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nanoparticlesims/growth_Melting_Silver_ICO_3269/freezeSims/run_65/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_65.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 = 65 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 65 6500
main_MD> Size of nv and nvoiz: 65 6500
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 = 65
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> 3.5513326782196611E-002 -3.9051436608165839E-002 4.2787517060697028E-002 initial drift of cluster / NP1 for coalescence
init> 0.27878125013967370 0.30934586434515410 0.29751268732097480 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7883255147221676E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.42584 -0.74449 0.82022
force_rgl> df(natom) 5.36545 1.42496 -6.89389
preparo> THERMALIZATION PROCESS AT 1241.1527716679113
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -144.40281569768800 7.7740190459724623 -152.17683474366046 6.2367784933457673E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 37
FREEZING PROCESS: loop number 1 T-loop= 1220.0000000000000
main_MD> interactions number 1 at Temperature= 1220.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.96998 -5.90267 -8.05190
force_rgl> df(natom) 0.41765 0.47766 -0.09636
5.0000 -152.85417 -142.00374 10.85043 2.98760 -143.45170 1133.94310
10.0000 -152.32228 -143.02250 9.29977 3.07179 -142.09064 1213.69065
15.0000 -153.30907 -142.88123 10.42784 3.05938 -142.29129 1197.17725
20.0000 -151.83019 -141.66711 10.16308 3.08640 -141.85459 1199.20998
25.0000 -151.36153 -140.36649 10.99504 3.13553 -141.06034 1231.42013
30.0000 -152.40001 -141.34998 11.05002 3.12753 -141.18956 1263.99494
35.0000 -151.96987 -142.34683 9.62304 3.15825 -140.69303 1236.98135
40.0000 -151.41982 -143.73311 7.68672 2.99904 -143.26675 1135.39366
45.0000 -151.27818 -140.27526 11.00292 3.07046 -142.11227 1158.96400
50.0000 -152.16112 -143.23262 8.92850 3.10797 -141.50575 1225.48944
55.0000 -151.74360 -141.87306 9.87054 3.03903 -142.62028 1186.08842
60.0000 -151.71456 -142.51307 9.20149 3.05770 -142.31846 1215.66984
65.0000 -152.37611 -142.31830 10.05781 3.10673 -141.52579 1229.36740
70.0000 -151.18183 -141.73143 9.45040 3.01337 -143.03517 1159.00147
75.0000 -154.75000 -145.10504 9.64496 3.01262 -143.04732 1118.17313
80.0000 -152.47248 -143.86730 8.60517 2.92821 -144.41194 1069.20729
85.0000 -151.65766 -142.77812 8.87954 2.98098 -143.55880 1151.12123
90.0000 -151.92268 -141.83689 10.08579 3.06981 -142.12270 1174.01104
95.0000 -151.97463 -143.51138 8.46326 3.07146 -142.09611 1194.58796
100.0000 -150.84559 -139.67956 11.16602 3.11978 -141.31496 1228.93080
105.0000 -151.29249 -137.89096 13.40154 3.30142 -138.37854 1331.86958
110.0000 -149.63359 -140.14426 9.48933 3.26231 -139.01070 1355.53546
115.0000 -153.20480 -142.16938 11.03542 3.14834 -140.85317 1230.14889
120.0000 -151.77359 -140.99911 10.77448 3.07529 -142.03414 1240.76649
125.0000 -150.42496 -138.42281 12.00216 3.20238 -139.97964 1304.01722
130.0000 -152.68309 -143.78922 8.89387 3.18124 -140.32140 1337.97439
135.0000 -151.13823 -143.01235 8.12588 2.98023 -143.57090 1126.31083
140.0000 -152.52353 -142.69245 9.83108 3.01682 -142.97944 1154.07507
145.0000 -153.21455 -142.66145 10.55310 3.02439 -142.85707 1175.29693
150.0000 -151.35048 -141.44548 9.90500 3.05137 -142.42076 1197.35722
155.0000 -151.54341 -140.76860 10.77481 3.13181 -141.12037 1211.47933
160.0000 -150.74757 -141.21422 9.53336 3.16124 -140.64470 1206.86154
165.0000 -151.37189 -141.18175 10.19014 3.19848 -140.04259 1251.81361
170.0000 -152.45206 -139.51046 12.94160 3.13959 -140.99460 1237.13804
175.0000 -151.57225 -141.29283 10.27943 3.10161 -141.60867 1217.19672
180.0000 -152.08409 -140.58058 11.50351 3.14161 -140.96202 1246.40066
185.0000 -150.48444 -139.94120 10.54324 3.13411 -141.08326 1228.20123
190.0000 -152.59358 -141.84270 10.75087 3.10021 -141.63121 1234.74363
195.0000 -154.21784 -144.15372 10.06412 3.00629 -143.14957 1168.63259
200.0000 -152.67474 -143.13609 9.53866 2.96026 -143.89375 1148.29839
205.0000 -152.37869 -141.06155 11.31714 3.15431 -140.75675 1239.59520
210.0000 -151.32409 -139.45616 11.86794 3.21621 -139.75600 1288.25477
215.0000 -149.99109 -140.67921 9.31187 3.20474 -139.94141 1304.28087
220.0000 -152.96336 -144.37788 8.58548 3.06834 -142.14654 1157.73878
225.0000 -154.25221 -144.24062 10.01158 2.93171 -144.35525 1091.83158
230.0000 -153.27599 -141.95147 11.32452 2.99722 -143.29623 1181.50709
235.0000 -151.55499 -141.40121 10.15377 3.08233 -141.92026 1221.97205
240.0000 -150.86630 -142.25964 8.60665 3.03967 -142.61005 1145.90085
245.0000 -152.03823 -140.29456 11.74367 3.12251 -141.27078 1232.84497
250.0000 -150.39543 -140.58989 9.80554 3.24255 -139.33015 1316.04351
FREEZING PROCESS: loop number 2 T-loop= 1195.0000000000000
main_MD> interactions number 2 at Temperature= 1195.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.89676 -1.39149 3.20922
force_rgl> df(natom) 0.37742 0.98427 -1.96409
255.0000 -153.11227 -141.16481 11.94745 3.15317 -140.77509 1252.05950
260.0000 -149.97966 -138.89498 11.08468 3.15937 -140.67484 1292.40407
265.0000 -150.50249 -139.37653 11.12595 3.22088 -139.68057 1288.39016
270.0000 -150.82604 -141.48639 9.33964 3.17010 -140.50146 1220.97370
275.0000 -154.25325 -142.69375 11.55951 3.04520 -142.52065 1214.69118
280.0000 -151.82116 -140.27717 11.54399 3.10502 -141.55354 1222.66895
285.0000 -151.47764 -142.31440 9.16325 3.14546 -140.89968 1258.17433
290.0000 -153.23632 -142.91974 10.31658 3.02075 -142.91578 1182.76350
295.0000 -152.54411 -142.58297 9.96115 3.04302 -142.55581 1209.36317
300.0000 -152.13900 -141.32668 10.81232 3.03851 -142.62880 1158.79941
305.0000 -152.25923 -142.00575 10.25348 3.12309 -141.26138 1218.94038
310.0000 -153.73007 -145.31362 8.41645 3.08182 -141.92864 1216.65505
315.0000 -153.19410 -142.92615 10.26794 2.96931 -143.74751 1164.16452
320.0000 -152.18586 -142.84012 9.34574 3.08115 -141.93944 1231.83732
325.0000 -153.57497 -142.60544 10.96953 3.00319 -143.19970 1173.60939
330.0000 -154.56940 -144.94968 9.61972 3.00465 -143.17612 1163.01642
335.0000 -153.87932 -143.51367 10.36565 2.95328 -144.00663 1123.91926
340.0000 -154.08011 -145.91906 8.16105 2.95000 -144.05966 1096.52982
345.0000 -155.90800 -145.76847 10.13954 2.83239 -145.96100 1026.01487
