075.0000 -232.65090 -221.40278 11.24811 3.00303 -220.23862 992.28562
2080.0000 -233.16098 -221.28779 11.87319 2.95952 -221.15084 972.15811
2085.0000 -234.93090 -222.51577 12.41513 2.89362 -222.53266 924.76869
2090.0000 -233.55557 -220.83753 12.71804 2.94056 -221.54840 965.55877
2095.0000 -233.72595 -221.26194 12.46401 2.91978 -221.98402 940.40077
2100.0000 -231.13884 -220.48110 10.65774 2.95006 -221.34916 968.12131
2105.0000 -231.62608 -219.39147 12.23461 2.98647 -220.58586 974.15700
2110.0000 -232.41921 -219.65680 12.76241 3.02632 -219.75040 1007.63480
2115.0000 -231.85782 -219.70406 12.15377 3.03740 -219.51808 980.57640
2120.0000 -232.84974 -221.25406 11.59568 2.97139 -220.90199 973.72250
2125.0000 -232.16075 -220.51762 11.64313 2.97837 -220.75562 965.80185
2130.0000 -232.49797 -221.34777 11.15020 3.03447 -219.57961 1025.59821
2135.0000 -231.87968 -218.75629 13.12339 2.97821 -220.75908 980.78365
2140.0000 -232.17516 -219.71921 12.45595 3.02234 -219.83383 1031.39791
2145.0000 -231.23783 -217.57169 13.66614 3.15344 -217.08519 1105.62286
2150.0000 -233.73018 -220.57486 13.15532 3.08573 -218.50473 1062.25020
2155.0000 -233.51978 -219.53978 13.98000 2.99520 -220.40283 979.97531
2160.0000 -234.52429 -222.15673 12.36756 2.98359 -220.64629 986.61279
2165.0000 -234.74309 -222.26174 12.48135 2.92773 -221.81750 978.98259
2170.0000 -233.15936 -221.69425 11.46511 2.94323 -221.49235 940.89102
2175.0000 -231.25452 -220.15733 11.09719 2.98211 -220.67733 992.43961
2180.0000 -231.70685 -218.78859 12.91826 3.02251 -219.83035 1035.16675
2185.0000 -233.53023 -220.22200 13.30823 3.06738 -218.88947 1054.33638
2190.0000 -231.66672 -219.01988 12.64684 3.01088 -220.07412 979.66869
2195.0000 -232.56163 -221.22257 11.33907 3.01174 -220.05601 978.87241
2200.0000 -233.00452 -221.79135 11.21316 2.94031 -221.55376 943.64336
2205.0000 -232.11358 -218.94972 13.16386 3.02214 -219.83799 1001.21799
2210.0000 -231.16805 -216.85529 14.31277 3.10820 -218.03370 1042.20036
2215.0000 -230.80010 -217.24093 13.55917 3.13012 -217.57419 1096.75366
2220.0000 -229.60034 -217.52335 12.07698 3.12336 -217.71588 1061.89029
2225.0000 -233.45115 -221.17293 12.27822 3.03750 -219.51595 1011.78097
2230.0000 -232.13537 -219.48141 12.65396 2.93893 -221.58265 948.44917
2235.0000 -233.21636 -219.76500 13.45136 3.05187 -219.21471 1039.73550
2240.0000 -235.31903 -224.57192 10.74711 2.94652 -221.42349 997.69505
2245.0000 -234.30237 -226.17692 8.12546 2.70075 -226.57621 817.22852
2250.0000 -233.65271 -221.94523 11.70748 2.85866 -223.26557 917.89763
FREEZING PROCESS: loop number 10 T-loop= 971.00000000000000
main_MD> interactions number 10 at Temperature= 971.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.77172 -1.29497 -1.20135
force_rgl> df(natom) -1.67801 2.15377 3.80562
2255.0000 -234.48907 -222.39507 12.09401 2.87362 -222.95195 904.06834
2260.0000 -232.27460 -221.19600 11.07860 2.94258 -221.50617 975.96221
2265.0000 -233.13804 -219.74849 13.38955 2.97305 -220.86723 987.03682
2270.0000 -231.69221 -219.33890 12.35331 3.05883 -219.06885 1026.82659
2275.0000 -232.98754 -219.75006 13.23748 2.99925 -220.31788 984.41569
2280.0000 -233.88679 -219.55290 14.33389 2.99976 -220.30724 1004.06754
2285.0000 -231.47373 -218.55395 12.91977 3.04062 -219.45055 1013.20424
2290.0000 -232.80035 -220.50288 12.29747 3.08856 -218.44554 1073.91606
2295.0000 -231.87296 -220.33475 11.53821 2.99249 -220.45974 971.51064
2300.0000 -233.85537 -220.34382 13.51155 2.94367 -221.48329 944.29663
2305.0000 -233.93008 -221.30113 12.62894 2.97734 -220.77735 964.52169
2310.0000 -233.87753 -222.41856 11.45897 2.88728 -222.66552 915.90330
2315.0000 -233.10814 -220.65165 12.45650 2.96348 -221.06778 965.44593
2320.0000 -233.85387 -221.47917 12.37470 2.99630 -220.37985 978.21000
2325.0000 -234.95788 -220.86647 14.09141 2.99947 -220.31337 999.83721
2330.0000 -233.32251 -219.75958 13.56293 3.04829 -219.28978 1026.71559
2335.0000 -231.69429 -218.30140 13.39290 3.05003 -219.25335 1002.58677
2340.0000 -230.81710 -218.79176 12.02534 3.08495 -218.52126 1037.28658
2345.0000 -231.42671 -218.86727 12.55944 3.06868 -218.86232 1024.66010
2350.0000 -234.76878 -222.63085 12.13793 3.01089 -220.07384 982.40685
2355.0000 -233.44121 -221.42554 12.01567 2.94648 -221.42435 968.85705
2360.0000 -231.08542 -220.42034 10.66508 2.97724 -220.77931 973.42434
2365.0000 -235.45256 -223.82970 11.62285 2.97426 -220.84178 994.81970
2370.0000 -231.05123 -219.65528 11.39594 2.91002 -222.18868 939.06736
2375.0000 -231.63438 -218.75886 12.87552 3.10815 -218.03473 1056.29925
2380.0000 -231.48318 -217.37591 14.10727 3.09356 -218.34070 1054.19661
2385.0000 -234.10481 -221.42046 12.68435 3.00375 -220.22360 993.24042
2390.0000 -231.12954 -218.86954 12.26000 3.02489 -219.78037 998.44830
2395.0000 -233.36168 -219.59348 13.76820 3.01880 -219.90814 1006.70767
2400.0000 -231.76703 -219.89605 11.87098 2.97128 -220.90433 962.61547
2405.0000 -230.85756 -217.01009 13.84747 3.07124 -218.80861 1031.10071
2410.0000 -232.26409 -218.97990 13.28419 3.14682 -217.22396 1094.85019
2415.0000 -233.37154 -222.75843 10.61311 2.96716 -220.99064 960.59024
2420.0000 -232.76205 -220.66818 12.09387 2.98439 -220.62956 998.32979
2425.0000 -235.52738 -222.57070 12.95668 2.97751 -220.77365 979.18247
2430.0000 -233.07736 -221.06866 12.00869 2.93921 -221.57672 954.99445
2435.0000 -233.59928 -220.67013 12.92915 2.96338 -221.06995 977.34358
2440.0000 -234.40116 -221.82799 12.57317 2.97144 -220.90094 985.35449
2445.0000 -232.41652 -221.82776 10.58876 2.92379 -221.90012 945.74523
2450.0000 -232.53828 -221.04830 11.48998 2.92876 -221.79589 940.36268
2455.0000 -232.47083 -219.54629 12.92453 2.97341 -220.85977 977.52728
2460.0000 -233.92974 -222.03294 11.89680 2.99003 -220.51116 997.26834
2465.0000 -233.87059 -222.24651 11.62409 3.00071 -220.28731 1020.57071
2470.0000 -235.31846 -221.88564 13.43282 2.89801 -222.44061 926.10321
2475.0000 -235.12332 -223.93870 11.18463 2.87649 -222.89172 927.04945
2480.0000 -233.49677 -222.04307 11.45370 2.92365 -221.90286 948.05745
2485.0000 -232.71449 -219.40496 13.30954 3.01339 -220.02150 1012.89691
2490.0000 -232.76743 -219.39886 13.36857 3.04561 -219.34605 997.94715
2495.0000 -232.05819 -219.81912 12.23907 3.01768 -219.93153 1021.23020
2500.0000 -233.04902 -221.73548 11.31354 3.00414 -220.21537 993.41972
FREEZING PROCESS: loop number 11 T-loop= 946.00000000000000
main_MD> interactions number 11 at Temperature= 946.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26514 -0.83196 -2.32413
force_rgl> df(natom) 2.04053 -0.35577 0.42104
2505.0000 -233.76233 -223.56715 10.19518 2.86334 -223.16746 930.57892
2510.0000 -231.84725 -219.43469 12.41256 2.91414 -222.10225 933.93196
2515.0000 -234.99881 -223.40126 11.59756 2.95092 -221.33116 957.77861
2520.0000 -233.03990 -222.08893 10.95097 2.90689 -222.25442 898.27508
2525.0000 -233.70845 -221.44116 12.26729 2.92371 -221.90167 952.59544
2530.0000 -233.40174 -219.98192 13.41982 2.95307 -221.28609 973.71364
2535.0000 -233.01458 -221.85946 11.15512 2.91558 -222.07209 954.91336
2540.0000 -233.73261 -221.34506 12.38755 2.94179 -221.52263 968.85531
2545.0000 -231.93421 -220.30912 11.62509 2.93924 -221.57600 992.16623
2550.0000 -234.55159 -222.03365 12.51795 2.93920 -221.57695 984.27140
2555.0000 -235.40491 -221.63563 13.76929 2.90409 -222.31296 962.46030
2560.0000 -234.64339 -224.14380 10.49960 2.89735 -222.45446 934.66317
2565.0000 -234.93698 -222.98432 11.95266 2.86939 -223.04056 926.67328
2570.0000 -231.73999 -220.31326 11.42674 2.95865 -221.16915 975.59405
2575.0000 -234.52875 -222.86459 11.66416 2.95983 -221.14447 968.91900
2580.0000 -235.60305 -224.69335 10.90969 2.82065 -224.06236 894.45083
2585.0000 -234.85968 -223.84115 11.01853 2.82214 -224.03116 914.55088
2590.0000 -236.10168 -224.54581 11.55587 2.83743 -223.71071 911.92931
2595.0000 -236.11968 -224.45125 11.66843 2.82077 -224.05996 908.39640
2600.0000 -235.08303 -223.99941 11.08363 2.83678 -223.72430 895.62676
2605.0000 -235.14998 -223.11632 12.03366 2.81285 -224.22593 891.86649
2610.0000 -233.47311 -223.86925 9.60385 2.87109 -223.00490 940.00186
2615.0000 -232.80475 -221.05146 11.75328 2.87802 -222.85970 906.72965
2620.0000 -233.36702 -222.27104 11.09598 2.93278 -221.71145 956.62354
2625.0000 -234.33906 -224.18232 10.15673 2.86470 -223.13884 922.95027
2630.0000 -230.57365 -218.95504 11.61862 2.91943 -221.99153 921.57528
2635.0000 -231.27771 -220.56524 10.71248 2.97565 -220.81274 969.22985
2640.0000 -232.45820 -221.47912 10.97908 2.93840 -221.59374 963.80030
2645.0000 -232.41152 -220.60849 11.80303 2.90027 -222.39309 960.43107
2650.0000 -233.48438 -221.22897 12.25541 2.94193 -221.51975 980.51952
2655.0000 -232.47774 -221.61694 10.86080 2.95185 -221.31182 987.83733
2660.0000 -235.34072 -223.41494 11.92578 2.91867 -222.00739 931.31343
2665.0000 -235.69259 -225.67868 10.01390 2.78817 -224.74332 880.05518
2670.0000 -234.36095 -224.12915 10.23179 2.75126 -225.51721 855.24181
2675.0000 -235.07632 -221.57121 13.50511 2.87709 -222.87905 914.83769
2680.0000 -234.54977 -222.66873 11.88104 2.89941 -222.41125 927.48472
2685.0000 -232.39585 -223.42275 8.97310 2.85906 -223.25710 914.26348
2690.0000 -232.89668 -220.58141 12.31527 2.91021 -222.18473 950.07705
2695.0000 -233.76362 -220.33897 13.42465 2.98377 -220.64255 993.77211
2700.0000 -235.04692 -224.36705 10.67987 2.91905 -221.99947 952.39897
2705.0000 -236.40070 -225.51666 10.88404 2.80440 -224.40310 878.35685
2710.0000 -234.72828 -225.02772 9.70056 2.79081 -224.68807 870.31902
2715.0000 -236.48241 -223.46556 13.01685 2.81309 -224.22090 894.58953
2720.0000 -234.19041 -222.12097 12.06944 2.88612 -222.68973 936.80534
2725.0000 -232.91245 -220.81035 12.10210 2.91259 -222.13485 932.88771
2730.0000 -235.30027 -223.91248 11.38779 2.92235 -221.93028 955.88368
2735.0000 -234.86512 -223.13860 11.72653 2.83748 -223.70963 915.82220
2740.0000 -235.40300 -223.88053 11.52248 2.82057 -224.06404 877.83605
2745.0000 -233.78808 -220.03889 13.74919 2.93467 -221.67182 968.01553
2750.0000 -234.04558 -221.99882 12.04676 2.93461 -221.67311 968.15727
FREEZING PROCESS: loop number 12 T-loop= 921.00000000000000
main_MD> interactions number 12 at Temperature= 921.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18230 -0.19017 0.35201
force_rgl> df(natom) 4.51736 0.42416 2.21512
2755.0000 -234.52516 -224.31132 10.21384 2.89964 -222.40627 943.08073
2760.0000 -235.65540 -224.18130 11.47410 2.81112 -224.26222 863.75880
2765.0000 -232.76938 -222.69467 10.07471 2.86821 -223.06521 911.67062
2770.0000 -231.97819 -220.64583 11.33237 2.91671 -222.04851 934.95773
2775.0000 -231.35382 -219.88072 11.47310 2.94414 -221.47329 950.92859
2780.0000 -234.84993 -223.05495 11.79499 2.92020 -221.97522 933.13264
2785.0000 -233.82249 -222.33369 11.48880 2.88251 -222.76549 933.57202
2790.0000 -233.74108 -221.11772 12.62336 2.91412 -222.10266 937.92866
2795.0000 -232.42358 -220.99658 11.42701 2.94520 -221.45113 969.28651
2800.0000 -233.39606 -220.97461 12.42145 2.94673 -221.41912 954.31512
2805.0000 -235.24359 -223.98163 11.26196 2.84728 -223.50421 893.31868
2810.0000 -235.73436 -225.89618 9.83818 2.77207 -225.08092 843.34447
2815.0000 -233.78425 -223.87731 9.90694 2.82674 -223.93471 883.67496
2820.0000 -234.05403 -224.76695 9.28708 2.87075 -223.01198 899.85171
2825.0000 -235.50402 -224.98835 10.51567 2.85125 -223.42084 912.26980
2830.0000 -235.12600 -224.68468 10.44132 2.83961 -223.66485 898.46272
2835.0000 -234.13929 -224.02949 10.10980 2.77491 -225.02149 876.13786
2840.0000 -232.90749 -221.59445 11.31304 2.89470 -222.50989 932.55854
2845.0000 -233.22118 -221.32483 11.89636 2.92215 -221.93433 941.60745
2850.0000 -233.51820 -220.12235 13.39585 2.95319 -221.28362 952.43169
2855.0000 -233.71139 -223.59159 10.11980 2.90170 -222.36313 933.28397
2860.0000 -236.54722 -224.22243 12.32479 2.84112 -223.63336 898.62740
2865.0000 -236.84293 -226.12816 10.71478 2.74746 -225.59697 837.26612
2870.0000 -235.83657 -223.44786 12.38871 2.77494 -225.02082 865.28039
2875.0000 -233.63268 -222.92801 10.70467 2.83365 -223.78998 913.75730
2880.0000 -236.09654 -223.69326 12.40328 2.92782 -221.81561 964.22387
2885.0000 -233.82381 -221.16669 12.65712 2.90638 -222.26510 948.92492
2890.0000 -235.53911 -224.64549 10.89363 2.87517 -222.91929 909.11275
2895.0000 -235.79185 -223.64706 12.14479 2.85321 -223.37973 882.61609
2900.0000 -234.23206 -222.92362 11.30844 2.90635 -222.26567 923.83393
2905.0000 -232.07877 -219.33419 12.74458 2.95959 -221.14946 963.03130
2910.0000 -234.28146 -222.74935 11.53211 2.94776 -221.39752 949.09446
2915.0000 -235.06891 -223.49278 11.57613 2.86475 -223.13776 924.21286
2920.0000 -234.79548 -224.44967 10.34581 2.84008 -223.65511 896.89341
2925.0000 -234.25344 -222.34422 11.90921 2.84119 -223.63178 872.74170
2930.0000 -235.28137 -224.94022 10.34115 2.87379 -222.94841 928.56794
2935.0000 -236.47736 -226.50039 9.97696 2.73576 -225.84228 845.85920