350.0000 -154.73232 -145.32590 9.40643 2.87398 -145.28855 1062.06766
355.0000 -153.46547 -144.33076 9.13471 2.92806 -144.41435 1064.22522
360.0000 -153.43686 -143.61431 9.82255 2.95403 -143.99445 1125.20839
365.0000 -154.02035 -145.39513 8.62522 3.02648 -142.82327 1167.69054
370.0000 -153.44522 -142.73221 10.71301 2.88677 -145.08181 1057.10801
375.0000 -151.28020 -140.45109 10.82911 3.10119 -141.61546 1228.46577
380.0000 -152.04740 -142.24975 9.79765 3.07661 -142.01283 1208.26270
385.0000 -152.21531 -141.64442 10.57089 3.03512 -142.68349 1187.99269
390.0000 -152.42271 -142.20462 10.21808 2.96010 -143.89637 1101.47905
395.0000 -153.33291 -142.74703 10.58588 3.05160 -142.41703 1189.02834
400.0000 -150.93357 -141.58423 9.34933 3.02783 -142.80141 1178.27465
405.0000 -151.83568 -143.39784 8.43785 3.00801 -143.12188 1162.16910
410.0000 -154.31843 -145.05356 9.26487 2.97106 -143.71917 1124.00908
415.0000 -151.81524 -143.93590 7.87934 2.95342 -144.00436 1118.94936
420.0000 -152.07903 -142.57978 9.49925 3.01546 -143.00137 1160.26998
425.0000 -152.81669 -144.63680 8.17989 2.98409 -143.50857 1113.89762
430.0000 -154.18556 -143.79058 10.39498 2.89249 -144.98936 1053.51437
435.0000 -149.58137 -140.05016 9.53121 3.13927 -140.99989 1256.66509
440.0000 -152.27452 -142.72606 9.54845 3.09922 -141.64729 1216.64453
445.0000 -153.25971 -144.54744 8.71227 3.00258 -143.20956 1141.32646
450.0000 -152.80360 -141.51307 11.29053 2.98582 -143.48059 1166.58783
455.0000 -153.68809 -144.59269 9.09540 3.00123 -143.23145 1134.75036
460.0000 -153.39979 -144.25425 9.14554 2.96304 -143.84886 1125.64749
465.0000 -153.06940 -143.16759 9.90181 2.97687 -143.62514 1152.82712
470.0000 -151.53620 -141.93501 9.60118 3.01075 -143.07755 1164.45797
475.0000 -151.38312 -139.51412 11.86900 3.13653 -141.04411 1265.77803
480.0000 -151.20927 -141.57782 9.63146 3.15178 -140.79759 1253.76659
485.0000 -153.70767 -143.35611 10.35156 3.05936 -142.29173 1208.45607
490.0000 -152.99823 -142.60942 10.38881 2.98170 -143.54719 1151.79808
495.0000 -152.33503 -142.45705 9.87799 3.01947 -142.93650 1172.64698
500.0000 -153.03791 -141.13055 11.90736 3.08879 -141.81594 1203.29184
FREEZING PROCESS: loop number 3 T-loop= 1170.0000000000000
main_MD> interactions number 3 at Temperature= 1170.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.79324 -7.45380 -3.41861
force_rgl> df(natom) -0.39149 -2.20393 -2.22505
505.0000 -153.75205 -144.27823 9.47382 3.00400 -143.18660 1192.56646
510.0000 -153.31576 -143.91947 9.39629 2.93389 -144.32009 1111.59027
515.0000 -153.89551 -142.79763 11.09788 3.00787 -143.12403 1168.87419
520.0000 -151.65539 -143.11886 8.53652 3.05240 -142.40422 1189.37835
525.0000 -153.33939 -142.63206 10.70734 3.06692 -142.16946 1155.70874
530.0000 -154.24081 -144.94831 9.29250 3.00200 -143.21894 1153.83050
535.0000 -154.25088 -143.88645 10.36443 2.85481 -145.59849 1075.41869
540.0000 -152.74774 -142.06538 10.68236 2.99628 -143.31136 1157.87744
545.0000 -152.54778 -141.23336 11.31443 3.06126 -142.26103 1204.08281
550.0000 -151.27353 -139.64237 11.63116 3.09705 -141.68229 1213.59834
555.0000 -152.09875 -142.16814 9.93061 3.12850 -141.17386 1237.39241
560.0000 -150.95909 -142.05153 8.90757 3.12954 -141.15709 1247.94003
565.0000 -150.93681 -141.55881 9.37800 3.06719 -142.16503 1136.29797
570.0000 -154.75665 -143.42822 11.32843 3.00721 -143.13473 1094.53529
575.0000 -152.33693 -142.88455 9.45238 2.98636 -143.47176 1151.47730
580.0000 -151.80690 -143.04813 8.75877 2.99006 -143.41205 1113.01274
585.0000 -152.56130 -142.95911 9.60220 3.08149 -141.93390 1201.42681
590.0000 -152.21645 -144.87609 7.34036 2.97886 -143.59307 1127.47964
595.0000 -154.35688 -145.25702 9.09986 2.87021 -145.34943 1068.80986
600.0000 -155.01420 -145.60290 9.41130 2.88810 -145.06034 1089.05846
605.0000 -155.73810 -144.84224 10.89586 2.89721 -144.91302 1085.93808
610.0000 -152.77878 -143.92468 8.85410 2.97792 -143.60827 1142.46365
615.0000 -152.87488 -143.20435 9.67053 3.04509 -142.52235 1168.37397
620.0000 -152.36813 -142.81941 9.54872 3.00774 -143.12619 1138.19665
625.0000 -151.89946 -142.26064 9.63883 3.03025 -142.76221 1166.94631
630.0000 -154.09225 -143.23156 10.86068 3.05236 -142.40476 1199.86441
635.0000 -153.12767 -141.53476 11.59291 3.10257 -141.59317 1195.39238
640.0000 -150.26907 -139.62139 10.64768 3.07501 -142.03864 1223.07901
645.0000 -152.35814 -141.06221 11.29593 3.09722 -141.67964 1222.37909
650.0000 -151.57035 -140.16758 11.40277 3.16107 -140.64738 1291.56743
655.0000 -151.94975 -142.71259 9.23716 3.05321 -142.39109 1138.00996
660.0000 -155.29147 -145.47534 9.81612 2.98920 -143.42591 1141.83583
665.0000 -153.62246 -143.45567 10.16679 2.92010 -144.54304 1120.81535
670.0000 -151.64589 -142.52415 9.12174 3.07297 -142.07161 1172.55079
675.0000 -152.63613 -143.71404 8.92209 2.98163 -143.54830 1132.99759
680.0000 -152.27410 -141.06620 11.20790 3.10884 -141.49173 1235.68539
685.0000 -153.53796 -145.29915 8.23881 2.98563 -143.48355 1117.05169
690.0000 -150.01825 -140.08361 9.93464 3.06123 -142.26141 1171.66188
695.0000 -152.37510 -142.18905 10.18605 3.14163 -140.96169 1259.75125
700.0000 -152.23085 -142.89723 9.33362 3.08086 -141.94409 1202.36677
705.0000 -152.30776 -141.95938 10.34838 2.94404 -144.15590 1105.56199
710.0000 -150.59521 -141.38485 9.21036 3.07017 -142.11691 1212.06529
715.0000 -153.54130 -143.21438 10.32692 3.09841 -141.66034 1241.43281
720.0000 -152.31153 -142.10236 10.20917 3.11961 -141.31761 1210.28927
725.0000 -153.81529 -143.78017 10.03513 3.02092 -142.91304 1162.08930
730.0000 -153.39530 -143.08381 10.31148 2.96502 -143.81673 1134.21027
735.0000 -152.18479 -142.53938 9.64541 3.00993 -143.09078 1152.57602
740.0000 -153.38665 -144.82310 8.56355 2.96001 -143.89771 1121.80489
745.0000 -151.27510 -142.65248 8.62262 2.96816 -143.76602 1074.78976
750.0000 -151.30740 -140.21053 11.09687 3.08970 -141.80113 1213.72279
FREEZING PROCESS: loop number 4 T-loop= 1145.0000000000000
main_MD> interactions number 4 at Temperature= 1145.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.55043 4.86139 -1.55093
force_rgl> df(natom) 0.63522 0.62528 0.92754
755.0000 -152.25756 -141.22738 11.03018 3.16857 -140.52617 1275.21292
760.0000 -151.56831 -142.67883 8.88948 3.03741 -142.64654 1155.35238
765.0000 -153.15270 -145.40628 7.74642 2.94177 -144.19259 1098.25510
770.0000 -150.55648 -139.17647 11.38001 2.97967 -143.57989 1129.71967
775.0000 -150.66117 -141.20916 9.45201 3.11895 -141.32839 1212.78408
780.0000 -151.01971 -140.82993 10.18978 3.15001 -140.82621 1275.63174
785.0000 -154.20223 -143.81242 10.38981 3.13622 -141.04908 1244.01472
790.0000 -155.43262 -145.34835 10.08427 2.88431 -145.12155 1089.35855
795.0000 -151.75223 -142.41639 9.33584 2.99479 -143.33548 1161.67261
800.0000 -152.20191 -144.03722 8.16469 3.03544 -142.67835 1160.94521
805.0000 -153.11299 -143.15229 9.96070 3.05537 -142.35622 1199.71195
810.0000 -152.76515 -143.48922 9.27594 3.02559 -142.83752 1142.20779
815.0000 -153.42356 -143.70071 9.72285 2.99657 -143.30669 1123.11039
820.0000 -153.34726 -144.76841 8.57885 2.94737 -144.10216 1083.12270
825.0000 -154.52983 -145.34051 9.18932 2.88990 -145.03126 1086.66451
830.0000 -151.39706 -141.90087 9.49619 2.97833 -143.60163 1144.28646
835.0000 -153.85187 -143.44017 10.41170 3.04285 -142.55861 1187.65582
840.0000 -151.81086 -141.60213 10.20873 3.03739 -142.64679 1171.22367
845.0000 -152.04909 -143.78127 8.26782 3.04584 -142.51020 1152.78672
850.0000 -151.61295 -142.51549 9.09746 2.95387 -143.99703 1120.64813
855.0000 -151.85216 -141.70030 10.15185 3.10511 -141.55213 1214.26952
860.0000 -152.31755 -141.73779 10.57975 2.99512 -143.33015 1138.03787
865.0000 -151.86927 -143.03230 8.83697 3.08558 -141.86777 1215.34624
870.0000 -152.76267 -143.39155 9.37112 3.05043 -142.43598 1164.47443
875.0000 -151.63252 -141.85295 9.77957 3.05788 -142.31555 1183.29303
880.0000 -153.08295 -141.57126 11.51169 3.14093 -140.97304 1224.15924
885.0000 -153.29349 -143.05049 10.24300 3.08217 -141.92295 1216.76615
890.0000 -153.93348 -144.11698 9.81650 2.96283 -143.85214 1122.19069
895.0000 -154.33662 -144.90349 9.43312 2.92687 -144.43361 1087.82276
900.0000 -154.36284 -145.97977 8.38307 2.82610 -146.06253 1025.40491
905.0000 -153.57689 -143.94997 9.62692 2.85072 -145.66465 1029.58884
910.0000 -153.54152 -144.10682 9.43470 3.00650 -143.14615 1134.35266
915.0000 -157.31153 -146.60216 10.70937 2.83298 -145.95144 1059.24342
920.0000 -155.03094 -147.30402 7.72691 2.84887 -145.69445 1038.95779
925.0000 -152.95509 -143.70027 9.25482 2.87481 -145.27522 1037.80541
930.0000 -154.46433 -144.76795 9.69637 2.93787 -144.25563 1105.89069
935.0000 -154.49976 -144.94598 9.55378 2.96048 -143.89019 1155.87961
940.0000 -152.82140 -143.42902 9.39238 2.97077 -143.72377 1143.76146
945.0000 -154.32787 -146.02418 8.30369 2.89133 -145.00803 1075.67247
950.0000 -151.58507 -143.50418 8.08089 2.87278 -145.30801 1071.13423
955.0000 -153.73153 -142.62232 11.10921 3.02084 -142.91436 1187.21742
960.0000 -154.44096 -142.50865 11.93231 2.99753 -143.29122 1162.18771
965.0000 -154.10630 -142.09896 12.00733 3.09682 -141.68608 1234.81895
970.0000 -152.15340 -141.62081 10.53259 3.06779 -142.15542 1159.52395
975.0000 -153.33333 -140.40303 12.93031 3.13873 -141.00849 1253.72614
980.0000 -151.55721 -139.68706 11.87014 3.17516 -140.41961 1274.32019
985.0000 -151.39723 -140.59183 10.80540 3.16390 -140.60160 1282.54077
990.0000 -153.91676 -144.37904 9.53772 2.98031 -143.56963 1158.93338
995.0000 -154.16986 -145.45990 8.70997 2.86147 -145.49077 1064.24576
1000.0000 -151.78485 -143.17807 8.60678 3.00612 -143.15228 1116.02994
FREEZING PROCESS: loop number 5 T-loop= 1120.0000000000000
main_MD> interactions number 5 at Temperature= 1120.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29276 1.10031 -3.82258
force_rgl> df(natom) 0.60164 2.76253 -1.20311
1005.0000 -151.16038 -140.86687 10.29351 3.08445 -141.88603 1176.52053
1010.0000 -152.50355 -143.62956 8.87399 3.02506 -142.84615 1142.71562
1015.0000 -150.24628 -143.04630 7.19998 3.01396 -143.02565 1107.00977
1020.0000 -150.30435 -139.96308 10.34127 3.03886 -142.62311 1178.27830
1025.0000 -153.64080 -142.35718 11.28362 3.09119 -141.77710 1196.38194
1030.0000 -152.57639 -144.17683 8.39957 2.98669 -143.46645 1141.37957
1035.0000 -152.67713 -143.21258 9.46455 2.93542 -144.29532 1073.35975
1040.0000 -154.66649 -145.29697 9.36952 2.90722 -144.75114 1095.61766
1045.0000 -154.73031 -145.43768 9.29263 2.95226 -144.02309 1108.02019
1050.0000 -156.49924 -148.25837 8.24087 2.85900 -145.53074 1076.88371
1055.0000 -153.57435 -144.67421 8.90014 2.79548 -146.55760 994.55216
1060.0000 -152.50086 -144.28091 8.21995 2.99187 -143.38280 1152.61037
1065.0000 -152.34781 -144.79017 7.55764 2.99709 -143.29828 1154.82969
1070.0000 -152.49321 -142.23093 10.26227 2.98226 -143.53806 1143.00022
1075.0000 -152.56140 -143.86568 8.69572 3.02469 -142.85220 1163.28798
1080.0000 -151.87595 -141.73053 10.14541 3.07821 -141.98689 1211.07182
1085.0000 -151.96281 -142.40626 9.55655 3.10581 -141.54082 1235.29126
1090.0000 -150.80139 -141.82249 8.97889 3.12987 -141.15180 1248.96490
1095.0000 -152.28644 -141.11535 11.17109 3.04835 -142.46964 1149.36206
1100.0000 -153.82994 -144.86265 8.96730 3.01265 -143.04677 1138.07120
1105.0000 -153.57188 -144.57167 9.00022 2.96361 -143.83955 1120.93784
1110.0000 -155.80281 -145.42404 10.37877 2.85852 -145.53843 1029.85934
1115.0000 -152.48050 -142.65217 9.82834 2.91901 -144.56053 1088.27604
1120.0000 -152.78460 -141.09989 11.68471 3.07140 -142.09706 1186.09444
1125.0000 -152.95606 -144.39141 8.56465 3.02193 -142.89685 1180.66380
1130.0000 -153.61187 -142.75870 10.85317 2.95212 -144.02537 1128.59013
1135.0000 -153.57697 -144.22009 9.35688 2.99249 -143.37274 1132.02501
1140.0000 -153.44508 -143.74561 9.69947 2.99893 -143.26864 1151.10902
1145.0000 -153.12918 -144.22630 8.90288 2.97827 -143.60257 1151.65481
1150.0000 -151.93075 -141.70314 10.22761 3.02519 -142.84413 1150.80493
1155.0000 -152.77606 -143.45091 9.32515 3.11752 -141.35136 1206.91327
1160.0000 -153.47835 -144.60141 8.87694 2.96860 -143.75894 1138.04489
1165.0000 -153.85833 -144.73081 9.12752 2.83755 -145.87751 1015.19093
1170.0000 -153.85182 -143.26107 10.59074 2.97017 -143.73355 1110.09162
1175.0000 -152.21564 -142.16692 10.04872 2.99636 -143.31012 1179.37576
1180.0000 -151.96324 -143.67361 8.28963 3.03128 -142.74562 1151.57698
1185.0000 -155.86263 -146.11901 9.74362 2.87668 -145.24487 1066.85714
1190.0000 -156.64133 -147.47742 9.16391 2.76673 -147.02235 988.50703
1195.0000 -155.28181 -145.74679 9.53502 2.80957 -146.32985 1015.67273
1200.0000 -153.88095 -145.49625 8.38471 2.88173 -145.16332 1067.89378