2940.0000 -236.38900 -223.51601 12.87299 2.78479 -224.81422 872.11924
2945.0000 -234.81600 -224.15616 10.65984 2.82086 -224.05812 913.13735
2950.0000 -233.20321 -222.74934 10.45388 2.81917 -224.09356 898.79332
2955.0000 -233.18621 -220.06027 13.12593 2.92983 -221.77331 963.57722
2960.0000 -233.51922 -220.97804 12.54118 2.96864 -220.95975 972.53190
2965.0000 -235.59468 -223.44210 12.15258 2.95120 -221.32537 961.95247
2970.0000 -233.24220 -221.19414 12.04806 2.86417 -223.15008 915.16101
2975.0000 -234.70448 -223.31505 11.38943 2.92886 -221.79379 946.45476
2980.0000 -232.50005 -220.96000 11.54006 2.94062 -221.54716 968.72059
2985.0000 -232.56011 -221.53377 11.02634 2.94637 -221.42667 974.46652
2990.0000 -233.60434 -222.08395 11.52039 2.92359 -221.90411 931.34155
2995.0000 -232.58820 -220.82064 11.76756 2.93440 -221.67749 937.67822
3000.0000 -231.52943 -218.97045 12.55897 3.00053 -220.29114 1009.05066
FREEZING PROCESS: loop number 13 T-loop= 896.00000000000000
main_MD> interactions number 13 at Temperature= 896.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91392 1.83024 -0.91860
force_rgl> df(natom) 0.72008 -1.60450 2.22623
3005.0000 -230.31594 -219.34183 10.97411 3.03251 -219.62063 1032.03553
3010.0000 -234.63582 -223.37937 11.25645 2.92116 -221.95515 915.20779
3015.0000 -236.18487 -225.17108 11.01380 2.74053 -225.74234 861.26796
3020.0000 -234.71297 -222.97391 11.73906 2.81449 -224.19154 897.04451
3025.0000 -236.47014 -225.67435 10.79579 2.80017 -224.49182 872.78315
3030.0000 -233.79724 -224.25457 9.54267 2.75820 -225.37178 839.19666
3035.0000 -236.34652 -224.77078 11.57574 2.79487 -224.60288 872.62295
3040.0000 -234.68039 -224.06572 10.61467 2.77796 -224.95754 865.64816
3045.0000 -234.71544 -225.15466 9.56079 2.82510 -223.96915 902.76190
3050.0000 -233.35843 -222.65749 10.70094 2.75054 -225.53232 865.55353
3055.0000 -235.06992 -223.89339 11.17652 2.83576 -223.74565 910.81736
3060.0000 -235.95458 -224.48776 11.46682 2.77836 -224.94901 834.22256
3065.0000 -233.85609 -223.93172 9.92437 2.82535 -223.96381 866.45264
3070.0000 -234.97763 -224.17000 10.80763 2.81365 -224.20926 874.07819
3075.0000 -237.10865 -225.70164 11.40701 2.77536 -225.01195 859.78617
3080.0000 -234.50509 -222.19021 12.31488 2.84834 -223.48190 906.89493
3085.0000 -233.41324 -221.40394 12.00930 2.90248 -222.34672 943.50068
3090.0000 -232.05208 -222.06272 9.98937 2.96577 -221.01989 962.03470
3095.0000 -234.22676 -222.74525 11.48151 2.90755 -222.24048 968.04967
3100.0000 -233.89055 -221.75907 12.13149 2.91086 -222.17107 973.92137
3105.0000 -234.43048 -223.53648 10.89400 2.82015 -224.07293 896.09939
3110.0000 -235.31715 -222.26461 13.05254 2.89402 -222.52408 947.56423
3115.0000 -233.34953 -222.48593 10.86360 2.88105 -222.79613 935.31833
3120.0000 -234.32039 -223.68042 10.63997 2.88613 -222.68965 921.49971
3125.0000 -235.52025 -224.62632 10.89392 2.81473 -224.18665 913.78662
3130.0000 -234.13927 -221.67508 12.46419 2.84821 -223.48457 897.60253
3135.0000 -234.94558 -223.70561 11.23998 2.87109 -223.00483 896.23517
3140.0000 -234.78188 -223.54551 11.23636 2.87768 -222.86675 927.96855
3145.0000 -234.59000 -222.20546 12.38454 2.88285 -222.75834 916.94792
3150.0000 -235.50447 -223.59826 11.90621 2.82554 -223.96000 884.85608
3155.0000 -235.43523 -224.20802 11.22721 2.78736 -224.76041 881.18641
3160.0000 -234.44795 -223.58558 10.86238 2.83854 -223.68747 922.37145
3165.0000 -235.67823 -225.17336 10.50487 2.80246 -224.44372 890.55510
3170.0000 -233.57477 -222.05124 11.52352 2.75556 -225.42719 853.99489
3175.0000 -236.30262 -225.14237 11.16025 2.84430 -223.56661 896.26632
3180.0000 -234.56532 -225.47602 9.08930 2.78263 -224.85962 858.84816
3185.0000 -236.09587 -223.61452 12.48135 2.79744 -224.54905 910.00070
3190.0000 -238.03825 -225.91769 12.12056 2.80115 -224.47120 867.07238
3195.0000 -233.70985 -223.19200 10.51785 2.81861 -224.10514 896.56749
3200.0000 -236.21206 -225.76683 10.44523 2.78861 -224.73429 845.14817
3205.0000 -235.16462 -223.50808 11.65653 2.78338 -224.84383 853.29159
3210.0000 -236.50482 -224.91870 11.58612 2.86469 -223.13904 942.16519
3215.0000 -232.94072 -221.48487 11.45584 2.83337 -223.79569 913.63660
3220.0000 -233.62756 -222.78554 10.84202 2.88967 -222.61543 934.11555
3225.0000 -235.10620 -223.76859 11.33761 2.81479 -224.18530 873.10542
3230.0000 -235.92391 -226.14220 9.78171 2.82241 -224.02560 899.08930
3235.0000 -235.37534 -225.86807 9.50727 2.74174 -225.71687 860.54131
3240.0000 -236.60887 -224.54146 12.06741 2.78391 -224.83281 868.94271
3245.0000 -235.43821 -223.95652 11.48169 2.85305 -223.38308 904.24099
3250.0000 -234.70171 -223.18169 11.52002 2.87253 -222.97469 937.51582
FREEZING PROCESS: loop number 14 T-loop= 871.00000000000000
main_MD> interactions number 14 at Temperature= 871.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43368 -0.00994 1.62117
force_rgl> df(natom) 1.97850 0.31891 -1.22837
3255.0000 -236.17504 -225.44796 10.72708 2.79002 -224.70459 855.56614
3260.0000 -233.12802 -222.20284 10.92518 2.84240 -223.60640 908.18551
3265.0000 -235.85447 -225.31744 10.53703 2.86215 -223.19229 908.83399
3270.0000 -233.96946 -224.39563 9.57383 2.75577 -225.42275 838.56537
3275.0000 -234.09634 -222.69575 11.40060 2.84620 -223.52683 913.07319
3280.0000 -232.88595 -221.80607 11.07987 2.89101 -222.58724 910.17095
3285.0000 -235.84993 -224.83669 11.01323 2.83604 -223.73973 915.49903
3290.0000 -235.75437 -225.06539 10.68898 2.80132 -224.46778 894.45045
3295.0000 -235.35795 -224.86942 10.48853 2.77856 -224.94497 862.48363
3300.0000 -236.30315 -224.73137 11.57179 2.80465 -224.39790 884.12483
3305.0000 -236.58202 -225.93494 10.64708 2.76373 -225.25581 852.47285
3310.0000 -237.22072 -226.74459 10.47613 2.70694 -226.44647 827.76957
3315.0000 -236.92998 -226.14842 10.78156 2.72862 -225.99196 831.10217
3320.0000 -236.19104 -226.07327 10.11777 2.75506 -225.43767 840.31487
3325.0000 -235.79786 -225.55568 10.24218 2.71474 -226.28301 828.38993
3330.0000 -235.93838 -225.77087 10.16752 2.71661 -226.24383 834.96942
3335.0000 -235.90569 -224.15166 11.75403 2.75590 -225.41998 853.23221
3340.0000 -237.20335 -225.84892 11.35443 2.77878 -224.94036 874.88390
3345.0000 -236.22051 -224.44105 11.77946 2.75598 -225.41833 855.46921
3350.0000 -235.90640 -225.44590 10.46050 2.75469 -225.44531 847.41169
3355.0000 -234.96561 -224.79033 10.17528 2.78252 -224.86193 865.04035
3360.0000 -235.12891 -224.04698 11.08193 2.80770 -224.33405 885.66548
3365.0000 -235.09130 -224.66439 10.42691 2.80170 -224.45976 877.00726
3370.0000 -235.18831 -225.01323 10.17508 2.79609 -224.57737 869.77615
3375.0000 -235.94652 -225.66367 10.28285 2.80135 -224.46699 879.60961
3380.0000 -236.44016 -226.29838 10.14178 2.74528 -225.64271 846.80053
3385.0000 -237.21325 -225.69229 11.52096 2.69980 -226.59618 789.45373
3390.0000 -235.18798 -225.07366 10.11432 2.76284 -225.27447 843.46569
3395.0000 -235.56451 -225.18491 10.37960 2.77154 -225.09216 852.49807
3400.0000 -237.64590 -227.38511 10.26079 2.73290 -225.90218 860.30560
3405.0000 -236.05756 -224.76010 11.29746 2.71111 -226.35901 841.72311
3410.0000 -235.72923 -225.38768 10.34154 2.77956 -224.92385 890.66398
3415.0000 -234.43707 -223.78651 10.65055 2.79198 -224.66351 873.95621
3420.0000 -235.93699 -226.64203 9.29496 2.75965 -225.34127 837.30001
3425.0000 -235.02570 -224.46351 10.56220 2.74749 -225.59638 838.51315
3430.0000 -234.86034 -224.45603 10.40431 2.80818 -224.32383 852.58962
3435.0000 -235.50558 -225.74545 9.76013 2.77718 -224.97388 863.36605
3440.0000 -235.30893 -224.39813 10.91080 2.76096 -225.31381 859.83510
3445.0000 -237.10329 -224.62250 12.48079 2.81991 -224.07796 899.70537
3450.0000 -235.53117 -225.47690 10.05428 2.74209 -225.70946 832.11152
3455.0000 -236.48418 -224.05432 12.42986 2.83002 -223.86607 897.40433
3460.0000 -235.19132 -225.51428 9.67704 2.79800 -224.53727 884.71631
3465.0000 -237.12189 -227.74504 9.37684 2.71030 -226.37611 810.32958
3470.0000 -235.63515 -224.81120 10.82395 2.72635 -226.03962 837.32284
3475.0000 -235.37213 -224.03490 11.33723 2.76580 -225.21246 870.06162
3480.0000 -235.73915 -224.15815 11.58100 2.86136 -223.20884 916.34419
3485.0000 -235.06409 -224.24216 10.82193 2.83013 -223.86361 899.97406
3490.0000 -235.05606 -224.84609 10.20998 2.81773 -224.12365 869.17769
3495.0000 -235.02762 -224.84195 10.18566 2.79770 -224.54360 867.74988
3500.0000 -235.96684 -224.37365 11.59318 2.80039 -224.48713 886.86263
FREEZING PROCESS: loop number 15 T-loop= 846.00000000000000
main_MD> interactions number 15 at Temperature= 846.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.53498 -1.19065 -2.14406
force_rgl> df(natom) 3.49311 2.30174 -0.38765
3505.0000 -237.33144 -226.10613 11.22531 2.76288 -225.27365 844.50677
3510.0000 -236.82507 -225.99098 10.83409 2.72638 -226.03893 837.42412
3515.0000 -236.72701 -224.64596 12.08105 2.77064 -225.11093 864.90992
3520.0000 -236.95659 -226.60553 10.35106 2.74189 -225.71378 856.30504
3525.0000 -234.16448 -224.37202 9.79246 2.74289 -225.69278 843.02982
3530.0000 -235.11201 -225.10278 10.00924 2.80167 -224.46047 874.44414
3535.0000 -236.13562 -225.20976 10.92586 2.74728 -225.60072 854.84257
3540.0000 -236.30497 -224.08820 12.21677 2.79215 -224.66003 882.75404
3545.0000 -235.60853 -223.25607 12.35246 2.82285 -224.01624 878.46335
3550.0000 -235.40522 -224.18918 11.21605 2.83051 -223.85575 895.40991
3555.0000 -232.95535 -222.37536 10.58000 2.86098 -223.21679 934.87971
3560.0000 -237.02474 -226.62959 10.39516 2.81722 -224.13431 868.30276
3565.0000 -234.77129 -224.07050 10.70079 2.73199 -225.92124 845.05637
3570.0000 -235.33065 -222.78388 12.54677 2.87606 -222.90075 939.08571
3575.0000 -236.86361 -225.87685 10.98676 2.73646 -225.82759 836.96877
3580.0000 -234.70464 -222.76822 11.93642 2.80298 -224.43301 873.34351
3585.0000 -235.60227 -224.51766 11.08462 2.80960 -224.29412 880.38070
3590.0000 -235.20752 -224.63626 10.57126 2.76040 -225.32571 851.55670
3595.0000 -235.36235 -222.75787 12.60448 2.79727 -224.55261 870.54079
3600.0000 -236.10062 -224.50357 11.59706 2.79137 -224.67636 868.53568
3605.0000 -235.63711 -224.19708 11.44003 2.82736 -223.92168 908.81360
3610.0000 -237.82652 -226.41677 11.40976 2.74977 -225.54846 842.71864
3615.0000 -235.59493 -224.06390 11.53103 2.79650 -224.56887 866.37934
3620.0000 -236.36115 -226.14897 10.21218 2.79466 -224.60738 869.21058
3625.0000 -236.07344 -225.11107 10.96237 2.73768 -225.80209 833.17895
3630.0000 -235.84201 -225.89759 9.94442 2.73917 -225.77073 835.02734
3635.0000 -236.15222 -223.93090 12.22132 2.79524 -224.59523 862.02013
3640.0000 -235.92276 -224.92217 11.00059 2.82708 -223.92760 883.55991
3645.0000 -234.32820 -223.46049 10.86771 2.76954 -225.13411 847.61190
3650.0000 -237.66987 -228.06038 9.60949 2.71851 -226.20399 845.61603
3655.0000 -237.95469 -226.30957 11.64512 2.64095 -227.83012 779.11285
3660.0000 -235.29692 -225.51565 9.78127 2.72821 -226.00057 848.50523
3665.0000 -235.78199 -225.65220 10.12980 2.75441 -225.45116 867.33631
3670.0000 -236.32469 -226.81650 9.50819 2.71174 -226.34579 807.59984
3675.0000 -237.63062 -227.77472 9.85589 2.66568 -227.31152 795.19743
3680.0000 -237.59537 -226.55326 11.04211 2.72902 -225.98354 840.76837
3685.0000 -235.03240 -224.00759 11.02481 2.74082 -225.73623 861.44401
3690.0000 -233.72503 -223.77100 9.95403 2.85088 -223.42862 913.13655
3695.0000 -234.95084 -224.09713 10.85371 2.81906 -224.09588 867.01633
3700.0000 -237.51050 -228.32236 9.18814 2.71773 -226.22024 831.24290
3705.0000 -237.47027 -226.55295 10.91732 2.62025 -228.26400 756.39916
3710.0000 -237.00162 -226.71312 10.28851 2.73098 -225.94239 852.10546
3715.0000 -236.10070 -225.24139 10.85931 2.68141 -226.98172 784.43004
3720.0000 -234.64905 -223.09766 11.55139 2.83714 -223.71664 913.35214
3725.0000 -236.93130 -225.94260 10.98870 2.79823 -224.53249 881.32976
3730.0000 -236.55959 -226.23964 10.31995 2.70761 -226.43233 826.19329
3735.0000 -235.75484 -226.08904 9.66579 2.66935 -227.23453 797.52855
3740.0000 -236.04862 -223.10024 12.94838 2.78273 -224.85742 871.86955
3745.0000 -236.56078 -225.50317 11.05761 2.79098 -224.68447 882.66623
3750.0000 -235.00697 -225.20652 9.80046 2.70609 -226.46431 827.54828
FREEZING PROCESS: loop number 16 T-loop= 821.00000000000000
main_MD> interactions number 16 at Temperature= 821.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84052 -0.26372 -2.15005
force_rgl> df(natom) -7.30781 -2.36423 4.01104
3755.0000 -235.48450 -225.83426 9.65024 2.79031 -224.69850 846.15585
3760.0000 -236.40768 -225.31333 11.09436 2.71656 -226.24484 832.19735
3765.0000 -236.36088 -226.64528 9.71560 2.72310 -226.10767 847.74686
3770.0000 -238.12233 -228.20004 9.92229 2.69774 -226.63946 816.99322
3775.0000 -236.21574 -227.42602 8.78972 2.61842 -228.30248 778.98070
3780.0000 -238.11871 -228.67159 9.44711 2.65338 -227.56946 792.98227
3785.0000 -238.17745 -228.63433 9.54312 2.63174 -228.02321 771.47763