1205.0000 -151.72362 -143.51216 8.21146 2.94964 -144.06538 1127.34052
1210.0000 -153.03410 -143.67478 9.35932 2.96515 -143.81465 1119.12732
1215.0000 -151.78015 -143.71057 8.06958 2.95393 -143.99612 1127.33423
1220.0000 -152.95440 -143.28329 9.67111 3.06359 -142.22333 1170.35249
1225.0000 -152.28312 -143.92425 8.35886 3.00646 -143.14681 1151.49556
1230.0000 -156.37175 -146.41366 9.95809 2.89123 -145.00972 1101.44513
1235.0000 -154.63561 -145.14111 9.49451 2.83888 -145.85598 1052.70678
1240.0000 -154.59702 -145.89536 8.70166 2.82250 -146.12086 1018.39699
1245.0000 -156.54738 -146.15399 10.39339 2.74432 -147.38466 967.35950
1250.0000 -155.63216 -146.89224 8.73992 2.78810 -146.67699 1006.08444
FREEZING PROCESS: loop number 6 T-loop= 1095.0000000000000
main_MD> interactions number 6 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.57853 1.36318 -0.01283
force_rgl> df(natom) -2.42996 0.43529 1.94485
1255.0000 -155.40358 -146.12780 9.27578 2.84617 -145.73822 1047.28539
1260.0000 -152.32083 -144.35800 7.96283 2.85353 -145.61921 1038.71893
1265.0000 -153.65214 -144.39041 9.26173 2.93041 -144.37638 1109.73842
1270.0000 -154.50524 -143.22156 11.28369 2.93729 -144.26506 1099.46782
1275.0000 -153.64365 -145.05594 8.58771 2.98571 -143.48235 1123.63249
1280.0000 -154.93394 -145.78886 9.14508 2.87277 -145.30819 1057.70672
1285.0000 -154.20953 -146.59597 7.61357 2.78605 -146.71001 999.72742
1290.0000 -154.36314 -144.87962 9.48351 2.89312 -144.97922 1087.44939
1295.0000 -152.16518 -143.53366 8.63152 2.88921 -145.04240 1094.32247
1300.0000 -152.58498 -143.31132 9.27367 3.01490 -143.01036 1111.18039
1305.0000 -153.46948 -143.13964 10.32983 2.99957 -143.25820 1120.31397
1310.0000 -153.48985 -144.25194 9.23791 3.00011 -143.24950 1152.86056
1315.0000 -151.97562 -141.67702 10.29860 2.99162 -143.38674 1097.96350
1320.0000 -152.67343 -142.54242 10.13101 3.04958 -142.44972 1174.15755
1325.0000 -153.90272 -143.74478 10.15794 3.03958 -142.61145 1190.38670
1330.0000 -154.60804 -144.65895 9.94909 2.91676 -144.59705 1122.43298
1335.0000 -154.22672 -144.02177 10.20495 2.98078 -143.56204 1148.87146
1340.0000 -155.36067 -145.24011 10.12056 2.88715 -145.07571 1107.74713
1345.0000 -154.98846 -146.61241 8.37606 2.86153 -145.48982 1048.68801
1350.0000 -154.39490 -144.52615 9.86875 2.88758 -145.06875 1065.86723
1355.0000 -152.88418 -145.11795 7.76623 2.88209 -145.15744 1070.03907
1360.0000 -154.21205 -145.60768 8.60437 2.87439 -145.28197 1054.06683
1365.0000 -154.69768 -144.00572 10.69196 2.91645 -144.60205 1109.18688
1370.0000 -153.07638 -143.95813 9.11824 2.91771 -144.58154 1086.91514
1375.0000 -152.16629 -143.22467 8.94162 2.95525 -143.97470 1125.66501
1380.0000 -152.82818 -142.30439 10.52379 3.03638 -142.66310 1149.87491
1385.0000 -151.54845 -142.64772 8.90073 3.02203 -142.89517 1183.44134
1390.0000 -154.70693 -144.85754 9.84939 2.93988 -144.22319 1112.42553
1395.0000 -153.87423 -144.95785 8.91638 2.87319 -145.30126 1064.10512
1400.0000 -153.33902 -144.06388 9.27513 2.85391 -145.61302 1023.30331
1405.0000 -152.76905 -143.53516 9.23389 2.93905 -144.23667 1127.32114
1410.0000 -154.42812 -146.30241 8.12571 2.92060 -144.53492 1101.72913
1415.0000 -155.74236 -146.03823 9.70413 2.79968 -146.48973 1036.81743
1420.0000 -152.92071 -143.75287 9.16784 2.88795 -145.06267 1049.38785
1425.0000 -152.05925 -144.21240 7.84685 2.89204 -144.99659 1106.22128
1430.0000 -154.40505 -144.65387 9.75118 2.92878 -144.40268 1077.20833
1435.0000 -152.91713 -143.67914 9.23799 2.99513 -143.32999 1181.12075
1440.0000 -154.79089 -143.43136 11.35953 2.96522 -143.81354 1106.28646
1445.0000 -153.25831 -144.49947 8.75884 2.92687 -144.43359 1105.08035
1450.0000 -154.59146 -144.65593 9.93553 2.90679 -144.75810 1073.34852
1455.0000 -153.20058 -145.37831 7.82227 2.91137 -144.68413 1064.50830
1460.0000 -154.53043 -146.32918 8.20125 2.84292 -145.79070 1013.47000
1465.0000 -154.57018 -144.00140 10.56878 2.84155 -145.81281 1026.54491
1470.0000 -156.87478 -147.42849 9.44629 2.84642 -145.73408 1047.47451
1475.0000 -156.10289 -146.67100 9.43188 2.78979 -146.64967 1041.95065
1480.0000 -154.41263 -146.66269 7.74994 2.76384 -147.06913 979.65419
1485.0000 -155.28775 -145.41582 9.87193 2.83202 -145.96692 1017.97547
1490.0000 -154.91938 -147.42719 7.49219 2.82056 -146.15219 989.28274
1495.0000 -152.86140 -145.20154 7.65986 2.78781 -146.68155 981.92095
1500.0000 -155.39980 -145.26996 10.12984 2.91771 -144.58160 1045.96075
FREEZING PROCESS: loop number 7 T-loop= 1070.0000000000000
main_MD> interactions number 7 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.97449 6.97077 0.78783
force_rgl> df(natom) 1.43703 -0.73719 -0.83659
1505.0000 -154.36995 -146.56158 7.80837 2.87028 -145.34846 1062.05465
1510.0000 -156.75290 -147.46131 9.29159 2.72711 -147.66291 950.79005
1515.0000 -155.15652 -145.23362 9.92290 2.86595 -145.41845 1068.08096
1520.0000 -152.21494 -143.32938 8.88556 2.93169 -144.35560 1112.79790
1525.0000 -156.09485 -145.42807 10.66678 2.92930 -144.39428 1123.32341
1530.0000 -154.07025 -146.31000 7.76024 2.82176 -146.13281 1051.91537
1535.0000 -153.80332 -143.65295 10.15038 2.81986 -146.16348 996.80343
1540.0000 -153.56837 -144.59252 8.97586 2.99179 -143.38396 1167.19437
1545.0000 -154.05116 -142.08803 11.96313 3.01410 -143.02335 1107.36278
1550.0000 -154.42771 -146.43885 7.98886 2.94018 -144.21828 1084.74404
1555.0000 -153.83831 -144.56669 9.27162 2.86501 -145.43351 1061.35675
1560.0000 -154.00545 -144.97011 9.03534 2.96108 -143.88047 1128.90155
1565.0000 -151.66470 -142.67254 8.99216 3.01412 -143.02302 1182.78652
1570.0000 -153.50931 -143.92933 9.57997 2.95208 -144.02596 1109.88350
1575.0000 -154.94294 -143.94669 10.99624 2.90646 -144.76349 1101.34634
1580.0000 -153.20318 -145.26262 7.94056 2.91423 -144.63784 1101.34758
1585.0000 -154.79920 -146.94806 7.85114 2.75812 -147.16161 974.87415
1590.0000 -155.44705 -146.55527 8.89178 2.79703 -146.53251 989.87475
1595.0000 -155.36667 -145.73502 9.63165 2.80934 -146.33354 1024.15949
1600.0000 -154.51147 -146.70256 7.80891 2.86712 -145.39945 1061.88230
1605.0000 -155.43805 -147.50175 7.93630 2.77437 -146.89889 1041.83809
1610.0000 -154.16957 -145.64751 8.52205 2.82131 -146.14008 1021.61110
1615.0000 -153.77231 -144.02882 9.74349 2.89050 -145.02145 1061.16310
1620.0000 -153.02435 -146.26319 6.76116 2.83141 -145.97671 1045.09584
1625.0000 -155.86937 -147.71745 8.15192 2.79247 -146.60620 1004.63590
1630.0000 -154.55102 -146.07969 8.47133 2.77367 -146.91015 975.48676
1635.0000 -155.50032 -145.81530 9.68502 2.81740 -146.20330 1032.98741
1640.0000 -157.22066 -147.19188 10.02878 2.76600 -147.03423 1020.40764
1645.0000 -153.03102 -145.38871 7.64232 2.85522 -145.59186 1026.55593
1650.0000 -155.02993 -147.19440 7.83553 2.82380 -146.09978 1026.50719
1655.0000 -154.11511 -146.19731 7.91780 2.80814 -146.35292 1027.54533
1660.0000 -153.25722 -144.72721 8.53001 2.87308 -145.30303 1075.12293
1665.0000 -154.38556 -143.77697 10.60859 2.96778 -143.77212 1137.11743
1670.0000 -154.28824 -145.24582 9.04241 2.96799 -143.76879 1130.87941
1675.0000 -154.58780 -145.70041 8.88739 2.81151 -146.29846 1032.82628
1680.0000 -153.71225 -144.11311 9.59914 2.90612 -144.76901 1058.91146
1685.0000 -153.52129 -144.90985 8.61143 2.92760 -144.42171 1048.37851
1690.0000 -153.25093 -143.81311 9.43782 2.96778 -143.77218 1115.40992
1695.0000 -152.76061 -143.42623 9.33438 2.94281 -144.17581 1074.51642
1700.0000 -154.31458 -145.40926 8.90532 2.91024 -144.70229 1083.68784
1705.0000 -153.12025 -144.33481 8.78545 2.91817 -144.57413 1095.02220
1710.0000 -154.76670 -145.35930 9.40741 2.88471 -145.11510 1073.27779
1715.0000 -154.14316 -145.07075 9.07241 2.81305 -146.27355 1033.77882
1720.0000 -153.10861 -143.61011 9.49850 2.89940 -144.87769 1058.98742
1725.0000 -153.07935 -143.28769 9.79166 2.98040 -143.56808 1143.48315
1730.0000 -154.64840 -145.15218 9.49622 2.91828 -144.57239 1129.11423
1735.0000 -153.57920 -144.98814 8.59106 2.91630 -144.60449 1104.47286
1740.0000 -154.45833 -145.20965 9.24868 2.92212 -144.51026 1066.75058
1745.0000 -155.62901 -147.33551 8.29350 2.83323 -145.94737 1009.49457
1750.0000 -153.76371 -146.10859 7.65513 2.79356 -146.58858 982.79998
FREEZING PROCESS: loop number 8 T-loop= 1045.0000000000000
main_MD> interactions number 8 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.42503 -0.90634 -1.07770
force_rgl> df(natom) -4.92147 5.71711 -5.05151
1755.0000 -152.16060 -143.67899 8.48161 2.88514 -145.10819 1064.77602
1760.0000 -154.79411 -144.35674 10.43736 2.93192 -144.35188 1063.97976
1765.0000 -152.25431 -143.86278 8.39153 2.91903 -144.56027 1069.45163
1770.0000 -154.78981 -145.60922 9.18059 2.94163 -144.19486 1101.66047
1775.0000 -153.34646 -144.62982 8.71663 2.84007 -145.83672 1042.74952
1780.0000 -156.22149 -147.16833 9.05316 2.85445 -145.60430 1042.54965
1785.0000 -155.35087 -145.60625 9.74462 2.83683 -145.88911 1070.66758
1790.0000 -153.55389 -145.35162 8.20228 2.83029 -145.99479 1003.00866
1795.0000 -155.89337 -146.99058 8.90279 2.74645 -147.35023 960.89317
1800.0000 -155.44665 -146.69545 8.75120 2.76811 -147.00013 987.06033
1805.0000 -156.03470 -147.47199 8.56271 2.72658 -147.67151 930.44789
1810.0000 -153.33635 -145.11275 8.22360 2.83248 -145.95950 1030.76576
1815.0000 -152.46924 -145.20826 7.26097 2.87111 -145.33496 1031.41471
1820.0000 -155.63370 -146.75952 8.87418 2.85169 -145.64888 1040.83207
1825.0000 -155.70521 -148.54547 7.15975 2.78983 -146.64891 993.03723
1830.0000 -156.81843 -147.48095 9.33748 2.67982 -148.42734 945.09914
1835.0000 -153.15677 -143.61958 9.53720 2.77836 -146.83431 989.14089
1840.0000 -154.94419 -144.70209 10.24210 2.88189 -145.16069 1071.72063
1845.0000 -153.39536 -145.20975 8.18561 2.87254 -145.31178 1070.19821
1850.0000 -154.82002 -145.12596 9.69406 2.91852 -144.56844 1081.08842
1855.0000 -154.99270 -145.22778 9.76492 2.93647 -144.27830 1137.03130
1860.0000 -154.70995 -145.87022 8.83973 2.82842 -146.02507 1041.01255
1865.0000 -154.07467 -146.14681 7.92787 2.88611 -145.09248 1073.41425
1870.0000 -153.48686 -146.97714 6.50972 2.74190 -147.42386 996.43339
1875.0000 -154.32194 -146.35217 7.96977 2.80037 -146.47856 971.27655
1880.0000 -158.17336 -148.57466 9.59870 2.70424 -148.03265 946.60546
1885.0000 -153.96207 -146.30938 7.65269 2.80143 -146.46137 1057.47937
1890.0000 -152.26042 -143.18230 9.07811 2.86647 -145.40989 1078.68614
1895.0000 -154.09246 -144.75877 9.33368 2.99133 -143.39148 1175.47616
1900.0000 -154.86860 -146.14475 8.72384 2.81339 -146.26811 1008.31587
1905.0000 -155.56716 -147.42349 8.14367 2.74612 -147.35556 986.24897
1910.0000 -156.97683 -147.04827 9.92856 2.73707 -147.50195 950.78921
1915.0000 -153.74822 -145.32345 8.42477 2.83636 -145.89674 1073.08796
1920.0000 -154.69383 -145.98248 8.71135 2.90845 -144.73125 1067.01168
1925.0000 -154.58959 -144.51647 10.07312 2.89759 -144.90689 1074.39557
1930.0000 -152.75913 -143.69069 9.06844 2.95850 -143.92213 1144.15285
1935.0000 -152.76997 -142.75828 10.01169 3.02182 -142.89860 1160.37347
1940.0000 -151.51435 -143.03179 8.48256 3.04118 -142.58564 1159.19793
1945.0000 -154.74659 -145.12846 9.61813 2.97735 -143.61738 1118.66633
1950.0000 -155.46538 -144.81790 10.64748 2.86182 -145.48520 1051.98544
1955.0000 -155.25533 -147.31389 7.94143 2.81891 -146.17886 1025.31170
1960.0000 -155.02527 -146.73556 8.28971 2.80517 -146.40095 1016.21852
1965.0000 -154.11660 -143.54769 10.56891 2.87249 -145.31257 1023.71233
1970.0000 -154.40994 -145.62262 8.78732 2.84294 -145.79040 1022.09577
1975.0000 -154.14676 -147.06353 7.08323 2.84325 -145.78540 1044.79732
1980.0000 -155.09578 -147.55596 7.53982 2.76138 -147.10891 988.85372
1985.0000 -154.31302 -144.86235 9.45067 2.77125 -146.94931 1015.95086
1990.0000 -153.75838 -144.58906 9.16932 2.84413 -145.77117 1033.12672
1995.0000 -154.22491 -145.60805 8.61686 2.85575 -145.58330 1033.57530
2000.0000 -153.02097 -145.16766 7.85331 2.84882 -145.69533 1042.46914
FREEZING PROCESS: loop number 9 T-loop= 1020.0000000000000
main_MD> interactions number 9 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34559 -2.20834 -3.78222
force_rgl> df(natom) -3.32656 -0.03591 1.17349
2005.0000 -155.51536 -146.15635 9.35901 2.88860 -145.05220 1060.13965
2010.0000 -155.32490 -147.83491 7.49000 2.76444 -147.05940 1001.00115
2015.0000 -154.59193 -147.28722 7.30472 2.79057 -146.63699 1022.36885
2020.0000 -152.40968 -144.52055 7.88913 2.88815 -145.05951 1068.56429
2025.0000 -152.18858 -141.62799 10.56058 3.01385 -143.02746 1149.32588
2030.0000 -152.98859 -142.84630 10.14230 3.02964 -142.77212 1165.17603
2035.0000 -152.07387 -143.48506 8.58881 2.96810 -143.76701 1112.15590