3790.0000 -237.19587 -226.87771 10.31816 2.61549 -228.36392 779.57475
3795.0000 -236.75412 -225.80626 10.94786 2.67167 -227.18585 792.94412
3800.0000 -233.32582 -222.92074 10.40507 2.79151 -224.67339 852.97722
3805.0000 -236.98851 -225.51214 11.47637 2.75928 -225.34908 860.11087
3810.0000 -237.56059 -227.05554 10.50506 2.66053 -227.41957 809.34465
3815.0000 -238.06742 -228.10671 9.96071 2.62876 -228.08564 782.29167
3820.0000 -236.64252 -227.21081 9.43172 2.64619 -227.72025 789.05806
3825.0000 -238.06339 -226.56921 11.49417 2.67873 -227.03793 811.01177
3830.0000 -237.60288 -225.32207 12.28081 2.70868 -226.40998 846.09886
3835.0000 -237.32957 -226.30336 11.02621 2.78750 -224.75749 871.97118
3840.0000 -232.97180 -222.73294 10.23886 2.79342 -224.63329 862.99435
3845.0000 -236.90719 -226.51188 10.39530 2.83184 -223.82794 901.52580
3850.0000 -234.77697 -224.33117 10.44580 2.75522 -225.43423 849.44489
3855.0000 -235.88492 -225.36245 10.52247 2.76150 -225.30262 861.58835
3860.0000 -236.18617 -225.50641 10.67976 2.78520 -224.80576 877.94003
3865.0000 -236.77660 -226.20248 10.57412 2.75680 -225.40107 859.98963
3870.0000 -233.78303 -222.59436 11.18866 2.87117 -223.00332 910.71683
3875.0000 -236.85489 -226.05986 10.79503 2.75635 -225.41046 849.80962
3880.0000 -235.28835 -225.21241 10.07595 2.73653 -225.82608 820.42160
3885.0000 -236.99600 -226.11656 10.87943 2.77621 -224.99409 888.44947
3890.0000 -237.11539 -227.17697 9.93841 2.68858 -226.83141 832.34978
3895.0000 -235.36103 -223.25587 12.10517 2.74675 -225.61175 864.50163
3900.0000 -234.27778 -224.31626 9.96152 2.77761 -224.96485 859.61793
3905.0000 -235.50929 -225.09413 10.41516 2.77928 -224.92975 854.96729
3910.0000 -236.87443 -225.51624 11.35818 2.81759 -224.12661 891.82159
3915.0000 -233.15368 -222.26387 10.88981 2.82744 -223.92001 880.80578
3920.0000 -235.79252 -224.75044 11.04209 2.80835 -224.32035 878.07067
3925.0000 -235.71212 -225.25691 10.45521 2.75851 -225.36529 855.67703
3930.0000 -236.14110 -226.65217 9.48893 2.72769 -226.01140 817.28409
3935.0000 -235.47182 -225.64377 9.82806 2.74691 -225.60847 818.75582
3940.0000 -237.29227 -226.28774 11.00453 2.76837 -225.15861 859.70227
3945.0000 -236.12115 -225.80970 10.31145 2.72864 -225.99157 826.56719
3950.0000 -236.82134 -226.98249 9.83886 2.68998 -226.80198 808.98273
3955.0000 -236.90239 -226.39204 10.51035 2.64645 -227.71472 775.35574
3960.0000 -236.49092 -227.69237 8.79855 2.70987 -226.38512 810.49402
3965.0000 -235.89856 -225.59049 10.30807 2.69817 -226.63030 784.59295
3970.0000 -237.02857 -225.81778 11.21079 2.75057 -225.53165 842.95729
3975.0000 -236.38666 -226.41159 9.97507 2.73899 -225.77453 869.22896
3980.0000 -236.11877 -226.07526 10.04351 2.70454 -226.49689 817.74427
3985.0000 -234.53329 -223.48964 11.04365 2.77608 -224.99682 844.82987
3990.0000 -235.08357 -223.79424 11.28932 2.78524 -224.80485 863.79435
3995.0000 -236.84063 -226.58212 10.25850 2.70161 -226.55817 836.07165
4000.0000 -238.64862 -228.07005 10.57857 2.64939 -227.65314 797.85892
FREEZING PROCESS: loop number 17 T-loop= 796.00000000000000
main_MD> interactions number 17 at Temperature= 796.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.42370 -1.04978 1.81669
force_rgl> df(natom) -1.37340 1.55069 0.63808
4005.0000 -238.45409 -227.57069 10.88340 2.61968 -228.27597 766.04244
4010.0000 -237.03757 -226.86917 10.16840 2.67399 -227.13733 812.08035
4015.0000 -237.56787 -227.36123 10.20664 2.65736 -227.48588 808.86324
4020.0000 -235.24789 -224.97699 10.27091 2.71217 -226.33687 821.14159
4025.0000 -238.05838 -229.03803 9.02035 2.67689 -227.07655 821.07653
4030.0000 -236.67104 -225.90020 10.77084 2.68992 -226.80341 828.11148
4035.0000 -236.59818 -225.79787 10.80031 2.73392 -225.88080 837.01673
4040.0000 -237.46472 -228.05587 9.40885 2.69282 -226.74251 802.18681
4045.0000 -236.95318 -227.32850 9.62468 2.65140 -227.61095 794.63654
4050.0000 -236.04200 -226.99935 9.04265 2.69189 -226.76202 813.71956
4055.0000 -236.41757 -226.67458 9.74299 2.70273 -226.53479 809.51547
4060.0000 -234.85990 -223.97062 10.88928 2.73349 -225.88992 825.92873
4065.0000 -235.25721 -224.05810 11.19911 2.82283 -224.01672 886.52448
4070.0000 -235.87616 -225.78649 10.08967 2.77685 -224.98073 859.96607
4075.0000 -237.54884 -226.71534 10.83349 2.68163 -226.97707 824.16689
4080.0000 -237.13534 -227.19646 9.93888 2.70348 -226.51894 814.25192
4085.0000 -237.18348 -227.44991 9.73357 2.67566 -227.10238 784.46785
4090.0000 -237.64866 -228.58613 9.06253 2.67070 -227.20625 803.21369
4095.0000 -236.62639 -227.45329 9.17309 2.63528 -227.94892 783.38928
4100.0000 -240.01630 -230.06914 9.94716 2.59927 -228.70388 753.48238
4105.0000 -237.67408 -228.26078 9.41330 2.58628 -228.97631 744.87904
4110.0000 -236.58408 -226.96580 9.61828 2.68948 -226.81247 821.58555
4115.0000 -238.63486 -228.69324 9.94162 2.62004 -228.26840 769.29201
4120.0000 -238.13670 -229.54619 8.59052 2.55345 -229.66446 724.62788
4125.0000 -238.18225 -230.08384 8.09841 2.56106 -229.50489 742.74938
4130.0000 -239.96437 -229.34866 10.61571 2.55677 -229.59491 751.09135
4135.0000 -238.69181 -230.19063 8.50119 2.52646 -230.23035 726.18096
4140.0000 -238.78227 -228.81195 9.97032 2.58003 -229.10725 754.21739
4145.0000 -237.58182 -226.92329 10.65853 2.65588 -227.51710 814.17123
4150.0000 -237.24567 -227.03561 10.21006 2.67745 -227.06471 797.15124
4155.0000 -237.82403 -228.05598 9.76805 2.64484 -227.74842 757.94724
4160.0000 -237.13712 -227.82970 9.30742 2.62963 -228.06730 766.21060
4165.0000 -239.05214 -230.52106 8.53108 2.61218 -228.43330 741.16460
4170.0000 -237.76167 -228.76745 8.99422 2.55203 -229.69437 732.11090
4175.0000 -237.35076 -226.56354 10.78722 2.65456 -227.54461 802.26198
4180.0000 -237.09561 -227.19501 9.90060 2.68735 -226.85715 820.73772
4185.0000 -237.46261 -228.76083 8.70179 2.64475 -227.75036 799.60362
4190.0000 -238.71139 -230.39008 8.32131 2.58236 -229.05836 758.62016
4195.0000 -239.63083 -229.60982 10.02100 2.49730 -230.84188 691.85828
4200.0000 -239.62025 -230.11268 9.50757 2.54088 -229.92814 756.50569
4205.0000 -237.99870 -229.40924 8.58946 2.54435 -229.85543 725.60378
4210.0000 -237.86474 -228.21944 9.64530 2.63856 -227.88017 776.79050
4215.0000 -236.39173 -227.36881 9.02293 2.64774 -227.68774 772.96366
4220.0000 -235.43929 -225.82962 9.60966 2.70626 -226.46074 815.84404
4225.0000 -235.90766 -225.55810 10.34957 2.74803 -225.58491 829.92998
4230.0000 -236.01224 -225.73024 10.28201 2.74768 -225.59223 816.20460
4235.0000 -234.04561 -224.11672 9.92889 2.78789 -224.74926 843.54735
4240.0000 -236.27077 -226.53345 9.73732 2.72491 -226.06983 834.06680
4245.0000 -236.64434 -226.96147 9.68288 2.67415 -227.13396 819.20712
4250.0000 -234.88815 -226.28428 8.60387 2.68666 -226.87174 823.85237
FREEZING PROCESS: loop number 18 T-loop= 771.00000000000000
main_MD> interactions number 18 at Temperature= 771.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94582 -1.11770 -1.26567
force_rgl> df(natom) -1.99830 -0.46932 1.11268
4255.0000 -235.39974 -226.49888 8.90087 2.72379 -226.09320 824.15842
4260.0000 -237.69979 -228.11542 9.58437 2.65466 -227.54256 777.58970
4265.0000 -238.29589 -228.35544 9.94045 2.63558 -227.94258 784.66272
4270.0000 -237.58669 -227.98939 9.59730 2.65729 -227.48741 791.95478
4275.0000 -236.10810 -228.15956 7.94854 2.64376 -227.77102 774.61406
4280.0000 -237.86532 -227.85872 10.00661 2.62145 -228.23876 756.69254
4285.0000 -237.60407 -228.05126 9.55281 2.64869 -227.66782 785.41475
4290.0000 -238.55692 -229.42747 9.12944 2.56547 -229.41259 738.18291
4295.0000 -236.95423 -227.37337 9.58086 2.62245 -228.21788 774.47319
4300.0000 -239.34220 -229.37512 9.96708 2.60615 -228.55971 757.54692
4305.0000 -237.80233 -227.16442 10.63790 2.62165 -228.23469 794.45941
4310.0000 -237.74016 -227.99956 9.74060 2.63713 -227.91009 779.49859
4315.0000 -237.72545 -228.22172 9.50373 2.63443 -227.96663 788.33591
4320.0000 -236.79040 -226.54263 10.24777 2.63919 -227.86684 777.71690
4325.0000 -236.80909 -226.36837 10.44072 2.72520 -226.06357 822.36403
4330.0000 -237.05016 -226.87998 10.17019 2.68351 -226.93775 817.20302
4335.0000 -239.28411 -227.70522 11.57889 2.63524 -227.94972 799.19847
4340.0000 -237.45203 -227.81696 9.63507 2.66070 -227.41588 798.91484
4345.0000 -238.60568 -230.44498 8.16070 2.54824 -229.77376 727.14864
4350.0000 -240.33189 -230.69175 9.64014 2.54964 -229.74438 722.30044
4355.0000 -238.57098 -229.83480 8.73618 2.51370 -230.49787 718.58728
4360.0000 -239.13000 -229.44419 9.68581 2.57242 -229.26688 740.97201
4365.0000 -239.39835 -230.39333 9.00501 2.52346 -230.29337 713.30974
4370.0000 -238.39234 -229.62175 8.77059 2.48254 -231.15116 689.22590
4375.0000 -237.30392 -229.11285 8.19107 2.58043 -229.09886 757.19387
4380.0000 -237.60395 -229.04037 8.56358 2.58943 -228.91015 748.95964
4385.0000 -237.47478 -227.63256 9.84222 2.58922 -228.91469 747.11626
4390.0000 -239.10783 -229.67626 9.43157 2.57948 -229.11889 728.79790
4395.0000 -238.37767 -229.15625 9.22143 2.59042 -228.88938 758.07225
4400.0000 -237.19645 -229.42726 7.76919 2.60740 -228.53339 746.04412
4405.0000 -238.75572 -230.87136 7.88436 2.54210 -229.90241 704.33272
4410.0000 -238.53251 -230.38069 8.15182 2.51479 -230.47508 703.84879
4415.0000 -237.76504 -228.83020 8.93485 2.56160 -229.49370 758.84652
4420.0000 -236.09486 -227.15728 8.93758 2.62603 -228.14286 803.17123
4425.0000 -240.17059 -230.07518 10.09542 2.61448 -228.38502 765.63891
4430.0000 -236.45489 -227.64577 8.80912 2.58100 -229.08690 765.30880
4435.0000 -238.51165 -228.48211 10.02955 2.63696 -227.91368 772.75127
4440.0000 -239.40551 -229.68882 9.71669 2.60511 -228.58148 766.84154
4445.0000 -239.15730 -228.68192 10.47539 2.62411 -228.18310 777.77958
4450.0000 -237.26921 -228.15851 9.11070 2.60461 -228.59202 755.12099
4455.0000 -239.15864 -230.40191 8.75673 2.58575 -228.98744 752.75745
4460.0000 -239.40119 -228.88045 10.52074 2.51839 -230.39957 705.82294
4465.0000 -238.55904 -229.23188 9.32716 2.63662 -227.92088 776.88979
4470.0000 -238.62071 -228.64096 9.97975 2.56453 -229.43228 733.78615
4475.0000 -239.12001 -229.34917 9.77084 2.57805 -229.14880 744.42396
4480.0000 -239.44247 -229.69059 9.75188 2.56027 -229.52158 740.02107
4485.0000 -238.79851 -229.19239 9.60613 2.55137 -229.70818 740.83517
4490.0000 -237.60540 -227.21552 10.38988 2.60570 -228.56900 759.94903
4495.0000 -238.63955 -227.13482 11.50473 2.65270 -227.58369 788.73879
4500.0000 -239.44468 -228.25652 11.18815 2.62945 -228.07106 785.48114
FREEZING PROCESS: loop number 19 T-loop= 746.00000000000000
main_MD> interactions number 19 at Temperature= 746.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.25722 -1.60955 1.17687
force_rgl> df(natom) -2.37174 -1.53323 1.81611
4505.0000 -237.90794 -229.99734 7.91060 2.58030 -229.10155 739.65593
4510.0000 -238.58555 -229.21654 9.36901 2.60140 -228.65916 761.96871
4515.0000 -240.66386 -230.50197 10.16189 2.54432 -229.85600 734.79973
4520.0000 -237.84299 -229.44963 8.39336 2.55665 -229.59739 746.13781
4525.0000 -238.85190 -230.72953 8.12237 2.53177 -230.11899 723.10119
4530.0000 -239.83299 -230.78270 9.05030 2.50208 -230.74147 699.25982
4535.0000 -240.24311 -231.98461 8.25850 2.46071 -231.60895 677.85893
4540.0000 -238.25111 -229.32699 8.92413 2.47749 -231.25710 685.08050
4545.0000 -239.16696 -228.53474 10.63222 2.59013 -228.89560 761.79925
4550.0000 -237.77811 -227.84463 9.93348 2.66486 -227.32879 810.00002
4555.0000 -236.99648 -227.62291 9.37356 2.62543 -228.15537 761.85544
4560.0000 -238.06012 -228.83753 9.22259 2.65158 -227.60723 799.68889
4565.0000 -237.87804 -228.45574 9.42230 2.61189 -228.43922 762.41314
4570.0000 -236.65034 -226.81593 9.83442 2.61915 -228.28717 784.75556
4575.0000 -238.89032 -229.65579 9.23454 2.63880 -227.87509 775.44044
4580.0000 -238.91855 -230.80996 8.10859 2.52749 -230.20876 721.15038
4585.0000 -239.19399 -231.45648 7.73750 2.52872 -230.18302 723.22767
4590.0000 -240.30720 -231.62511 8.68208 2.49954 -230.79475 709.61345
4595.0000 -238.58276 -229.44991 9.13285 2.55499 -229.63223 731.07375
4600.0000 -238.89679 -229.44447 9.45233 2.56934 -229.33143 736.66131
4605.0000 -239.56386 -230.09913 9.46473 2.53427 -230.06661 747.99216
4610.0000 -238.90865 -229.37436 9.53430 2.54687 -229.80246 737.11999
4615.0000 -237.08890 -226.90974 10.17916 2.61077 -228.46288 770.19242
4620.0000 -238.10300 -227.59157 10.51144 2.66004 -227.42977 808.79032
4625.0000 -237.32571 -228.05538 9.27033 2.61950 -228.27979 767.76181
4630.0000 -237.90986 -228.83515 9.07470 2.58343 -229.03590 744.98411
4635.0000 -238.38016 -227.93536 10.44480 2.61803 -228.31059 760.16371
4640.0000 -238.84324 -228.96119 9.88206 2.59858 -228.71833 765.03575
4645.0000 -237.35509 -228.53230 8.82279 2.56644 -229.39225 748.36505
4650.0000 -237.49761 -228.15219 9.34543 2.64644 -227.71492 791.64109
4655.0000 -238.85688 -229.82109 9.03579 2.55206 -229.69368 731.60518
4660.0000 -238.75012 -228.89055 9.85957 2.56900 -229.33855 756.26840
4665.0000 -239.93004 -230.42424 9.50580 2.51886 -230.38977 710.32636
4670.0000 -238.92983 -230.51937 8.41046 2.49630 -230.86285 708.01087
4675.0000 -238.14555 -229.35830 8.78725 2.54342 -229.87476 727.14982
4680.0000 -235.22947 -225.42839 9.80108 2.64488 -227.74758 769.39068
4685.0000 -236.33839 -226.00346 10.33493 2.70091 -226.57291 831.59431
4690.0000 -237.49441 -227.26191 10.23250 2.70672 -226.45114 825.52990
4695.0000 -238.98551 -230.67612 8.30939 2.60757 -228.52993 762.61474
4700.0000 -238.67788 -229.21853 9.45935 2.54016 -229.94323 718.93408
4705.0000 -239.01056 -229.92443 9.08613 2.54323 -229.87875 721.33717
4710.0000 -238.31523 -229.39680 8.91842 2.57647 -229.18186 746.91460
4715.0000 -238.53003 -229.77019 8.75984 2.55902 -229.54782 720.67528
4720.0000 -237.98488 -228.13979 9.84508 2.55898 -229.54860 726.96650
4725.0000 -239.59189 -230.37237 9.21952 2.57671 -229.17689 742.70868
4730.0000 -238.33757 -230.43528 7.90229 2.52199 -230.32422 698.40174
4735.0000 -238.52110 -229.11986 9.40124 2.53787 -229.99128 734.82684
4740.0000 -239.03951 -229.71262 9.32690 2.55149 -229.70573 749.11408
4745.0000 -238.05939 -228.12873 9.93066 2.56101 -229.50611 736.05167
4750.0000 -239.62730 -230.24181 9.38549 2.56338 -229.45643 736.46149
FREEZING PROCESS: loop number 20 T-loop= 721.00000000000000
main_MD> interactions number 20 at Temperature= 721.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12588 -0.24687 -1.29556
force_rgl> df(natom) -3.11658 -1.33320 -0.46386
4755.0000 -239.08197 -228.94181 10.14015 2.57364 -229.24114 749.83682
4760.0000 -237.95280 -228.33428 9.61851 2.60374 -228.61008 770.37668
4765.0000 -237.72568 -228.36040 9.36528 2.61089 -228.46025 753.52797
4770.0000 -237.44864 -228.20596 9.24268 2.58922 -228.91453 747.36228
4775.0000 -237.70117 -228.91421 8.78696 2.59404 -228.81353 771.47356
4780.0000 -237.32791 -229.49533 7.83259 2.58290 -229.04705 738.82626
4785.0000 -238.30395 -230.46681 7.83714 2.54014 -229.94368 702.84188
4790.0000 -239.31615 -230.50015 8.81601 2.54645 -229.81132 734.10130
4795.0000 -238.90990 -230.79922 8.11068 2.57400 -229.23362 754.50613
4800.0000 -238.85140 -229.90838 8.94303 2.57913 -229.12618 725.39660
4805.0000 -237.40516 -229.91772 7.48744 2.55694 -229.59127 717.19676
4810.0000 -238.37217 -230.02764 8.34454 2.50883 -230.60009 721.10953
4815.0000 -240.29524 -231.36686 8.92838 2.48764 -231.04434 695.23707
4820.0000 -239.25179 -230.49824 8.75355 2.46629 -231.49185 679.00788
4825.0000 -239.63467 -231.58560 8.04906 2.49688 -230.85051 701.73062
4830.0000 -238.60434 -229.09020 9.51414 2.52165 -230.33119 700.23663
4835.0000 -239.07244 -228.30143 10.77101 2.61667 -228.33912 775.19083
4840.0000 -237.26482 -228.50686 8.75796 2.61838 -228.30322 766.97156
4845.0000 -240.41148 -230.52857 9.88291 2.54341 -229.87504 720.20535
4850.0000 -238.69948 -230.40944 8.29004 2.52655 -230.22858 724.08658
4855.0000 -239.38062 -230.61894 8.76168 2.52313 -230.30024 717.60915
4860.0000 -237.12854 -227.18295 9.94558 2.54429 -229.85652 733.25019
4865.0000 -238.33113 -228.07676 10.25437 2.68555 -226.89484 815.99849
4870.0000 -238.56253 -229.35350 9.20903 2.59436 -228.80674 738.65733
4875.0000 -238.39524 -231.08733 7.30790 2.51432 -230.48504 697.97578
4880.0000 -238.95086 -230.03660 8.91426 2.53480 -230.05549 725.98635
4885.0000 -239.58519 -229.79608 9.78910 2.57579 -229.19622 747.06356
4890.0000 -239.18752 -230.37104 8.81648 2.52376 -230.28696 711.23393
4895.0000 -239.04701 -230.76935 8.27766 2.54065 -229.93296 723.88095
4900.0000 -241.23208 -232.16481 9.06726 2.47248 -231.36211 699.83507
4905.0000 -241.02315 -231.87217 9.15098 2.43802 -232.08456 676.89527
4910.0000 -239.78124 -231.49996 8.28128 2.42228 -232.41467 663.61469
4915.0000 -237.88278 -229.40746 8.47533 2.49300 -230.93198 689.37834
4920.0000 -238.47171 -228.41573 10.05598 2.56494 -229.42372 735.26775
4925.0000 -238.92648 -230.03030 8.89618 2.54966 -229.74402 738.43144
4930.0000 -238.70293 -230.89786 7.80507 2.53550 -230.04083 732.37138
4935.0000 -238.07782 -229.13467 8.94315 2.54679 -229.80419 727.57347
4940.0000 -238.36230 -230.46741 7.89488 2.51037 -230.56783 705.59040
4945.0000 -238.90662 -230.55705 8.34957 2.51453 -230.48055 688.25582
4950.0000 -239.48190 -230.53069 8.95121 2.50093 -230.76570 687.47618
4955.0000 -239.33570 -230.61464 8.72106 2.54192 -229.90624 738.41469
4960.0000 -239.69285 -231.72652 7.96634 2.50269 -230.72877 693.76261
4965.0000 -239.66452 -230.54144 9.12308 2.49042 -230.98605 700.19901
4970.0000 -238.89811 -229.75010 9.14801 2.52430 -230.27564 709.23063
4975.0000 -240.21575 -231.48920 8.72655 2.48081 -231.18740 673.10657
4980.0000 -240.28044 -231.08843 9.19201 2.48348 -231.13151 709.45070
4985.0000 -236.57973 -226.70994 9.86979 2.56911 -229.33616 732.20618
4990.0000 -238.03663 -229.89612 8.14051 2.59508 -228.79165 759.69898
4995.0000 -239.58138 -230.42285 9.15853 2.55245 -229.68557 756.12749
5000.0000 -238.43409 -229.23010 9.20399 2.52762 -230.20613 737.75768
FREEZING PROCESS: loop number 21 T-loop= 696.00000000000000
main_MD> interactions number 21 at Temperature= 696.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41965 1.57959 2.52972
force_rgl> df(natom) -0.46484 0.95319 -0.87981
5005.0000 -238.67737 -230.51913 8.15824 2.54821 -229.77445 744.71476
5010.0000 -238.60921 -232.40946 6.19975 2.43890 -232.06619 666.17216
5015.0000 -240.26071 -230.52011 9.74061 2.46977 -231.41895 671.41223
5020.0000 -238.53183 -230.24141 8.29041 2.52158 -230.33269 703.44233
5025.0000 -239.13941 -230.79225 8.34716 2.51316 -230.50930 705.31798
5030.0000 -239.97994 -231.04901 8.93093 2.48252 -231.15171 693.75516
5035.0000 -240.93892 -233.62234 7.31658 2.42552 -232.34677 660.45919
5040.0000 -238.19285 -228.55482 9.63803 2.48891 -231.01776 688.80264
5045.0000 -238.69807 -229.50964 9.18843 2.60651 -228.55207 768.66657
5050.0000 -236.00914 -226.45202 9.55712 2.61939 -228.28209 726.54952
5055.0000 -239.13126 -229.67415 9.45711 2.64508 -227.74351 771.34505
5060.0000 -238.69013 -231.25577 7.43436 2.53725 -230.00410 721.82745
5065.0000 -239.02312 -229.91876 9.10436 2.56442 -229.43453 728.29914
5070.0000 -237.80812 -229.23499 8.57313 2.55858 -229.55703 753.34843
5075.0000 -238.22313 -228.86315 9.35998 2.58798 -228.94066 759.60642
5080.0000 -239.24428 -229.53420 9.71009 2.53137 -230.12737 722.92117
5085.0000 -239.76062 -231.47070 8.28992 2.52807 -230.19667 722.12014
5090.0000 -239.47965 -231.70709 7.77255 2.46967 -231.42110 667.53833
5095.0000 -240.28707 -231.79745 8.48963 2.43331 -232.18337 646.96002
5100.0000 -239.90798 -232.05340 7.85459 2.45370 -231.75594 666.93683
5105.0000 -239.71152 -230.82646 8.88505 2.42875 -232.27904 642.05596
5110.0000 -238.26928 -229.75587 8.51341 2.51837 -230.40013 698.40932
5115.0000 -239.39444 -229.95898 9.43546 2.53859 -229.97613 715.53292
5120.0000 -239.40443 -231.93812 7.46630 2.46609 -231.49620 679.36430
5125.0000 -240.28539 -232.72363 7.56176 2.43525 -232.14281 653.96676
5130.0000 -239.94955 -232.25572 7.69384 2.44908 -231.85267 672.84094
5135.0000 -240.42756 -233.29995 7.12761 2.43548 -232.13780 635.25647
5140.0000 -239.36601 -231.77909 7.58692 2.45047 -231.82363 657.96848
5145.0000 -240.43851 -231.40287 9.03564 2.43577 -232.13184 664.40688
5150.0000 -240.90838 -232.70914 8.19924 2.45995 -231.62480 703.15169
5155.0000 -241.82137 -233.72461 8.09676 2.41197 -232.63088 670.88049
5160.0000 -240.85158 -232.21752 8.63406 2.40918 -232.68933 682.91900
5165.0000 -240.00368 -231.63751 8.36617 2.47074 -231.39866 688.52012
5170.0000 -240.18828 -231.66089 8.52739 2.48970 -231.00106 686.67413
5175.0000 -239.90018 -230.79861 9.10157 2.45400 -231.74960 671.51062
5180.0000 -240.16786 -231.53365 8.63421 2.47218 -231.36844 679.04928
5185.0000 -240.10012 -230.64217 9.45795 2.46196 -231.58268 675.92941
5190.0000 -240.03949 -229.77237 10.26712 2.52116 -230.34155 712.24792
5195.0000 -239.08918 -230.26519 8.82399 2.52522 -230.25634 728.06622
5200.0000 -239.20210 -231.74283 7.45926 2.49567 -230.87598 703.28483
5205.0000 -241.02279 -232.81871 8.20407 2.44570 -231.92358 672.24240
5210.0000 -241.85123 -234.61004 7.24118 2.36986 -233.51372 629.96200
5215.0000 -239.98814 -232.10987 7.87827 2.38764 -233.14080 628.46915
5220.0000 -237.75759 -228.84909 8.90850 2.51370 -230.49804 690.82416
5225.0000 -236.86861 -227.04548 9.82314 2.63011 -228.05722 761.67696
5230.0000 -238.09742 -228.62071 9.47672 2.66482 -227.32950 774.70042
5235.0000 -239.59070 -229.60926 9.98144 2.57489 -229.21512 759.53349
5240.0000 -238.35745 -229.82007 8.53738 2.49885 -230.80933 707.66937
5245.0000 -240.83140 -232.61006 8.22134 2.45774 -231.67114 673.32508
5250.0000 -241.80860 -232.21344 9.59516 2.42281 -232.40352 654.38321
FREEZING PROCESS: loop number 22 T-loop= 671.00000000000000
main_MD> interactions number 22 at Temperature= 671.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.33513 5.82300 2.66540
force_rgl> df(natom) -0.01449 -0.46077 0.18468
5255.0000 -241.18431 -232.89586 8.28845 2.40818 -232.71031 657.33435
5260.0000 -241.54973 -232.87387 8.67586 2.37622 -233.38025 632.57879
5265.0000 -241.36457 -234.05335 7.31122 2.35319 -233.86312 599.02052
5270.0000 -240.60462 -232.61368 7.99094 2.38274 -233.24360 622.29761
5275.0000 -240.12763 -231.73665 8.39099 2.42205 -232.41937 649.37223
5280.0000 -240.86874 -232.85326 8.01548 2.43854 -232.07378 668.85967
5285.0000 -240.12046 -233.68481 6.43565 2.41328 -232.60329 651.83770
5290.0000 -241.00716 -232.44360 8.56356 2.43621 -232.12259 649.31785
5295.0000 -240.60048 -232.23909 8.36140 2.46054 -231.61248 690.74059
5300.0000 -240.15991 -232.18940 7.97051 2.46000 -231.62384 677.61690
5305.0000 -237.74947 -228.89222 8.85725 2.50955 -230.58496 706.04698
5310.0000 -237.81733 -228.37319 9.44414 2.60662 -228.54968 750.84526
5315.0000 -239.47948 -231.81257 7.66691 2.51076 -230.55955 703.39734
5320.0000 -239.87209 -232.13505 7.73704 2.43496 -232.14885 661.92328
5325.0000 -239.19615 -230.71320 8.48295 2.48954 -231.00447 676.06251
5330.0000 -240.42077 -231.00379 9.41699 2.50215 -230.74002 691.73364
5335.0000 -239.67582 -230.36144 9.31438 2.48646 -231.06898 687.17121
5340.0000 -240.22090 -232.34763 7.87326 2.44521 -231.93393 694.08359
5345.0000 -240.93291 -232.00735 8.92556 2.44444 -231.94999 676.70060
5350.0000 -238.60851 -230.52552 8.08298 2.47279 -231.35561 689.67879
5355.0000 -239.18088 -230.98789 8.19299 2.49751 -230.83737 675.26259
5360.0000 -239.38496 -231.48717 7.89779 2.47184 -231.37558 673.46995
5365.0000 -239.20438 -231.21679 7.98759 2.48017 -231.20087 639.29857
5370.0000 -240.29121 -233.04961 7.24160 2.43355 -232.17837 653.75347
5375.0000 -240.09266 -230.97323 9.11943 2.44119 -232.01809 661.64286
5380.0000 -240.25793 -232.47456 7.78337 2.44588 -231.91994 654.65616
5385.0000 -240.37686 -232.52628 7.85057 2.41348 -232.59923 649.73298
5390.0000 -242.48354 -234.02157 8.46197 2.38541 -233.18776 623.45613
5395.0000 -241.39891 -232.96916 8.42975 2.39622 -232.96107 646.68395
5400.0000 -241.87478 -232.83708 9.03771 2.39897 -232.90339 660.07957
5405.0000 -240.79328 -232.24056 8.55272 2.40397 -232.79846 646.35553
5410.0000 -240.36381 -231.90201 8.46180 2.41167 -232.63708 643.42056
5415.0000 -240.61496 -232.28430 8.33066 2.41569 -232.55288 638.13262
5420.0000 -239.89678 -231.94403 7.95275 2.41668 -232.53209 634.34589
5425.0000 -239.96695 -231.98072 7.98622 2.41923 -232.47852 668.72916
5430.0000 -241.57476 -233.65851 7.91626 2.38648 -233.16525 640.64805
5435.0000 -240.75393 -232.01100 8.74293 2.38919 -233.10843 631.32809
5440.0000 -240.52147 -232.17920 8.34227 2.44205 -232.00023 671.54569
5445.0000 -239.85567 -232.80232 7.05336 2.45297 -231.77130 655.79838
5450.0000 -239.66729 -230.62725 9.04005 2.45777 -231.67056 670.81716
5455.0000 -241.97709 -233.99054 7.98655 2.45651 -231.69695 679.87309
5460.0000 -240.94049 -231.98603 8.95446 2.38439 -233.20914 656.75308
5465.0000 -241.96021 -233.75701 8.20320 2.41492 -232.56887 691.99094
5470.0000 -239.60449 -232.31843 7.28606 2.43070 -232.23820 680.57108
5475.0000 -241.38009 -232.97723 8.40287 2.40186 -232.84286 655.37923
5480.0000 -241.85007 -232.49659 9.35348 2.41672 -232.53123 684.10648
5485.0000 -239.24844 -231.03858 8.20986 2.44627 -231.91173 680.22908
5490.0000 -240.16904 -230.88835 9.28069 2.47109 -231.39125 679.10156
5495.0000 -241.34068 -232.02122 9.31947 2.48030 -231.19820 678.24885
5500.0000 -238.81322 -230.49705 8.31617 2.45062 -231.82037 671.29281
FREEZING PROCESS: loop number 23 T-loop= 646.00000000000000
main_MD> interactions number 23 at Temperature= 646.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05103 0.42905 1.68874
force_rgl> df(natom) 3.67998 -2.28076 1.27979
5505.0000 -240.01352 -232.00547 8.00806 2.45202 -231.79116 661.50642
5510.0000 -240.19231 -232.89834 7.29397 2.42807 -232.29331 637.62702
5515.0000 -241.86258 -233.17097 8.69160 2.38816 -233.13004 631.29889