2040.0000 -153.53914 -144.52017 9.01897 2.92708 -144.43012 1090.33390
2045.0000 -154.78978 -146.22336 8.56642 2.85046 -145.66873 1023.34929
2050.0000 -153.37924 -145.51733 7.86191 2.92405 -144.47904 1075.15489
2055.0000 -153.98708 -145.46364 8.52344 2.89849 -144.89225 1099.63141
2060.0000 -153.81513 -144.32387 9.49126 2.88139 -145.16884 1071.73583
2065.0000 -155.73791 -144.92845 10.80946 2.91617 -144.60651 1093.74758
2070.0000 -154.17041 -145.58635 8.58406 2.86467 -145.43901 1036.42137
2075.0000 -154.86367 -145.68929 9.17439 2.80526 -146.39958 1021.00833
2080.0000 -155.30434 -145.80520 9.49914 2.76459 -147.05705 1010.20366
2085.0000 -156.51583 -146.67267 9.84315 2.80908 -146.33776 1013.62266
2090.0000 -154.71490 -146.54190 8.17300 2.86669 -145.40649 1082.18065
2095.0000 -154.30830 -146.02078 8.28752 2.79502 -146.56499 1007.98400
2100.0000 -154.04127 -145.64469 8.39658 2.84586 -145.74309 1062.29738
2105.0000 -154.83120 -145.28829 9.54291 2.83748 -145.87855 1013.93158
2110.0000 -154.17322 -146.20970 7.96352 2.83048 -145.99175 1025.95612
2115.0000 -155.18662 -146.57368 8.61294 2.79253 -146.60530 976.52538
2120.0000 -156.13501 -148.09677 8.03824 2.72404 -147.71256 961.81560
2125.0000 -154.98486 -144.73653 10.24833 2.76608 -147.03287 957.50186
2130.0000 -155.13317 -146.46675 8.66642 2.82623 -146.06044 1056.84361
2135.0000 -155.40939 -147.05278 8.35661 2.76627 -147.02977 976.31507
2140.0000 -155.28879 -146.30975 8.97904 2.76986 -146.97178 987.46423
2145.0000 -155.12529 -146.66971 8.45558 2.82473 -146.08482 1039.09039
2150.0000 -154.27804 -147.02440 7.25364 2.76025 -147.12716 955.02279
2155.0000 -154.97719 -145.65506 9.32214 2.80636 -146.38176 1009.82580
2160.0000 -155.11702 -146.09043 9.02658 2.85280 -145.63100 1047.55304
2165.0000 -155.12835 -146.57559 8.55276 2.79682 -146.53595 1033.06486
2170.0000 -155.36439 -146.78900 8.57539 2.79920 -146.49750 1022.37777
2175.0000 -155.28813 -145.71990 9.56824 2.84000 -145.83792 1037.17025
2180.0000 -155.58294 -147.80906 7.77388 2.81422 -146.25469 1026.42503
2185.0000 -154.44355 -146.05430 8.38925 2.71216 -147.90466 957.36585
2190.0000 -154.89342 -146.70841 8.18502 2.81521 -146.23864 1032.89864
2195.0000 -153.69584 -144.73750 8.95834 2.84076 -145.82555 1025.73938
2200.0000 -154.77736 -146.79575 7.98160 2.88624 -145.09039 1084.63945
2205.0000 -155.02164 -148.27856 6.74308 2.78480 -146.73031 997.45036
2210.0000 -155.46500 -147.43669 8.02831 2.74716 -147.33881 977.10409
2215.0000 -156.30559 -147.42898 8.87661 2.82442 -146.08969 1027.60426
2220.0000 -155.25329 -147.41426 7.83903 2.75333 -147.23905 1012.23341
2225.0000 -154.88677 -146.64641 8.24035 2.80422 -146.41631 1015.82525
2230.0000 -153.64900 -143.24384 10.40517 2.91100 -144.69015 1049.95918
2235.0000 -151.82958 -141.65883 10.17075 3.00131 -143.23020 1146.70976
2240.0000 -153.99121 -145.13059 8.86062 2.97954 -143.58203 1145.46380
2245.0000 -153.61699 -143.03636 10.58063 2.96622 -143.79745 1140.00448
2250.0000 -152.62285 -145.00538 7.61747 2.97753 -143.61458 1133.43944
FREEZING PROCESS: loop number 10 T-loop= 995.00000000000000
main_MD> interactions number 10 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.24140 1.79917 1.57847
force_rgl> df(natom) -0.07881 2.32896 1.05333
2255.0000 -153.99100 -144.88896 9.10204 2.86127 -145.49397 1034.22547
2260.0000 -155.16236 -146.80923 8.35313 2.81080 -146.30990 1017.12398
2265.0000 -154.78070 -147.35659 7.42411 2.72101 -147.76148 977.06141
2270.0000 -156.03529 -146.28656 9.74873 2.74455 -147.38096 957.03595
2275.0000 -154.49487 -144.21281 10.28206 2.86107 -145.49731 1099.04480
2280.0000 -155.27861 -146.92609 8.35252 2.77193 -146.93833 1005.38399
2285.0000 -156.10111 -147.47932 8.62179 2.76435 -147.06087 993.36908
2290.0000 -156.70736 -148.49219 8.21517 2.68253 -148.38357 925.19713
2295.0000 -155.75703 -146.66352 9.09352 2.70042 -148.09430 972.53856
2300.0000 -155.37635 -146.28424 9.09212 2.75638 -147.18977 987.32280
2305.0000 -153.69435 -144.94643 8.74792 2.88337 -145.13678 1024.08149
2310.0000 -154.45935 -144.88287 9.57648 2.89775 -144.90426 1042.34209
2315.0000 -153.75922 -143.48098 10.27824 2.92074 -144.53259 1072.25019
2320.0000 -153.73880 -145.17062 8.56818 2.94828 -144.08736 1099.64438
2325.0000 -155.30268 -147.81668 7.48600 2.79177 -146.61762 988.42968
2330.0000 -157.43036 -148.39604 9.03432 2.66857 -148.60927 920.28449
2335.0000 -153.52323 -145.75726 7.76597 2.76551 -147.04213 985.38353
2340.0000 -155.84407 -146.65823 9.18584 2.80818 -146.35228 1038.82520
2345.0000 -155.19158 -147.56613 7.62545 2.78537 -146.72097 1000.88711
2350.0000 -155.65289 -147.34080 8.31209 2.73705 -147.50215 974.38067
2355.0000 -154.47771 -147.00939 7.46832 2.71381 -147.87791 979.74044
2360.0000 -154.72708 -144.80422 9.92286 2.82790 -146.03347 1000.73463
2365.0000 -155.98461 -147.30740 8.67721 2.81182 -146.29350 1012.32310
2370.0000 -155.81715 -147.04079 8.77636 2.73529 -147.53068 974.50415
2375.0000 -155.19095 -146.47545 8.71549 2.82716 -146.04550 1061.02011
2380.0000 -156.54311 -149.27430 7.26881 2.68921 -148.27563 957.39512
2385.0000 -155.37411 -148.36986 7.00425 2.71335 -147.88533 934.73197
2390.0000 -154.99325 -146.72908 8.26417 2.72222 -147.74190 930.00018
2395.0000 -155.60755 -146.79939 8.80816 2.74600 -147.35756 978.20340
2400.0000 -155.76322 -148.46865 7.29457 2.69973 -148.10555 923.41362
2405.0000 -156.80843 -148.50688 8.30156 2.66888 -148.60425 913.99301
2410.0000 -156.45506 -149.64171 6.81335 2.63870 -149.09218 878.61384
2415.0000 -155.89025 -147.77545 8.11480 2.66425 -148.67906 920.64114
2420.0000 -152.95319 -144.28215 8.67104 2.84549 -145.74914 1029.62924
2425.0000 -154.61059 -146.49501 8.11557 2.83358 -145.94166 1035.16828
2430.0000 -156.37318 -146.80508 9.56811 2.80224 -146.44837 1026.73016
2435.0000 -155.24584 -147.56099 7.68485 2.81274 -146.27852 1005.17621
2440.0000 -154.29325 -146.24000 8.05325 2.76441 -147.05982 955.84253
2445.0000 -154.81673 -147.64052 7.17620 2.77009 -146.96814 986.39452
2450.0000 -156.09904 -148.14309 7.95595 2.67620 -148.48599 917.45444
2455.0000 -156.14827 -147.60656 8.54171 2.71859 -147.80065 956.59560
2460.0000 -152.75369 -143.67757 9.07612 2.80068 -146.47354 1044.73335
2465.0000 -154.84661 -144.95030 9.89631 2.87370 -145.29314 1043.07185
2470.0000 -154.96545 -147.17655 7.78889 2.84448 -145.76541 1026.46104
2475.0000 -151.99427 -144.30936 7.68490 2.88024 -145.18729 1020.08621