5520.0000 -241.56258 -233.31039 8.25219 2.38931 -233.10583 642.52497
5525.0000 -241.40146 -232.73826 8.66320 2.38767 -233.14035 630.21652
5530.0000 -239.00114 -231.53358 7.46755 2.41235 -232.62275 649.92430
5535.0000 -240.15343 -231.87694 8.27649 2.45475 -231.73389 680.74734
5540.0000 -239.14162 -232.41487 6.72676 2.44004 -232.04219 652.40231
5545.0000 -239.87316 -232.00151 7.87164 2.45845 -231.65626 665.90895
5550.0000 -239.87002 -231.48816 8.38186 2.45455 -231.73817 679.10184
5555.0000 -241.33892 -233.36648 7.97244 2.44871 -231.86057 667.42006
5560.0000 -240.62577 -233.51721 7.10855 2.37958 -233.30984 629.11569
5565.0000 -241.66791 -233.62267 8.04524 2.35826 -233.75695 606.05595
5570.0000 -240.03376 -232.18714 7.84662 2.42159 -232.42902 669.64731
5575.0000 -240.14678 -231.32737 8.81941 2.46931 -231.42870 669.46826
5580.0000 -241.80297 -233.87772 7.92525 2.39961 -232.89004 617.63688
5585.0000 -240.64222 -232.93190 7.71032 2.39387 -233.01023 627.47316
5590.0000 -239.29283 -231.33649 7.95635 2.43677 -232.11084 662.70617
5595.0000 -240.56766 -232.90397 7.66370 2.43238 -232.20280 656.22086
5600.0000 -239.90316 -232.37812 7.52504 2.40966 -232.67934 638.19637
5605.0000 -240.06300 -231.66775 8.39525 2.43719 -232.10205 667.42452
5610.0000 -238.82948 -231.08885 7.74063 2.48244 -231.15343 695.42938
5615.0000 -239.45803 -232.38263 7.07540 2.42497 -232.35816 647.56799
5620.0000 -239.78345 -231.86733 7.91612 2.44386 -231.96225 667.46598
5625.0000 -240.35880 -231.80121 8.55759 2.45790 -231.66776 684.65845
5630.0000 -241.63324 -233.26107 8.37217 2.44519 -231.93421 655.61512
5635.0000 -239.25139 -231.66136 7.59003 2.43419 -232.16499 657.60478
5640.0000 -240.50285 -232.69158 7.81127 2.43578 -232.13170 676.39980
5645.0000 -241.56840 -232.51582 9.05257 2.41517 -232.56375 661.15171
5650.0000 -241.06279 -233.55830 7.50449 2.41034 -232.66491 659.66386
5655.0000 -241.37994 -233.98067 7.39927 2.37121 -233.48532 607.31612
5660.0000 -242.34701 -233.89629 8.45071 2.34272 -234.08273 615.85126
5665.0000 -241.23672 -233.20598 8.03074 2.37249 -233.45849 645.53714
5670.0000 -239.77507 -232.04426 7.73081 2.43881 -232.06807 672.73904
5675.0000 -240.08510 -231.58015 8.50494 2.40784 -232.71734 655.64590
5680.0000 -240.76913 -232.54919 8.21994 2.43443 -232.15994 656.85770
5685.0000 -238.84365 -231.40755 7.43609 2.48525 -231.09447 669.87058
5690.0000 -239.74956 -230.87245 8.87712 2.48110 -231.18146 675.50812
5695.0000 -241.32452 -233.52356 7.80096 2.43373 -232.17467 657.67668
5700.0000 -241.97122 -233.79116 8.18006 2.32916 -234.36702 609.33238
5705.0000 -241.18610 -232.31934 8.86676 2.40868 -232.69983 640.93302
5710.0000 -240.41875 -232.35938 8.05937 2.43457 -232.15696 663.14679
5715.0000 -240.91023 -231.64697 9.26326 2.45724 -231.68177 680.96014
5720.0000 -239.99983 -231.37874 8.62109 2.45757 -231.67479 669.58064
5725.0000 -240.01514 -232.62849 7.38665 2.41790 -232.50653 659.90457
5730.0000 -241.75991 -234.06894 7.69097 2.37061 -233.49785 614.02685
5735.0000 -240.89438 -231.96443 8.92995 2.37589 -233.38726 624.24408
5740.0000 -240.92261 -232.92043 8.00217 2.43124 -232.22671 667.97869
5745.0000 -240.27985 -232.93142 7.34843 2.44563 -231.92510 667.84387
5750.0000 -241.44959 -232.92400 8.52559 2.41505 -232.56616 665.75656
FREEZING PROCESS: loop number 24 T-loop= 621.00000000000000
main_MD> interactions number 24 at Temperature= 621.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.58625 -1.53705 -3.97398
force_rgl> df(natom) -0.46225 3.70099 -1.07003
5755.0000 -240.92379 -233.24293 7.68086 2.39474 -232.99203 666.09491
5760.0000 -242.05560 -233.63179 8.42381 2.33422 -234.26089 608.89956
5765.0000 -240.16791 -231.30272 8.86519 2.41308 -232.60750 631.81541
5770.0000 -240.13809 -232.17702 7.96108 2.44628 -231.91136 663.75031
5775.0000 -240.54372 -231.97950 8.56422 2.39776 -232.92878 623.71027
5780.0000 -238.94346 -231.07613 7.86733 2.51169 -230.54018 702.93855
5785.0000 -241.32242 -233.92735 7.39507 2.45868 -231.65149 681.74013
5790.0000 -241.09048 -233.83331 7.25717 2.36809 -233.55086 617.21348
5795.0000 -240.80199 -233.22456 7.57743 2.37126 -233.48426 620.05239
5800.0000 -241.47206 -233.36524 8.10681 2.39920 -232.89851 640.37951
5805.0000 -241.66209 -233.55079 8.11129 2.35784 -233.76561 610.03354
5810.0000 -242.20617 -234.74341 7.46275 2.35484 -233.82866 620.99194
5815.0000 -242.06171 -233.30661 8.75510 2.36053 -233.70927 643.48550
5820.0000 -242.59390 -235.53322 7.06068 2.29885 -235.00237 599.99692
5825.0000 -241.50715 -233.32099 8.18616 2.30534 -234.86632 607.25744
5830.0000 -241.31837 -233.77423 7.54414 2.32192 -234.51868 615.64676
5835.0000 -240.19308 -231.03813 9.15495 2.39544 -232.97745 647.90020
5840.0000 -240.24149 -232.72521 7.51629 2.43483 -232.15153 628.50189
5845.0000 -240.73694 -232.63135 8.10559 2.40601 -232.75577 635.54193
5850.0000 -240.08157 -232.23808 7.84349 2.42058 -232.45023 655.14149
5855.0000 -242.17589 -232.92672 9.24917 2.44101 -232.02201 664.24623
5860.0000 -240.62388 -233.14466 7.47921 2.41863 -232.49126 643.76353
5865.0000 -241.15354 -232.47362 8.67992 2.39032 -233.08464 641.07509
5870.0000 -240.86658 -233.50929 7.35729 2.36337 -233.64973 613.39386
5875.0000 -241.33817 -233.85644 7.48172 2.35879 -233.74584 606.62937
5880.0000 -240.63733 -233.09801 7.53932 2.36410 -233.63447 638.87382
5885.0000 -242.06584 -233.71161 8.35423 2.37620 -233.38085 656.71704
5890.0000 -242.32739 -233.91752 8.40987 2.34569 -234.02035 645.79091
5895.0000 -240.98147 -232.83205 8.14942 2.35374 -233.85168 611.43160
5900.0000 -241.27162 -233.86036 7.41126 2.35546 -233.81566 613.67690
5905.0000 -242.32388 -234.95309 7.37079 2.30580 -234.85676 611.06307
5910.0000 -243.25880 -235.50122 7.75758 2.27166 -235.57244 627.01254
5915.0000 -243.31493 -236.53304 6.78189 2.26856 -235.63758 594.18089
5920.0000 -242.06085 -233.89772 8.16313 2.29498 -235.08370 611.31224
5925.0000 -243.51524 -236.99455 6.52069 2.25365 -235.95013 578.64166
5930.0000 -244.00604 -237.04022 6.96583 2.20206 -237.03178 542.33874
5935.0000 -243.39013 -236.83404 6.55610 2.17105 -237.68197 531.95941
5940.0000 -242.41600 -234.81521 7.60079 2.25706 -235.87865 579.29528
5945.0000 -243.23159 -235.74385 7.48773 2.28764 -235.23756 570.80333
5950.0000 -242.93050 -234.66356 8.26693 2.25714 -235.87700 564.38503
5955.0000 -242.99872 -235.72566 7.27306 2.28952 -235.19802 571.23374
5960.0000 -241.50330 -233.46165 8.04164 2.33290 -234.28857 594.02403
5965.0000 -240.58537 -232.98981 7.59557 2.36884 -233.53503 620.50056
5970.0000 -239.99491 -232.89188 7.10303 2.36229 -233.67231 599.60012
5975.0000 -242.02008 -234.37136 7.64872 2.37833 -233.33619 625.17902
5980.0000 -241.53087 -234.15359 7.37728 2.33698 -234.20299 587.68424
5985.0000 -241.73364 -233.76256 7.97108 2.35124 -233.90413 613.26501
5990.0000 -241.01238 -232.66321 8.34917 2.37555 -233.39446 618.22198
5995.0000 -240.71601 -233.32856 7.38745 2.39013 -233.08869 627.18416
6000.0000 -241.59835 -234.71909 6.87926 2.32807 -234.38985 586.00191
FREEZING PROCESS: loop number 25 T-loop= 596.00000000000000
main_MD> interactions number 25 at Temperature= 596.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51979 2.80180 0.83494
force_rgl> df(natom) -1.24949 0.63992 4.22797
6005.0000 -241.53364 -234.23587 7.29777 2.32225 -234.51193 579.05335
6010.0000 -241.92336 -234.24585 7.67752 2.35803 -233.76168 631.03706
6015.0000 -241.08655 -234.14028 6.94627 2.32843 -234.38233 616.83692
6020.0000 -242.90635 -236.01029 6.89606 2.29986 -234.98132 601.62792
6025.0000 -243.21918 -236.50866 6.71052 2.24771 -236.07476 564.07101
6030.0000 -242.69966 -235.41599 7.28367 2.23744 -236.28991 568.69918
6035.0000 -242.54674 -235.31058 7.23616 2.28986 -235.19089 597.61159
6040.0000 -241.13239 -233.05933 8.07307 2.35593 -233.80565 616.68705
6045.0000 -240.76868 -232.88169 7.88699 2.37082 -233.49360 621.44662
6050.0000 -242.07858 -233.69192 8.38666 2.39286 -233.03138 626.59562
6055.0000 -240.72767 -234.27105 6.45662 2.34573 -234.01954 594.00168
6060.0000 -241.28396 -234.14767 7.13629 2.32955 -234.35892 576.01867
6065.0000 -242.01111 -234.31909 7.69202 2.32570 -234.43956 578.74741
6070.0000 -241.95296 -234.26468 7.68828 2.36701 -233.57336 609.33778
6075.0000 -242.59347 -236.25412 6.33935 2.28609 -235.27003 561.56848
6080.0000 -243.10596 -235.83054 7.27541 2.25425 -235.93760 548.65242
6085.0000 -243.83583 -235.67327 8.16256 2.27799 -235.43982 570.04111
6090.0000 -242.42269 -233.40642 9.01627 2.31508 -234.66227 595.24586
6095.0000 -241.64348 -234.18904 7.45444 2.32844 -234.38206 620.39168
6100.0000 -242.49019 -235.55893 6.93126 2.29786 -235.02322 583.44359
6105.0000 -242.05096 -235.08295 6.96801 2.27887 -235.42134 567.37245
6110.0000 -242.43660 -235.59207 6.84453 2.28949 -235.19862 572.63818
6115.0000 -240.61603 -234.13857 6.47746 2.30483 -234.87704 569.55023
6120.0000 -241.44801 -233.26272 8.18529 2.36464 -233.62311 625.18300
6125.0000 -242.33589 -234.25884 8.07704 2.36019 -233.71643 630.71542
6130.0000 -241.57663 -234.50466 7.07197 2.34025 -234.13447 602.88521
6135.0000 -240.64654 -232.66283 7.98371 2.37052 -233.49985 623.29697
6140.0000 -242.36886 -234.14205 8.22681 2.36980 -233.51489 632.81113
6145.0000 -241.73406 -234.33200 7.40207 2.30578 -234.85725 604.74255
6150.0000 -242.72114 -234.94442 7.77672 2.28753 -235.23988 609.26316
6155.0000 -241.77625 -234.48526 7.29099 2.32352 -234.48522 622.02601
6160.0000 -241.68711 -234.87750 6.80961 2.32000 -234.55913 575.13971
6165.0000 -241.81318 -234.47317 7.34001 2.32206 -234.51579 587.57361
6170.0000 -241.84289 -233.28549 8.55739 2.35215 -233.88502 607.16478
6175.0000 -241.39845 -233.09143 8.30702 2.40159 -232.84834 641.83674
6180.0000 -242.29365 -233.94768 8.34597 2.35625 -233.79913 611.75252
6185.0000 -240.14240 -231.59758 8.54482 2.36834 -233.54555 606.25163
6190.0000 -240.48318 -233.77449 6.70869 2.42693 -232.31717 650.57392
6195.0000 -241.14630 -234.26125 6.88505 2.34603 -234.01339 595.31805
6200.0000 -241.31266 -235.42859 5.88407 2.32090 -234.54010 556.63915
6205.0000 -241.65558 -234.11752 7.53806 2.31485 -234.66707 572.96702
6210.0000 -241.46925 -234.08036 7.38890 2.32977 -234.35420 606.36885
6215.0000 -241.96064 -234.43459 7.52606 2.32406 -234.47400 600.42426
6220.0000 -240.95661 -233.11389 7.84272 2.36870 -233.53796 625.25286
6225.0000 -241.85104 -234.27169 7.57936 2.35376 -233.85129 608.10514
6230.0000 -241.38729 -234.51806 6.86923 2.34489 -234.03713 618.33330
6235.0000 -241.41204 -234.27641 7.13563 2.31542 -234.65510 586.50318
6240.0000 -241.62143 -233.70850 7.91293 2.31773 -234.60667 590.34002
6245.0000 -241.13902 -233.52763 7.61139 2.36457 -233.62469 620.19013
6250.0000 -242.59710 -235.41897 7.17813 2.32619 -234.42922 610.31480
FREEZING PROCESS: loop number 26 T-loop= 571.00000000000000
main_MD> interactions number 26 at Temperature= 571.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35674 -2.11754 1.32289
force_rgl> df(natom) -0.85396 -1.79811 -1.34732
6255.0000 -243.17338 -236.16532 7.00806 2.26529 -235.70605 566.51563
6260.0000 -244.65553 -237.19516 7.46037 2.23658 -236.30798 574.14970
6265.0000 -243.68294 -237.88379 5.79915 2.15876 -237.93952 524.23325
6270.0000 -242.49102 -235.79786 6.69316 2.22465 -236.55816 570.19336
6275.0000 -243.33629 -235.78248 7.55381 2.24302 -236.17307 572.66245
6280.0000 -243.48906 -235.80664 7.68242 2.24396 -236.15324 579.43532
6285.0000 -242.95591 -235.84936 7.10655 2.27456 -235.51179 604.05910
6290.0000 -243.51379 -235.30570 8.20809 2.24254 -236.18304 598.17123
6295.0000 -242.70690 -235.44194 7.26496 2.26612 -235.68872 586.78297
6300.0000 -244.48733 -236.47014 8.01718 2.25517 -235.91833 584.55110
6305.0000 -242.86028 -235.22130 7.63898 2.28583 -235.27543 598.71933
6310.0000 -242.34148 -234.60411 7.73737 2.29412 -235.10162 583.10716
6315.0000 -242.17473 -235.82895 6.34579 2.30235 -234.92905 573.63533
6320.0000 -243.21240 -236.31741 6.89500 2.26054 -235.80574 555.06551
6325.0000 -241.77298 -234.56090 7.21208 2.27876 -235.42361 563.78019
6330.0000 -242.36288 -235.10127 7.26161 2.29626 -235.05677 563.73885
6335.0000 -241.06326 -234.20517 6.85809 2.28354 -235.32353 533.11925
6340.0000 -240.97926 -233.00269 7.97656 2.36381 -233.64050 594.81579
6345.0000 -242.58533 -234.90382 7.68151 2.35290 -233.86922 592.31686
6350.0000 -242.35572 -234.22012 8.13560 2.33892 -234.16234 596.79150
6355.0000 -242.03746 -234.81044 7.22702 2.31444 -234.67569 587.35174
6360.0000 -242.39958 -236.12588 6.27370 2.27028 -235.60157 569.97354
6365.0000 -243.76780 -237.49581 6.27198 2.18960 -237.29303 520.67844
6370.0000 -244.04604 -237.37511 6.67093 2.16105 -237.89154 512.62293
6375.0000 -243.67509 -237.17648 6.49860 2.21305 -236.80137 553.91542
6380.0000 -243.73148 -237.16356 6.56792 2.19187 -237.24531 560.83549
6385.0000 -244.28804 -238.26285 6.02519 2.16041 -237.90500 534.73594
6390.0000 -244.65127 -237.24081 7.41046 2.14264 -238.27759 527.32662
6395.0000 -243.09426 -235.30830 7.78596 2.21595 -236.74064 572.05239