2480.0000 -153.23843 -143.82060 9.41783 2.96080 -143.88493 1128.17825
2485.0000 -152.58506 -145.14807 7.43699 2.90011 -144.86608 1084.37078
2490.0000 -156.14347 -147.44514 8.69833 2.83549 -145.91077 1041.34681
2495.0000 -155.00955 -147.15738 7.85217 2.74576 -147.36135 953.39212
2500.0000 -154.36239 -145.49067 8.87172 2.84550 -145.74892 1017.30921
FREEZING PROCESS: loop number 11 T-loop= 970.00000000000000
main_MD> interactions number 11 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33788 4.87622 -1.79178
force_rgl> df(natom) 1.27557 1.99581 3.93664
2505.0000 -155.05293 -147.24735 7.80558 2.78432 -146.73802 987.32604
2510.0000 -155.85668 -148.13169 7.72498 2.73801 -147.48672 987.99322
2515.0000 -154.45384 -147.48378 6.97006 2.68291 -148.37743 925.19217
2520.0000 -153.95769 -144.56239 9.39530 2.84175 -145.80965 1021.91021
2525.0000 -152.06638 -143.37975 8.68664 2.96936 -143.74669 1097.36872
2530.0000 -154.02661 -145.31495 8.71166 2.95411 -143.99323 1095.73403
2535.0000 -156.71015 -145.93828 10.77187 2.86052 -145.50623 1034.57588
2540.0000 -154.84012 -147.79226 7.04786 2.74511 -147.37185 957.45915
2545.0000 -156.81866 -149.73659 7.08208 2.68893 -148.28019 935.43241
2550.0000 -155.69213 -147.54412 8.14801 2.67672 -148.47757 914.25728
2555.0000 -154.29311 -146.68912 7.60399 2.72747 -147.65711 982.44006
2560.0000 -155.68349 -147.48938 8.19410 2.73395 -147.55226 937.73983
2565.0000 -154.35941 -145.87069 8.48873 2.79284 -146.60027 964.51056
2570.0000 -156.92214 -149.43211 7.49002 2.74369 -147.39480 962.89719
2575.0000 -157.18157 -150.11873 7.06285 2.63032 -149.22763 905.13607
2580.0000 -156.78354 -149.27357 7.50997 2.63782 -149.10644 895.76659
2585.0000 -156.77584 -148.73705 8.03879 2.62378 -149.33335 900.92877
2590.0000 -155.50214 -148.28559 7.21656 2.69341 -148.20764 929.79273
2595.0000 -155.48660 -148.18670 7.29990 2.66627 -148.64641 931.82329
2600.0000 -153.96648 -146.18095 7.78553 2.76650 -147.02611 997.47469
2605.0000 -153.68546 -143.93812 9.74734 2.87863 -145.21344 1023.73175
2610.0000 -153.37497 -143.96607 9.40890 2.96170 -143.87050 1084.71801
2615.0000 -154.84417 -144.00547 10.83871 2.94202 -144.18867 1113.53261
2620.0000 -156.42577 -149.34301 7.08276 2.83034 -145.99405 1008.49370
2625.0000 -157.63184 -148.72695 8.90489 2.72507 -147.69588 968.55740
2630.0000 -155.58254 -147.56434 8.01819 2.68853 -148.28657 945.53921
2635.0000 -157.50079 -149.39069 8.11011 2.65801 -148.78005 924.31625
2640.0000 -156.09840 -147.84957 8.24884 2.65045 -148.90223 890.62989
2645.0000 -155.38045 -147.57688 7.80357 2.75442 -147.22144 965.65992
2650.0000 -154.67928 -146.26738 8.41191 2.78699 -146.69494 1011.63304
2655.0000 -155.14751 -144.31168 10.83583 2.84658 -145.73156 1044.06546
2660.0000 -153.83648 -144.20607 9.63040 2.92851 -144.40704 1080.15494
2665.0000 -154.13569 -144.91514 9.22055 2.88034 -145.18567 1056.21528
2670.0000 -155.64672 -147.70045 7.94627 2.81739 -146.20336 1024.44268
2675.0000 -154.65355 -146.01829 8.63526 2.77202 -146.93680 957.02934
2680.0000 -154.99365 -144.16955 10.82410 2.84133 -145.81645 1041.61526
2685.0000 -155.52715 -145.83131 9.69584 2.87423 -145.28452 1077.59946
2690.0000 -156.29740 -147.38353 8.91388 2.75952 -147.13896 989.88532
2695.0000 -155.78082 -148.16954 7.61127 2.68828 -148.29061 956.95598
2700.0000 -156.55865 -148.14010 8.41855 2.67951 -148.43242 936.58501
2705.0000 -156.81222 -147.46300 9.34922 2.72681 -147.66783 959.62608
2710.0000 -155.73897 -147.85429 7.88468 2.75270 -147.24927 993.46561
2715.0000 -155.83800 -147.13971 8.69829 2.64859 -148.93227 926.61222
2720.0000 -156.02884 -148.75430 7.27454 2.70813 -147.96972 961.86715
2725.0000 -156.69770 -147.40389 9.29381 2.68253 -148.38362 945.20024
2730.0000 -156.83698 -148.48596 8.35103 2.71100 -147.92336 956.74328
2735.0000 -157.13792 -147.29727 9.84066 2.73637 -147.51313 979.05371
2740.0000 -156.85559 -148.01706 8.83853 2.70813 -147.96970 929.09924
2745.0000 -153.28686 -143.89879 9.38807 2.81094 -146.30772 1016.87582
2750.0000 -156.12058 -147.83144 8.28914 2.87503 -145.27159 1051.20087
FREEZING PROCESS: loop number 12 T-loop= 945.00000000000000
main_MD> interactions number 12 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.25866 -1.09264 1.51452
force_rgl> df(natom) -0.41516 -1.28567 -5.52803
2755.0000 -154.90379 -146.85447 8.04932 2.75274 -147.24859 983.47639
2760.0000 -155.22824 -145.80610 9.42214 2.80951 -146.33085 993.63427
2765.0000 -155.37089 -148.42983 6.94106 2.69577 -148.16954 934.94094
2770.0000 -155.43415 -148.08847 7.34567 2.62120 -149.37505 872.04896
2775.0000 -156.58231 -147.40590 9.17641 2.77612 -146.87061 1010.01433
2780.0000 -155.21369 -147.27066 7.94303 2.75905 -147.14661 982.34543
2785.0000 -155.81019 -148.10414 7.70605 2.70415 -148.03404 949.64316
2790.0000 -155.10200 -146.81386 8.28814 2.69742 -148.14289 967.13945
2795.0000 -156.61308 -148.86262 7.75047 2.68351 -148.36772 934.73544
2800.0000 -155.68278 -146.22904 9.45373 2.70099 -148.08509 961.65143
2805.0000 -156.72501 -147.51936 9.20566 2.78388 -146.74517 1023.00267
2810.0000 -156.38101 -148.34866 8.03235 2.71244 -147.89998 961.95324
2815.0000 -157.23295 -149.59778 7.63517 2.66265 -148.70496 919.47414
2820.0000 -156.83661 -149.35176 7.48485 2.61857 -149.41762 886.54892
2825.0000 -156.78254 -148.11511 8.66743 2.65823 -148.77640 917.22183
2830.0000 -156.75646 -149.60967 7.14680 2.67111 -148.56821 942.54534
2835.0000 -155.95365 -148.29883 7.65482 2.66242 -148.70868 912.40400
2840.0000 -156.14509 -147.28799 8.85710 2.66882 -148.60523 920.30307
2845.0000 -156.01938 -148.61473 7.40465 2.72358 -147.72000 942.83659
2850.0000 -157.34048 -150.72142 6.61906 2.66226 -148.71122 928.70731
2855.0000 -156.10291 -149.26655 6.83636 2.55527 -150.44093 815.38974
2860.0000 -155.35464 -148.52737 6.82728 2.64470 -148.99520 878.14449
2865.0000 -155.55887 -147.87218 7.68668 2.74158 -147.42894 961.15965
2870.0000 -154.50179 -147.41806 7.08373 2.73879 -147.47405 959.13724
2875.0000 -156.52659 -149.50224 7.02435 2.65435 -148.83917 908.74539
2880.0000 -157.17711 -148.98241 8.19470 2.60059 -149.70821 857.32913
2885.0000 -155.66995 -148.19823 7.47173 2.68554 -148.33492 940.72820
2890.0000 -154.74539 -147.68752 7.05787 2.67348 -148.52990 930.13809
2895.0000 -155.43446 -147.46442 7.97005 2.71664 -147.83217 958.02730
2900.0000 -155.23289 -146.94283 8.29006 2.79836 -146.51111 1040.78320