6400.0000 -242.36123 -234.52349 7.83774 2.28696 -235.25178 598.03428
6405.0000 -244.07333 -236.41941 7.65392 2.26787 -235.65199 608.28199
6410.0000 -241.75755 -235.16275 6.59480 2.25014 -236.02373 573.21476
6415.0000 -242.35978 -234.36066 7.99912 2.30948 -234.77968 611.10276
6420.0000 -242.80087 -235.50316 7.29771 2.30535 -234.86627 595.64007
6425.0000 -244.04182 -236.83383 7.20799 2.24769 -236.07506 557.89955
6430.0000 -243.57735 -236.81686 6.76050 2.20923 -236.88147 535.42034
6435.0000 -241.89007 -235.01811 6.87196 2.26339 -235.74598 562.55273
6440.0000 -242.80133 -235.07990 7.72143 2.28991 -235.18985 596.24735
6445.0000 -243.32402 -236.11625 7.20776 2.27690 -235.46264 576.63409
6450.0000 -242.62733 -234.96009 7.66724 2.27641 -235.47301 583.90159
6455.0000 -242.16988 -235.77541 6.39447 2.27519 -235.49852 575.95021
6460.0000 -244.16854 -236.71947 7.44907 2.25920 -235.83384 542.96679
6465.0000 -242.48103 -236.23525 6.24578 2.23628 -236.31422 552.01032
6470.0000 -243.84314 -236.91051 6.93263 2.21726 -236.71313 534.16129
6475.0000 -243.22221 -237.10081 6.12140 2.19746 -237.12829 507.77859
6480.0000 -242.88237 -236.05825 6.82412 2.24219 -236.19035 549.39028
6485.0000 -242.22454 -235.73237 6.49217 2.27498 -235.50296 559.63754
6490.0000 -241.95082 -235.33739 6.61343 2.25819 -235.85494 555.52574
6495.0000 -243.06042 -235.45559 7.60483 2.25854 -235.84770 573.62354
6500.0000 -244.68066 -236.72869 7.95196 2.22969 -236.45255 563.99805
FREEZING PROCESS: loop number 27 T-loop= 546.00000000000000
main_MD> interactions number 27 at Temperature= 546.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36178 0.75324 -0.43809
force_rgl> df(natom) -0.17946 -0.80670 -0.27197
6505.0000 -242.27229 -234.93046 7.34183 2.26076 -235.80107 559.94582
6510.0000 -242.46841 -234.97556 7.49285 2.30656 -234.84086 589.27043
6515.0000 -242.23631 -235.23922 6.99709 2.28667 -235.25785 572.23084
6520.0000 -242.79718 -234.82285 7.97434 2.30487 -234.87621 595.34656
6525.0000 -243.19110 -236.46089 6.73021 2.27083 -235.58994 572.27663
6530.0000 -244.12208 -237.18594 6.93613 2.20684 -236.93153 522.01963
6535.0000 -243.00779 -236.54424 6.46356 2.20338 -237.00412 506.33000
6540.0000 -243.75223 -236.81240 6.93983 2.24143 -236.20639 524.14529
6545.0000 -242.71046 -236.21219 6.49827 2.23342 -236.37417 532.66284
6550.0000 -243.27948 -236.12156 7.15793 2.23563 -236.32793 544.94354
6555.0000 -242.59748 -235.75621 6.84127 2.28038 -235.38965 563.85149
6560.0000 -242.22902 -235.77447 6.45455 2.28282 -235.33849 569.47673
6565.0000 -242.36590 -235.82651 6.53940 2.28966 -235.19512 573.07204
6570.0000 -243.18329 -236.15248 7.03081 2.24095 -236.21644 561.40598
6575.0000 -241.98951 -236.19975 5.78976 2.24030 -236.23007 548.30217
6580.0000 -243.34435 -235.69748 7.64687 2.27222 -235.56089 554.58454
6585.0000 -242.30262 -236.14184 6.16078 2.26286 -235.75706 552.71476
6590.0000 -242.52814 -235.66506 6.86308 2.26180 -235.77927 544.87436
6595.0000 -241.00929 -234.84840 6.16089 2.28634 -235.26476 567.80065
6600.0000 -242.58650 -235.88129 6.70522 2.27711 -235.45825 545.45777
6605.0000 -242.76055 -236.19764 6.56290 2.23584 -236.32345 518.97783
6610.0000 -243.96435 -237.78139 6.18296 2.20661 -236.93627 516.40906
6615.0000 -244.58659 -238.13289 6.45370 2.15440 -238.03105 506.36997
6620.0000 -245.07720 -237.91916 7.15804 2.14391 -238.25101 504.89524
6625.0000 -243.63585 -236.40751 7.22834 2.21268 -236.80911 545.39824
6630.0000 -242.71033 -236.48886 6.22147 2.25885 -235.84110 567.26371
6635.0000 -243.53752 -236.37108 7.16644 2.23841 -236.26966 537.58496
6640.0000 -242.51436 -235.82288 6.69148 2.25976 -235.82208 567.99233
6645.0000 -242.16613 -235.58117 6.58496 2.27955 -235.40701 573.34200
6650.0000 -242.63472 -236.38885 6.24587 2.26337 -235.74634 557.03497
6655.0000 -243.12175 -235.66866 7.45308 2.25039 -236.01854 538.60799
6660.0000 -244.04465 -236.68320 7.36145 2.24089 -236.21758 569.51140
6665.0000 -242.85577 -236.19407 6.66170 2.23412 -236.35958 555.52486
6670.0000 -243.03158 -235.85833 7.17325 2.25315 -235.96069 557.07329
6675.0000 -243.95643 -237.47867 6.47776 2.23200 -236.40394 557.57795
6680.0000 -243.64073 -236.81319 6.82754 2.20420 -236.98696 534.45371
6685.0000 -244.41093 -237.37307 7.03786 2.23490 -236.34331 542.46449
6690.0000 -243.48178 -237.60303 5.87875 2.19632 -237.15204 533.17434
6695.0000 -242.55949 -237.15804 5.40145 2.19014 -237.28169 517.69965
6700.0000 -244.55768 -238.25466 6.30303 2.16093 -237.89411 503.85124
6705.0000 -244.95715 -237.47585 7.48130 2.17788 -237.53881 539.73909
6710.0000 -243.29139 -236.76148 6.52990 2.20775 -236.91256 556.67821
6715.0000 -244.54653 -237.15908 7.38745 2.18891 -237.30753 544.81099
6720.0000 -244.01991 -237.51629 6.50362 2.20280 -237.01626 554.45372
6725.0000 -243.05462 -236.30699 6.74763 2.21067 -236.85116 556.94951
6730.0000 -242.77153 -236.64795 6.12358 2.22430 -236.56547 552.84511
6735.0000 -244.46100 -237.84159 6.61941 2.20547 -236.96020 554.88762
6740.0000 -243.50988 -236.76124 6.74864 2.19348 -237.21175 538.54965
6745.0000 -242.46408 -235.07202 7.39206 2.26165 -235.78233 568.58885
6750.0000 -241.72342 -233.47811 8.24531 2.30195 -234.93744 597.22473
FREEZING PROCESS: loop number 28 T-loop= 521.00000000000000
main_MD> interactions number 28 at Temperature= 521.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.12054 -1.73484 4.90703
force_rgl> df(natom) 3.51756 3.07165 0.77090
6755.0000 -242.18984 -235.85134 6.33850 2.28362 -235.32178 582.22763
6760.0000 -244.45248 -237.45111 7.00137 2.18660 -237.35582 505.90203
6765.0000 -243.93226 -237.73546 6.19680 2.19025 -237.27929 525.33785
6770.0000 -244.05748 -237.59935 6.45813 2.19718 -237.13418 542.33641
6775.0000 -244.04321 -237.77789 6.26532 2.16889 -237.72713 514.30016
6780.0000 -244.00809 -237.52041 6.48768 2.19860 -237.10439 529.04551
6785.0000 -245.35412 -238.79101 6.56311 2.17661 -237.56524 520.97001
6790.0000 -245.14526 -238.26015 6.88511 2.12782 -238.58836 508.68643
6795.0000 -244.67309 -237.96539 6.70771 2.17399 -237.62034 536.25211
6800.0000 -243.33778 -236.83868 6.49910 2.19135 -237.25640 535.30631
6805.0000 -243.11540 -235.97712 7.13828 2.22039 -236.64735 565.24834
6810.0000 -243.79484 -237.24877 6.54607 2.21453 -236.77030 591.27531
6815.0000 -245.57861 -238.48776 7.09084 2.14640 -238.19870 535.61236
6820.0000 -245.17547 -238.07920 7.09627 2.16109 -237.89070 545.07873
6825.0000 -244.56638 -238.71085 5.85553 2.13129 -238.51553 520.47327
6830.0000 -245.09458 -238.45329 6.64129 2.12700 -238.60541 521.70424
6835.0000 -244.12213 -237.02143 7.10070 2.19165 -237.25006 529.79491
6840.0000 -243.87980 -238.22637 5.65343 2.17485 -237.60215 505.19284
6845.0000 -243.50796 -237.38368 6.12428 2.19482 -237.18357 536.67486
6850.0000 -242.83089 -236.70055 6.13033 2.19673 -237.14341 512.96453
6855.0000 -242.79430 -236.59543 6.19888 2.21686 -236.72146 533.70273
6860.0000 -243.25919 -236.35372 6.90546 2.23104 -236.42412 559.09363
6865.0000 -243.16134 -236.96387 6.19746 2.21312 -236.79994 567.74277
6870.0000 -244.51075 -238.71634 5.79442 2.18323 -237.42648 549.92623
6875.0000 -245.06571 -238.60638 6.45932 2.14010 -238.33083 512.75289
6880.0000 -243.74648 -237.32026 6.42622 2.16595 -237.78878 535.81062
6885.0000 -243.69289 -237.04218 6.65071 2.18205 -237.45129 544.25758
6890.0000 -244.73159 -238.63999 6.09160 2.17386 -237.62291 525.29550
6895.0000 -244.55301 -238.66721 5.88579 2.10228 -239.12370 459.74296
6900.0000 -242.45425 -236.24474 6.20952 2.18437 -237.40258 510.92184
6905.0000 -243.85595 -237.70691 6.14904 2.19343 -237.21268 513.50901
6910.0000 -244.45495 -237.60128 6.85367 2.18827 -237.32085 506.07870
6915.0000 -244.46582 -237.96074 6.50508 2.16988 -237.70638 517.99660
6920.0000 -244.37695 -238.18346 6.19349 2.14380 -238.25330 498.44607
6925.0000 -244.36690 -237.93027 6.43663 2.13157 -238.50972 491.29092
6930.0000 -243.67972 -238.08279 5.59693 2.13713 -238.39302 494.42396
6935.0000 -243.70167 -236.78509 6.91658 2.20783 -236.91077 535.94801
6940.0000 -243.05608 -236.45278 6.60330 2.21517 -236.75680 527.30497
6945.0000 -242.43888 -235.37799 7.06088 2.25331 -235.95735 549.46540
6950.0000 -241.54302 -235.34463 6.19839 2.28722 -235.24638 563.28501
6955.0000 -243.65716 -237.02944 6.62771 2.25454 -235.93154 555.08545
6960.0000 -244.85414 -238.33464 6.51950 2.16161 -237.87990 493.71386
6965.0000 -245.05155 -239.01740 6.03414 2.11023 -238.95716 466.93912
6970.0000 -244.14700 -237.66502 6.48199 2.13335 -238.47235 499.42953
6975.0000 -244.27839 -238.71744 5.56095 2.16112 -237.89013 531.06747
6980.0000 -245.41020 -238.99244 6.41777 2.10347 -239.09872 493.50489
6985.0000 -244.27208 -238.22407 6.04801 2.11077 -238.94574 498.05569
6990.0000 -244.82401 -238.24640 6.57761 2.11019 -238.95794 506.97551
6995.0000 -245.45630 -237.71836 7.73793 2.15421 -238.03504 540.14258
7000.0000 -245.65665 -239.51199 6.14466 2.12556 -238.63556 524.54751
FREEZING PROCESS: loop number 29 T-loop= 496.00000000000000
main_MD> interactions number 29 at Temperature= 496.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.22768 1.53304 0.73205
force_rgl> df(natom) 2.51282 0.77826 -1.72837
7005.0000 -246.71696 -240.24486 6.47210 2.07402 -239.71620 494.96069
7010.0000 -245.24445 -238.50157 6.74289 2.08629 -239.45896 510.00856
7015.0000 -246.69948 -240.22153 6.47796 2.06217 -239.96477 495.30905
7020.0000 -246.23040 -239.92038 6.31002 2.02957 -240.64813 477.58100
7025.0000 -245.16583 -239.74873 5.41710 2.08684 -239.44739 516.03199
7030.0000 -246.65077 -240.64906 6.00171 2.04128 -240.40259 477.22090
7035.0000 -246.25188 -239.71448 6.53740 2.06767 -239.84938 497.54172
7040.0000 -247.04893 -241.22477 5.82416 2.05427 -240.13030 484.22230
7045.0000 -246.39298 -240.82164 5.57134 2.00783 -241.10406 447.85898
7050.0000 -245.77240 -239.36034 6.41206 2.02709 -240.70026 462.68843
7055.0000 -245.56555 -240.03526 5.53028 2.07548 -239.68563 496.81375
7060.0000 -245.63261 -239.92852 5.70409 2.05149 -240.18870 489.30192
7065.0000 -246.61265 -240.18857 6.42407 2.05270 -240.16314 493.44290
7070.0000 -246.38875 -239.49744 6.89131 2.06536 -239.89771 508.79991
7075.0000 -246.02383 -240.63275 5.39108 2.04543 -240.31557 490.28147
7080.0000 -246.83625 -240.73648 6.09976 2.03989 -240.43171 493.74995
7085.0000 -246.36094 -240.90318 5.45777 2.00588 -241.14494 465.66316
7090.0000 -246.37806 -240.42902 5.94904 2.04486 -240.32761 498.96250
7095.0000 -245.97212 -239.89364 6.07848 2.03311 -240.57390 483.34543
7100.0000 -246.84261 -241.23616 5.60645 2.04407 -240.34422 497.92111
7105.0000 -246.18569 -240.47190 5.71378 1.98000 -241.68749 446.53357
7110.0000 -246.11117 -240.80045 5.31073 2.01636 -240.92510 476.25931
7115.0000 -246.69455 -240.58214 6.11241 2.01713 -240.90897 476.37190
7120.0000 -246.18260 -239.99637 6.18623 2.04521 -240.32017 496.00551
7125.0000 -246.87718 -240.85523 6.02195 2.05407 -240.13443 499.26284
7130.0000 -246.00481 -240.22889 5.77592 2.05086 -240.20189 501.81927
7135.0000 -246.65914 -240.00748 6.65167 2.07810 -239.63075 513.57382
7140.0000 -246.35317 -240.63412 5.71905 2.06506 -239.90413 511.91021
7145.0000 -246.76307 -240.60029 6.16278 2.03625 -240.50822 490.29380
7150.0000 -246.72889 -241.47161 5.25728 1.99822 -241.30540 455.47978
7155.0000 -246.94653 -242.02859 4.91794 1.97117 -241.87250 430.73695
7160.0000 -245.82574 -239.16411 6.66163 2.03742 -240.48360 486.14880
7165.0000 -247.01617 -241.61415 5.40203 2.04137 -240.40081 479.49266
7170.0000 -246.32592 -240.62191 5.70401 2.00960 -241.06681 458.78782
7175.0000 -246.75976 -239.85986 6.89990 2.05352 -240.14599 500.11595
7180.0000 -246.64723 -239.73690 6.91033 2.05225 -240.17270 493.46972
7185.0000 -245.59962 -239.69379 5.90583 2.07173 -239.76415 513.23077
7190.0000 -246.23632 -240.25258 5.98373 2.06242 -239.95943 500.84065
7195.0000 -245.05235 -238.76740 6.28495 2.10071 -239.15658 520.54299
7200.0000 -246.15172 -238.13085 8.02087 2.12055 -238.74061 530.93624
7205.0000 -245.46081 -239.17845 6.28236 2.14351 -238.25931 533.71739
7210.0000 -247.29011 -241.09358 6.19654 2.02635 -240.71561 460.60276
7215.0000 -247.00245 -241.28505 5.71739 2.04103 -240.40798 477.20324
7220.0000 -246.26762 -240.11808 6.14954 2.02829 -240.67494 460.97845
7225.0000 -245.24337 -239.55922 5.68414 2.06003 -240.00946 470.38465
7230.0000 -246.90019 -240.24817 6.65202 2.09489 -239.27873 508.42755
7235.0000 -246.50582 -240.90524 5.60058 2.04021 -240.42514 470.15294
7240.0000 -246.80074 -240.92797 5.87278 1.99475 -241.37819 440.79178
7245.0000 -245.90872 -239.92209 5.98663 2.06043 -240.00110 488.49228
7250.0000 -245.25035 -239.20335 6.04700 2.07309 -239.73565 514.77798
FREEZING PROCESS: loop number 30 T-loop= 471.00000000000000
main_MD> interactions number 30 at Temperature= 471.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56220 3.60629 0.83200
force_rgl> df(natom) -2.45414 0.23824 1.00014
7255.0000 -246.68002 -241.20375 5.47626 2.04906 -240.23951 491.69904
7260.0000 -246.75268 -241.56872 5.18395 2.01173 -241.02217 468.03195
7265.0000 -245.68113 -240.00635 5.67478 2.01292 -240.99723 461.56283
7270.0000 -247.48682 -241.21913 6.26769 2.02736 -240.69441 467.54804
7275.0000 -246.93857 -241.53061 5.40796 2.00714 -241.11842 462.57877
7280.0000 -247.00329 -240.82737 6.17592 1.99716 -241.32758 446.49628
7285.0000 -246.30118 -240.11134 6.18984 2.06257 -239.95621 494.21245
7290.0000 -246.90850 -241.24560 5.66290 2.03155 -240.60658 474.78170
7295.0000 -246.52096 -240.20268 6.31828 2.04114 -240.40558 488.71538
7300.0000 -246.49127 -240.87392 5.61735 2.02885 -240.66334 474.55548
7305.0000 -246.61219 -240.31676 6.29544 2.02094 -240.82905 467.89878
7310.0000 -246.93630 -240.95786 5.97844 2.02256 -240.79510 467.35218
7315.0000 -246.76246 -240.42258 6.33988 2.04000 -240.42949 490.97594
7320.0000 -246.59154 -241.05276 5.53879 2.00833 -241.09353 467.05987
7325.0000 -246.82590 -239.80772 7.01818 2.04197 -240.38823 488.34387
7330.0000 -245.31477 -239.63349 5.68128 2.05228 -240.17211 500.50299
7335.0000 -247.30158 -241.26054 6.04104 2.03616 -240.51006 484.61420
7340.0000 -246.90614 -240.71623 6.18992 2.01518 -240.94979 470.99958
7345.0000 -246.61491 -241.24794 5.36697 2.00728 -241.11545 466.26357
7350.0000 -245.98795 -240.54971 5.43824 1.99696 -241.33183 451.59346
7355.0000 -245.95536 -240.71844 5.23691 2.04688 -240.28520 480.47273
7360.0000 -246.84747 -240.65869 6.18878 2.01876 -240.87475 460.67764
7365.0000 -246.09679 -241.35429 4.74250 2.01924 -240.86477 465.14515
7370.0000 -247.20285 -240.70957 6.49328 1.99297 -241.41559 453.39856
7375.0000 -246.93929 -241.42328 5.51601 2.03100 -240.61825 487.65655
7380.0000 -246.08901 -239.77762 6.31139 2.02848 -240.67111 470.63030
7385.0000 -246.55303 -240.95303 5.60001 2.05189 -240.18031 496.35907
7390.0000 -246.62513 -240.78667 5.83846 2.01141 -241.02900 471.92799
7395.0000 -246.62151 -240.82646 5.79505 2.03511 -240.53207 488.41304
7400.0000 -247.12232 -241.11743 6.00489 2.01774 -240.89610 476.64127
7405.0000 -246.69410 -241.03279 5.66131 2.01145 -241.02804 466.75311
7410.0000 -246.14918 -240.21328 5.93590 2.02390 -240.76714 476.12972
7415.0000 -246.27061 -240.55330 5.71731 2.05307 -240.15550 495.12893
7420.0000 -247.62345 -241.84153 5.78192 2.01939 -240.86161 469.87266
7425.0000 -246.78070 -241.40955 5.37115 1.99097 -241.45742 447.54913
7430.0000 -247.67851 -242.53005 5.14846 1.98780 -241.52383 435.68533
7435.0000 -246.65489 -240.54845 6.10643 1.96361 -242.03114 421.24495
7440.0000 -245.89241 -239.97729 5.91512 2.05721 -240.06868 497.56037
7445.0000 -247.06166 -241.29398 5.76767 2.03647 -240.50353 489.74988
7450.0000 -246.69540 -241.14613 5.54928 1.98955 -241.48721 458.14430
7455.0000 -247.01591 -241.54729 5.46862 1.99300 -241.41483 450.31369
7460.0000 -246.66766 -240.73521 5.93245 2.00672 -241.12725 460.97088
7465.0000 -246.98927 -241.73311 5.25617 1.98222 -241.64084 428.19286
7470.0000 -247.00304 -241.66164 5.34139 1.96648 -241.97085 433.40802
7475.0000 -247.73281 -241.56826 6.16455 1.96410 -242.02082 436.92598
7480.0000 -246.28759 -240.49060 5.79699 2.03350 -240.56576 490.40141
7485.0000 -246.75768 -241.22244 5.53523 2.02459 -240.75255 478.76392
7490.0000 -247.72045 -241.53583 6.18461 1.98937 -241.49097 455.38928
7495.0000 -245.78273 -239.70856 6.07417 2.01068 -241.04419 470.92328
7500.0000 -246.08091 -239.79136 6.28955 2.05198 -240.17835 487.55294
FREEZING PROCESS: loop number 31 T-loop= 446.00000000000000
main_MD> interactions number 31 at Temperature= 446.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.32725 2.07974 -1.68818
force_rgl> df(natom) 1.47474 -1.87420 3.59729
7505.0000 -247.23918 -241.77258 5.46659 2.01707 -240.91035 474.13983
7510.0000 -247.70029 -241.30781 6.39248 1.99399 -241.39408 457.27785
7515.0000 -247.26626 -241.16983 6.09643 1.98026 -241.68208 445.84957
7520.0000 -247.37192 -241.70521 5.66671 1.98295 -241.62564 448.98182
7525.0000 -247.75933 -241.91560 5.84373 1.97178 -241.85980 439.52091
7530.0000 -247.01153 -241.48864 5.52289 1.97858 -241.71713 446.94897
7535.0000 -246.89239 -241.55986 5.33252 1.99283 -241.41842 457.24242
7540.0000 -247.03545 -241.61478 5.42067 1.98205 -241.64448 439.76934
7545.0000 -247.28630 -242.52746 4.75884 1.93612 -242.60754 407.68511
7550.0000 -247.71246 -241.92056 5.79190 1.97109 -241.87419 430.40763
7555.0000 -247.83298 -242.19642 5.63656 1.95545 -242.20210 417.91395
7560.0000 -247.80243 -241.91766 5.88477 1.97173 -241.86088 440.27029
7565.0000 -247.45294 -241.97554 5.47740 1.97452 -241.80227 437.31825
7570.0000 -246.66981 -241.31235 5.35746 1.97049 -241.88684 440.36116
7575.0000 -246.99411 -241.70954 5.28457 2.00912 -241.07683 478.75344
7580.0000 -246.90739 -241.80628 5.10111 1.97795 -241.73040 448.01935
7585.0000 -246.72322 -240.43081 6.29241 2.01082 -241.04132 465.70768
7590.0000 -246.81906 -241.91663 4.90243 1.99073 -241.46252 447.35745
7595.0000 -247.99564 -242.81722 5.17842 1.95032 -242.30980 417.31407
7600.0000 -246.61793 -240.99025 5.62767 1.96047 -242.09694 416.75616
7605.0000 -247.93437 -242.60713 5.32723 1.97508 -241.79066 441.51224
7610.0000 -247.30454 -241.82807 5.47646 1.94642 -242.39140 420.50392
7615.0000 -247.80029 -242.24397 5.55632 1.95777 -242.15345 431.69522
7620.0000 -246.77939 -241.84054 4.93884 1.95652 -242.17964 431.23370
7625.0000 -246.82073 -241.84136 4.97938 1.94955 -242.32579 412.84878
7630.0000 -247.59576 -242.70332 4.89245 1.95368 -242.23920 418.02505
7635.0000 -247.34379 -242.37233 4.97147 1.96166 -242.07206 425.99412
7640.0000 -247.53320 -242.53626 4.99694 1.92945 -242.74728 400.21167
7645.0000 -247.76286 -242.99964 4.76323 1.94925 -242.33222 417.99124
7650.0000 -248.21560 -243.35555 4.86005 1.93317 -242.66936 412.46314
7655.0000 -247.19799 -241.66973 5.52827 1.96577 -241.98576 436.38708
7660.0000 -247.06099 -241.14766 5.91333 1.98969 -241.48428 453.20911
7665.0000 -246.84783 -240.94676 5.90108 2.02157 -240.81597 476.96553
7670.0000 -247.40657 -241.78895 5.61762 2.00505 -241.16217 472.82300
7675.0000 -246.12723 -240.75276 5.37447 1.99453 -241.38274 456.32415
7680.0000 -248.04019 -242.99311 5.04708 1.95809 -242.14683 431.08617
7685.0000 -248.09399 -243.08417 5.00983 1.91842 -242.97850 403.31423
7690.0000 -246.61228 -241.91654 4.69574 1.94275 -242.46843 417.44039
7695.0000 -247.15292 -242.60282 4.55010 1.94569 -242.40689 418.76313
7700.0000 -247.22310 -241.80262 5.42048 1.94672 -242.38514 425.23535
7705.0000 -247.78831 -241.89597 5.89234 1.96392 -242.02453 432.71459
7710.0000 -247.05149 -241.55682 5.49468 1.98820 -241.51557 460.17177
7715.0000 -247.54055 -242.27715 5.26340 1.94932 -242.33078 420.36488
7720.0000 -246.58153 -240.93287 5.64867 1.99899 -241.28928 459.75865
7725.0000 -247.10119 -240.85679 6.24440 2.03725 -240.48707 487.46942
7730.0000 -247.11798 -240.94973 6.16825 1.99796 -241.31083 458.77319
7735.0000 -247.54074 -242.18389 5.35685 1.97353 -241.82304 445.20179
7740.0000 -246.98378 -241.43168 5.55210 1.97296 -241.83500 451.58524
7745.0000 -247.32025 -241.82621 5.49404 1.98940 -241.49048 452.29045
7750.0000 -247.21487 -241.70027 5.51460 1.97784 -241.73283 447.58719
FREEZING PROCESS: loop number 32 T-loop= 421.00000000000000
main_MD> interactions number 32 at Temperature= 421.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.32854 -1.24253 -0.15013
force_rgl> df(natom) -2.44160 -0.81661 -1.70793
7755.0000 -248.28287 -242.85236 5.43051 1.92536 -242.83308 406.68762
7760.0000 -247.35570 -242.25049 5.10521 1.93116 -242.71138 410.91606
7765.0000 -248.16411 -242.44695 5.71716 1.92935 -242.74946 410.44133
7770.0000 -247.40571 -242.04345 5.36226 1.96758 -241.94786 426.63858
7775.0000 -247.11531 -241.81276 5.30255 1.95109 -242.29349 425.01096
7780.0000 -247.03008 -241.47613 5.55394 1.99371 -241.40009 456.89652
7785.0000 -247.29396 -241.46527 5.82868 1.98250 -241.63507 439.95493
7790.0000 -247.34324 -241.53734 5.80590 1.97181 -241.85909 436.48132
7795.0000 -247.18884 -241.80745 5.38139 1.98495 -241.58367 448.14064
7800.0000 -248.58020 -243.47153 5.10867 1.91762 -242.99521 403.32331
7805.0000 -248.00199 -243.06377 4.93823 1.91894 -242.96761 401.59288
7810.0000 -247.33701 -241.89668 5.44034 1.92959 -242.74431 410.30214
7815.0000 -247.37252 -242.52866 4.84386 1.95062 -242.30347 425.14817
7820.0000 -247.11690 -242.06142 5.05548 1.94485 -242.42432 420.87005
7825.0000 -248.11138 -241.77480 6.33658 1.94154 -242.49375 416.88700
7830.0000 -247.71212 -242.99027 4.72185 1.96091 -242.08762 427.63628
7835.0000 -247.69125 -243.09145 4.59980 1.92276 -242.88753 403.72909
7840.0000 -248.25874 -244.27095 3.98779 1.90502 -243.25938 389.35651
7845.0000 -247.80545 -243.19639 4.60906 1.89410 -243.48847 378.59576
7850.0000 -248.54540 -243.32921 5.21619 1.91250 -243.10260 397.78629
7855.0000 -247.61650 -242.69422 4.92228 1.93783 -242.57159 418.80524
7860.0000 -248.62148 -243.27265 5.34882 1.91200 -243.11324 392.18667
7865.0000 -247.86297 -242.65432 5.20864 1.93089 -242.71713 410.24657
7870.0000 -247.43382 -242.49096 4.94286 1.90880 -243.18015 393.18126
7875.0000 -247.26785 -242.31071 4.95714 1.96539 -241.99383 437.02947
7880.0000 -247.52710 -242.34279 5.18431 1.93627 -242.60428 416.05196
7885.0000 -248.40039 -243.62688 4.77350 1.91758 -242.99605 403.95740
7890.0000 -248.02109 -242.53599 5.48510 1.91191 -243.11498 398.67038
7895.0000 -247.96077 -242.40981 5.55097 1.93885 -242.55020 421.03337
7900.0000 -248.31866 -242.85032 5.46835 1.94517 -242.41765 422.23026
7905.0000 -247.37862 -242.09323 5.28539 1.94475 -242.42661 418.22323
7910.0000 -247.48771 -242.02729 5.46043 1.96748 -241.94985 438.92669
7915.0000 -247.27001 -242.09361 5.17640 1.95777 -242.15344 429.19495
7920.0000 -247.32828 -242.41269 4.91558 1.97592 -241.77306 444.18309
7925.0000 -247.60093 -242.35746 5.24347 1.94578 -242.40483 415.45989
7930.0000 -248.13843 -242.64159 5.49684 1.93657 -242.59800 416.96293
7935.0000 -247.44998 -241.91955 5.53043 1.95210 -242.27239 422.36535
7940.0000 -247.67301 -243.25093 4.42207 1.93996 -242.52700 419.17246
7945.0000 -247.34921 -242.41460 4.93461 1.94994 -242.31776 418.77046
7950.0000 -246.34995 -241.20090 5.14905 1.99281 -241.41892 451.60556
7955.0000 -247.05793 -241.77987 5.27806 1.99782 -241.31392 461.99653
7960.0000 -247.57519 -242.95428 4.62091 1.96410 -242.02088 437.71767
7965.0000 -248.23425 -243.15978 5.07447 1.90401 -243.28057 392.56214
7970.0000 -248.50249 -242.14236 6.36014 1.93020 -242.73153 416.40042
7975.0000 -247.28318 -241.71078 5.57240 1.98283 -241.62804 446.68599
7980.0000 -247.28952 -242.33847 4.95105 1.95614 -242.18765 429.97365
7985.0000 -247.37335 -241.41213 5.96122 1.94783 -242.36190 422.65227
7990.0000 -247.65988 -242.81255 4.84733 1.95400 -242.23258 425.49487
7995.0000 -247.38580 -242.34352 5.04229 1.94807 -242.35684 422.83313
8000.0000 -247.26408 -241.90008 5.36400 1.95750 -242.15914 432.89013
FREEZING PROCESS: loop number 33 T-loop= 396.00000000000000
main_MD> interactions number 33 at Temperature= 396.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.68131 -1.28577 1.37813
force_rgl> df(natom) 0.40981 -1.70692 -0.87763
8005.0000 -248.24833 -242.97621 5.27212 1.94569 -242.40678 432.08033
8010.0000 -248.16304 -243.42065 4.74239 1.91021 -243.15074 407.58034
8015.0000 -247.24652 -241.91341 5.33311 1.93599 -242.61017 424.61438
8020.0000 -248.97648 -243.81639 5.16009 1.92160 -242.91193 414.59065
8025.0000 -248.91179 -244.38377 4.52802 1.86648 -244.06761 371.27667
8030.0000 -248.99637 -244.15415 4.84222 1.87960 -243.79234 381.37742
8035.0000 -248.37066 -243.02002 5.35064 1.88123 -243.75817 384.36280
8040.0000 -248.20888 -242.74069 5.46818 1.90904 -243.17528 407.93966
8045.0000 -248.10260 -242.53948 5.56312 1.93116 -242.71142 421.52347
8050.0000 -248.39611 -243.17527 5.22084 1.90258 -243.31055 399.23359
8055.0000 -248.76464 -243.95959 4.80506 1.88754 -243.62606 390.88236
8060.0000 -248.23700 -243.89437 4.34263 1.89038 -243.56646 389.94733
8065.0000 -249.12671 -244.84209 4.28462 1.85748 -244.25616 365.28403
8070.0000 -248.24287 -243.83259 4.41028 1.85556 -244.29654 364.24972
8075.0000 -247.44442 -242.58301 4.86141 1.89592 -243.45034 393.11778
8080.0000 -248.33033 -243.51225 4.81808 1.92528 -242.83470 424.42666
8085.0000 -248.74604 -243.39765 5.34840 1.89513 -243.46688 395.21560
8090.0000 -248.13555 -243.43018 4.70537 1.90932 -243.16932 402.92589
8095.0000 -248.88520 -244.07264 4.81256 1.89644 -243.43943 394.45464
8100.0000 -247.22921 -243.61323 3.61598 1.87272 -243.93661 374.10074
8105.0000 -248.60055 -243.68132 4.91924 1.88528 -243.67339 390.43972
8110.0000 -248.14093 -243.44470 4.69624 1.88841 -243.60768 389.68842
8115.0000 -248.30961 -242.83233 5.47728 1.92471 -242.84669 415.69054
8120.0000 -248.18978 -243.29965 4.89013 1.90948 -243.16606 407.01693
8125.0000 -248.43915 -243.40933 5.02982 1.88774 -243.62172 388.63553
8130.0000 -248.35764 -243.28736 5.07028 1.90298 -243.30236 400.16388
8135.0000 -248.91167 -243.75010 5.16158 1.88426 -243.69475 386.08882
8140.0000 -248.65878 -243.77287 4.88592 1.87457 -243.89796 376.83205
8145.0000 -248.62697 -243.69557 4.93140 1.86982 -243.99746 374.46540
8150.0000 -247.83703 -242.33944 5.49759 1.90499 -243.26018 402.04738
8155.0000 -248.39602 -243.17019 5.22583 1.91906 -242.96515 410.63868
8160.0000 -249.02137 -244.14654 4.87483 1.88156 -243.75140 384.57012
8165.0000 -248.25544 -242.74455 5.51089 1.90653 -243.22785 402.92629
8170.0000 -248.68514 -243.58807 5.09707 1.93991 -242.52805 430.39196
8175.0000 -248.63032 -243.19415 5.43617 1.87681 -243.85098 379.26063
8180.0000 -247.91224 -242.39571 5.51653 1.94261 -242.47129 432.56991
8185.0000 -247.55279 -242.34419 5.20860 1.94630 -242.39401 434.24836
8190.0000 -248.67085 -244.01131 4.65953 1.90007 -243.36328 396.08215
8195.0000 -247.64507 -243.14874 4.49634 1.89338 -243.50355 393.23019
8200.0000 -248.19245 -242.87458 5.31786 1.91815 -242.98423 413.24918
8205.0000 -248.33651 -243.89883 4.43768 1.89020 -243.57020 388.80997
8210.0000 -248.63646 -243.50926 5.12720 1.87913 -243.80236 380.63517
8215.0000 -248.57103 -244.17854 4.39249 1.85797 -244.24599 365.03529
8220.0000 -247.56900 -242.72958 4.83942 1.89080 -243.55763 391.99649
8225.0000 -247.75194 -242.85628 4.89567 1.91243 -243.10420 405.85360
8230.0000 -247.73603 -242.76031 4.97572 1.92973 -242.74135 419.52240
8235.0000 -248.03672 -243.07324 4.96349 1.93364 -242.65942 422.30877
8240.0000 -248.84406 -243.77302 5.07104 1.89915 -243.38265 396.87629
8245.0000 -248.16097 -243.35303 4.80794 1.88343 -243.71220 389.14952
8250.0000 -248.41559 -242.84909 5.56650 1.92528 -242.83474 418.72033
FREEZING PROCESS: loop number 34 T-loop= 371.00000000000000
main_MD> interactions number 34 at Temperature= 371.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60836 0.01378 -0.10149
force_rgl> df(natom) 1.05185 0.96475 3.61491
8255.0000 -248.26872 -243.78212 4.48660 1.88395 -243.70114 386.70965
8260.0000 -248.67916 -244.78929 3.88986 1.86460 -244.10683 372.40595
8265.0000 -248.84344 -244.03184 4.81161 1.84304 -244.55899 353.62043
8270.0000 -248.55356 -244.70812 3.84545 1.85266 -244.35734 359.26717
8275.0000 -248.46780 -243.79412 4.67368 1.85812 -244.24281 364.25829
8280.0000 -248.21749 -243.49823 4.71926 1.89123 -243.54869 389.14616
8285.0000 -248.43405 -243.80513 4.62892 1.87831 -243.81947 382.01608
8290.0000 -248.46418 -244.18279 4.28139 1.87130 -243.96644 374.86101
8295.0000 -248.74397 -244.25208 4.49190 1.85814 -244.24246 366.69781
8300.0000 -248.44729 -243.87376 4.57353 1.86179 -244.16584 369.16909
8305.0000 -248.82423 -244.37705 4.44718 1.86140 -244.17401 368.66711
8310.0000 -248.74489 -244.47640 4.26850 1.86822 -244.03109 372.77139
8315.0000 -248.10114 -244.03036 4.07078 1.85153 -244.38099 359.59797
8320.0000 -248.55610 -244.27151 4.28460 1.86263 -244.14816 369.53062
8325.0000 -248.94255 -244.40896 4.53359 1.85289 -244.35237 360.29777
8330.0000 -248.84590 -244.43274 4.41316 1.85536 -244.30060 359.71408
8335.0000 -248.51784 -243.99502 4.52282 1.84066 -244.60884 353.00935
8340.0000 -248.51739 -242.88138 5.63601 1.88305 -243.72011 383.85481
8345.0000 -248.71884 -243.92154 4.79731 1.87765 -243.83332 387.41685
8350.0000 -247.95897 -243.38858 4.57038 1.88490 -243.68134 385.67579
8355.0000 -248.76702 -244.27435 4.49267 1.87509 -243.88700 376.93151
8360.0000 -248.68299 -243.98841 4.69458 1.84499 -244.51809 356.79658
8365.0000 -248.27395 -244.19374 4.08021 1.87522 -243.88434 380.40945
8370.0000 -248.20352 -243.43902 4.76450 1.85819 -244.24138 365.45467
8375.0000 -249.25124 -245.01807 4.23318 1.84638 -244.48893 357.57373
8380.0000 -249.25391 -244.96229 4.29162 1.82391 -244.95995 337.41312
8385.0000 -249.46753 -244.70240 4.76513 1.83254 -244.77913 343.72804
8390.0000 -249.05803 -244.86986 4.18817 1.83015 -244.82921 345.60449
8395.0000 -249.06514 -245.05329 4.01184 1.83471 -244.73370 347.51137
8400.0000 -248.90569 -244.20754 4.69815 1.86179 -244.16580 369.44543
8405.0000 -248.47875 -243.80081 4.67794 1.85918 -244.22051 367.04217
8410.0000 -248.86052 -244.34335 4.51717 1.87505 -243.88788 374.15320
8415.0000 -249.02963 -244.36322 4.66640 1.85270 -244.35639 361.50923
8420.0000 -248.21020 -243.87303 4.33717 1.86244 -244.15226 367.92450
8425.0000 -248.35069 -243.24232 5.10837 1.90069 -243.35018 398.21790
8430.0000 -248.56584 -243.80176 4.76409 1.89764 -243.41415 395.15089
8435.0000 -248.13454 -244.12790 4.00664 1.87991 -243.78599 380.28766
8440.0000 -249.18056 -245.01865 4.16190 1.85480 -244.31233 363.71526
8445.0000 -248.88396 -244.10558 4.77838 1.84531 -244.51142 354.90953
8450.0000 -248.54656 -244.34914 4.19743 1.86296 -244.14139 369.35580
8455.0000 -248.50004 -244.01976 4.48028 1.87345 -243.92128 382.18563
8460.0000 -248.76820 -244.57843 4.18977 1.85502 -244.30788 361.53561
8465.0000 -248.14661 -243.28772 4.85889 1.87583 -243.87156 380.51595
8470.0000 -248.21192 -243.86572 4.34620 1.87397 -243.91038 377.93468
8475.0000 -248.12740 -243.76157 4.36583 1.86591 -244.07951 375.28345
8480.0000 -248.57041 -244.10432 4.46608 1.87746 -243.83733 382.21399
8485.0000 -248.79259 -244.55411 4.23848 1.85894 -244.22562 363.10741
8490.0000 -248.98805 -244.35310 4.63494 1.83415 -244.74537 346.79754
8495.0000 -248.96459 -244.52574 4.43885 1.85837 -244.23760 366.81247
8500.0000 -248.62245 -243.52783 5.09463 1.86850 -244.02522 374.10641
FREEZING PROCESS: loop number 35 T-loop= 346.00000000000000
main_MD> interactions number 35 at Temperature= 346.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40954 -1.33626 0.75606
force_rgl> df(natom) 1.90163 -0.66426 -1.97007
8505.0000 -248.65455 -244.26618 4.38837 1.88004 -243.78313 381.27520
8510.0000 -247.90539 -243.50423 4.40116 1.87212 -243.94931 373.05681
8515.0000 -248.18149 -243.94887 4.23262 1.86100 -244.18246 364.60142
8520.0000 -248.93538 -245.03787 3.89752 1.84782 -244.45878 358.56127
8525.0000 -249.35339 -245.49728 3.85611 1.80000 -245.46133 318.01155
8530.0000 -249.25328 -245.07063 4.18265 1.81010 -245.24958 325.29950
8535.0000 -248.64030 -244.38386 4.25644 1.83100 -244.81138 343.25174
8540.0000 -249.06333 -245.07096 3.99237 1.82554 -244.92579 340.01645
8545.0000 -248.79701 -244.14248 4.65453 1.85156 -244.38035 359.42792
8550.0000 -249.16975 -244.59499 4.57477 1.85012 -244.41061 360.20874
8555.0000 -248.86803 -244.26566 4.60237 1.86307 -244.13910 367.74105
8560.0000 -249.23915 -245.30088 3.93827 1.83842 -244.65586 350.68605
8565.0000 -249.88678 -245.48964 4.39714 1.80878 -245.27714 327.69885
8570.0000 -249.35767 -245.10278 4.25489 1.79157 -245.63806 316.87402
8575.0000 -248.93046 -244.99913 3.93133 1.81581 -245.12982 331.77133
8580.0000 -249.09650 -244.57566 4.52084 1.82445 -244.94871 338.35863
8585.0000 -248.35567 -244.24868 4.10699 1.84210 -244.57872 352.64056
8590.0000 -249.02979 -244.79230 4.23749 1.83886 -244.64656 350.48154
8595.0000 -248.78377 -244.65070 4.13308 1.81941 -245.05446 333.68549
8600.0000 -249.18163 -244.72799 4.45363 1.82844 -244.86508 341.28160
8605.0000 -249.41953 -245.07420 4.34533 1.81173 -245.21538 329.55641
8610.0000 -249.85050 -245.75874 4.09176 1.79787 -245.50604 317.53946
8615.0000 -249.05435 -244.68440 4.36995 1.81612 -245.12331 331.66800
8620.0000 -249.10259 -245.46715 3.63544 1.81943 -245.05399 332.33163
8625.0000 -249.45775 -245.11368 4.34407 1.81562 -245.13376 332.83431
8630.0000 -249.33798 -244.99959 4.33839 1.82281 -244.98312 338.26202
8635.0000 -249.07476 -245.05132 4.02345 1.82648 -244.90622 339.82239
8640.0000 -248.96874 -245.12957 3.83917 1.81053 -245.24055 328.70768
8645.0000 -249.04835 -244.96469 4.08365 1.82150 -245.01062 334.59866
8650.0000 -248.46520 -244.16975 4.29545 1.83455 -244.73703 346.34113
8655.0000 -249.12206 -244.88264 4.23943 1.83696 -244.68636 352.22947
8660.0000 -249.16392 -244.62183 4.54209 1.82072 -245.02685 333.35500
8665.0000 -248.60060 -244.31750 4.28310 1.84952 -244.42300 359.08008
8670.0000 -248.95079 -244.28127 4.66952 1.86554 -244.08725 371.76262
8675.0000 -248.53096 -244.04124 4.48971 1.86665 -244.06398 372.71934
8680.0000 -249.56470 -245.40062 4.16408 1.81369 -245.17434 331.47162
8685.0000 -249.13988 -244.98941 4.15047 1.80407 -245.37596 322.31951
8690.0000 -249.21301 -245.27280 3.94021 1.80335 -245.39102 323.70393
8695.0000 -248.89740 -244.82664 4.07076 1.80894 -245.27385 325.49705
8700.0000 -248.98867 -244.34490 4.64377 1.84113 -244.59901 352.59704
8705.0000 -248.91887 -244.49746 4.42140 1.84844 -244.44579 359.98180
8710.0000 -247.79728 -243.61328 4.18401 1.84107 -244.60036 351.91257
8715.0000 -249.10551 -244.28630 4.81921 1.85087 -244.39488 358.95619
8720.0000 -249.78397 -245.62619 4.15778 1.82890 -244.85535 342.86807
8725.0000 -249.33292 -245.38984 3.94308 1.79467 -245.57310 316.88946
8730.0000 -249.27880 -245.71323 3.56557 1.79238 -245.62107 314.01252
8735.0000 -249.33944 -244.87534 4.46410 1.81332 -245.18214 331.96689
8740.0000 -248.54053 -244.41423 4.12630 1.82950 -244.84274 342.63627
8745.0000 -249.12225 -244.42843 4.69382 1.84368 -244.54547 351.58468
8750.0000 -248.45174 -244.02723 4.42451 1.84958 -244.42181 356.81844
FREEZING PROCESS: loop number 36 T-loop= 321.00000000000000
main_MD> interactions number 36 at Temperature= 321.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21285 -3.40782 -1.05391
force_rgl> df(natom) 0.94033 1.60834 -0.03652
8755.0000 -248.79584 -244.14027 4.65557 1.86583 -244.08105 371.65339
8760.0000 -249.32116 -245.40163 3.91954 1.82490 -244.93920 339.43239
8765.0000 -249.07820 -245.32522 3.75299 1.79702 -245.52390 314.62215
8770.0000 -249.56889 -245.37021 4.19868 1.79765 -245.51054 317.06233
8775.0000 -249.65390 -245.48960 4.16430 1.78590 -245.75703 306.50285
8780.0000 -249.32760 -245.27406 4.05354 1.79581 -245.54909 317.24721
8785.0000 -249.48015 -245.25245 4.22770 1.81599 -245.12614 333.56013
8790.0000 -249.91425 -245.56784 4.34641 1.80674 -245.31992 326.55957
8795.0000 -249.70465 -246.29568 3.40897 1.78339 -245.80963 306.12558
8800.0000 -249.32259 -245.32374 3.99885 1.78265 -245.82517 307.33138
8805.0000 -249.27182 -245.53190 3.73992 1.81172 -245.21569 325.91376
8810.0000 -248.69762 -244.87863 3.81900 1.82155 -245.00957 337.07463
8815.0000 -249.65360 -245.57907 4.07453 1.81341 -245.18018 329.98522
8820.0000 -249.85348 -245.86751 3.98597 1.79019 -245.66703 314.33098
8825.0000 -249.36055 -245.42395 3.93660 1.79383 -245.59060 317.02805
8830.0000 -249.17306 -244.76196 4.41110 1.80489 -245.35874 327.69619
8835.0000 -249.09422 -245.18758 3.90664 1.82523 -244.93229 342.23785
8840.0000 -249.30084 -245.37257 3.92827 1.81750 -245.09437 333.44353
8845.0000 -249.48203 -245.83581 3.64622 1.79816 -245.49985 317.56484
8850.0000 -249.68635 -245.60452 4.08183 1.79731 -245.51775 319.42973
8855.0000 -249.28863 -246.01145 3.27718 1.79056 -245.65917 312.46316
8860.0000 -249.52650 -245.34409 4.18242 1.79670 -245.53060 316.90847
8865.0000 -249.05123 -245.33079 3.72044 1.80802 -245.29322 325.92811
8870.0000 -249.23973 -245.28594 3.95380 1.78875 -245.69710 309.69616
8875.0000 -249.58434 -245.81276 3.77158 1.78308 -245.81615 307.24744
8880.0000 -249.68562 -245.54943 4.13619 1.79315 -245.60501 313.73876
8885.0000 -249.25444 -245.08387 4.17057 1.81140 -245.22235 328.64589
8890.0000 -249.37273 -244.88191 4.49082 1.82302 -244.97871 336.92276
8895.0000 -248.92506 -244.75729 4.16777 1.83329 -244.76344 345.83298
8900.0000 -249.10059 -245.45404 3.64655 1.81799 -245.08418 335.24109
8905.0000 -249.62688 -245.64802 3.97886 1.79594 -245.54637 316.98424
8910.0000 -249.75343 -245.91632 3.83711 1.77797 -245.92329 303.32218
8915.0000 -249.45905 -245.04048 4.41856 1.79621 -245.54068 319.48031
8920.0000 -249.73418 -245.55468 4.17950 1.81767 -245.09078 336.91810
8925.0000 -249.69609 -245.56901 4.12709 1.80401 -245.37720 325.68449
8930.0000 -249.49246 -246.28615 3.20631 1.80222 -245.41468 323.76618
8935.0000 -249.82352 -246.29161 3.53191 1.76339 -246.22882 290.36379
8940.0000 -249.35635 -245.60418 3.75217 1.77538 -245.97744 301.93917
8945.0000 -249.94922 -244.93291 5.01631 1.79643 -245.53616 318.26506
8950.0000 -248.96968 -244.58532 4.38436 1.82159 -245.00859 336.64162
8955.0000 -249.92970 -245.83484 4.09487 1.81860 -245.07136 334.86381
8960.0000 -249.29793 -245.87329 3.42464 1.78509 -245.77382 308.37686
8965.0000 -249.80927 -246.04301 3.76625 1.77729 -245.93740 302.02914
8970.0000 -249.49000 -245.82338 3.66663 1.78647 -245.74489 308.03805
8975.0000 -249.89061 -246.27495 3.61566 1.78219 -245.83482 305.70172
8980.0000 -249.50081 -245.66457 3.83623 1.78731 -245.72743 307.82364
8985.0000 -249.52300 -245.36834 4.15466 1.80129 -245.43434 322.41481
8990.0000 -248.92283 -244.81573 4.10711 1.80541 -245.34785 321.57895
8995.0000 -249.08925 -245.13523 3.95402 1.80685 -245.31779 324.17472
9000.0000 -249.45950 -245.43926 4.02024 1.79895 -245.48339 318.68861
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 36.5654792 [s].
main_MD> Deallocating global variables
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