2905.0000 -155.86184 -147.57758 8.28426 2.76216 -147.09632 977.33631
2910.0000 -155.75989 -148.29062 7.46928 2.72501 -147.69684 921.77239
2915.0000 -155.78303 -147.47507 8.30797 2.70204 -148.06819 928.87436
2920.0000 -156.93203 -149.98774 6.94429 2.67480 -148.50860 904.05184
2925.0000 -157.85790 -150.97728 6.88062 2.56942 -150.21216 874.88124
2930.0000 -157.88140 -150.82969 7.05170 2.51709 -151.05816 813.74546
2935.0000 -157.30454 -148.31947 8.98507 2.58114 -150.02273 855.51675
2940.0000 -157.11899 -149.22050 7.89849 2.66469 -148.67204 926.56271
2945.0000 -155.66860 -148.76413 6.90448 2.67265 -148.54335 943.04612
2950.0000 -153.68666 -145.29847 8.38818 2.82726 -146.04377 1004.72689
2955.0000 -154.21627 -145.70210 8.51417 2.85332 -145.62253 1021.61070
2960.0000 -154.95945 -147.21963 7.73982 2.83361 -145.94121 984.60597
2965.0000 -154.91379 -147.32816 7.58562 2.74184 -147.42484 937.75495
2970.0000 -156.88119 -148.51333 8.36786 2.69076 -148.25057 916.22197
2975.0000 -154.57165 -146.66021 7.91143 2.71115 -147.92097 917.56726
2980.0000 -155.18308 -147.27184 7.91124 2.74014 -147.45223 971.40482
2985.0000 -155.74585 -148.13542 7.61043 2.75594 -147.19677 979.49811
2990.0000 -156.38661 -149.08472 7.30189 2.69961 -148.10755 923.13439
2995.0000 -158.24890 -149.81031 8.43858 2.58189 -150.01056 840.66674
3000.0000 -156.88537 -146.79729 10.08808 2.72243 -147.73863 969.23798
FREEZING PROCESS: loop number 13 T-loop= 920.00000000000000
main_MD> interactions number 13 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.66317 -0.09320 1.63011
force_rgl> df(natom) -3.81884 0.89409 3.79194
3005.0000 -156.23681 -148.64236 7.59445 2.74322 -147.40246 993.36026
3010.0000 -156.46004 -148.48314 7.97690 2.67516 -148.50272 923.86556
3015.0000 -156.64207 -149.56896 7.07311 2.62967 -149.23815 905.58655
3020.0000 -154.92486 -147.97933 6.94552 2.67365 -148.52719 905.09078
3025.0000 -157.40257 -149.12669 8.27587 2.65309 -148.85952 904.92383
3030.0000 -155.10490 -147.08273 8.02218 2.65274 -148.86518 948.98267
3035.0000 -154.42685 -147.03722 7.38963 2.74207 -147.42097 972.06717
3040.0000 -153.55228 -145.35951 8.19278 2.78712 -146.69270 998.55416
3045.0000 -154.87843 -146.32646 8.55197 2.81209 -146.28916 996.28838
3050.0000 -155.70525 -147.59116 8.11409 2.71053 -147.93092 950.21616
3055.0000 -156.55062 -148.07224 8.47839 2.70829 -147.96717 967.51829
3060.0000 -155.40063 -148.83476 6.56586 2.66801 -148.61839 897.33110
3065.0000 -155.23406 -147.66239 7.57167 2.71829 -147.80549 932.70669
3070.0000 -157.19941 -150.76054 6.43887 2.62598 -149.29784 860.42096
3075.0000 -157.40513 -151.99831 5.40682 2.51465 -151.09765 800.16385
3080.0000 -155.53439 -150.51750 5.01689 2.49636 -151.39320 779.93186
3085.0000 -157.80816 -149.00352 8.80464 2.61837 -149.42086 867.16615
3090.0000 -156.83588 -148.31792 8.51796 2.64694 -148.95901 902.28989
3095.0000 -158.42272 -148.52224 9.90048 2.71623 -147.83885 947.64174
3100.0000 -156.60240 -148.40167 8.20073 2.67619 -148.48607 924.02041
3105.0000 -156.17983 -148.69348 7.48635 2.70393 -148.03755 947.21489
3110.0000 -154.84589 -148.73177 6.11413 2.66752 -148.62623 916.97346
3115.0000 -156.57409 -148.73267 7.84142 2.65316 -148.85832 910.57803
3120.0000 -157.34343 -150.22497 7.11846 2.59680 -149.76959 867.69337
3125.0000 -155.38572 -149.47544 5.91028 2.56922 -150.21539 849.71454
3130.0000 -156.24066 -147.64213 8.59853 2.65435 -148.83910 922.64165
3135.0000 -154.89275 -148.16353 6.72922 2.72974 -147.62044 967.98256
3140.0000 -156.86152 -148.40285 8.45867 2.65211 -148.87532 909.56569
3145.0000 -155.95301 -148.00907 7.94394 2.69809 -148.13206 951.18299
3150.0000 -157.51740 -149.96124 7.55617 2.69560 -148.17230 958.11009
3155.0000 -156.77966 -147.96376 8.81589 2.66311 -148.69759 953.42513
3160.0000 -157.21619 -149.10667 8.10951 2.62839 -149.25881 929.64933
3165.0000 -156.59717 -149.48644 7.11073 2.59267 -149.83636 874.25423
3170.0000 -154.89296 -147.44546 7.44750 2.66627 -148.64650 928.78108
3175.0000 -156.42901 -149.58097 6.84804 2.66689 -148.63641 899.14879
3180.0000 -157.51518 -148.67685 8.83834 2.66788 -148.62049 928.32228
3185.0000 -156.55234 -147.88655 8.66579 2.69054 -148.25408 935.46688
3190.0000 -156.45084 -148.93932 7.51152 2.65442 -148.83804 895.27777
3195.0000 -155.10268 -146.47626 8.62642 2.75189 -147.26237 965.36423
3200.0000 -155.23551 -147.98059 7.25492 2.78463 -146.73299 995.89079
3205.0000 -158.45750 -150.56580 7.89170 2.58423 -149.97280 867.44921
3210.0000 -157.66423 -150.41771 7.24652 2.55872 -150.38520 846.32787
3215.0000 -159.22570 -150.54884 8.67686 2.61043 -149.54918 900.19445
3220.0000 -157.16005 -150.77245 6.38760 2.57610 -150.10409 885.45741
3225.0000 -156.15902 -148.55542 7.60360 2.64720 -148.95478 894.27623
3230.0000 -156.89845 -150.67426 6.22418 2.61054 -149.54739 874.56664
3235.0000 -156.94752 -147.84084 9.10668 2.63487 -149.15400 880.48602
3240.0000 -156.63995 -148.95985 7.68010 2.70785 -147.97427 959.00555
3245.0000 -154.27763 -146.48957 7.78806 2.74285 -147.40838 970.35511
3250.0000 -155.73921 -147.83271 7.90650 2.76477 -147.05404 985.18776
FREEZING PROCESS: loop number 14 T-loop= 895.00000000000000
main_MD> interactions number 14 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.79521 2.74378 1.54967
force_rgl> df(natom) 4.86779 5.89940 -1.64884
3255.0000 -156.41261 -148.80508 7.60753 2.70885 -147.95805 952.72203
3260.0000 -156.26478 -148.69000 7.57478 2.63962 -149.07728 892.37166
3265.0000 -155.60348 -147.88893 7.71455 2.65593 -148.81357 910.88818
3270.0000 -157.48108 -149.46867 8.01241 2.62249 -149.35425 865.03213
3275.0000 -156.65998 -148.69721 7.96277 2.68385 -148.36224 942.44274
3280.0000 -157.19480 -149.37658 7.81822 2.68438 -148.35363 941.08741
3285.0000 -157.14327 -149.50026 7.64301 2.59548 -149.79092 875.43676
3290.0000 -155.88389 -148.81833 7.06556 2.65503 -148.82821 927.42597
3295.0000 -155.45075 -148.60859 6.84216 2.65381 -148.84792 901.68834
3300.0000 -158.02387 -151.44576 6.57810 2.65091 -148.89483 913.71641
3305.0000 -155.57583 -147.53528 8.04055 2.64643 -148.96724 924.07426
3310.0000 -154.51992 -148.16331 6.35661 2.65774 -148.78431 866.31735
3315.0000 -157.77580 -149.68723 8.08857 2.65780 -148.78334 911.59668
3320.0000 -156.09289 -147.73315 8.35974 2.66448 -148.67531 922.42228
3325.0000 -156.34054 -148.86975 7.47079 2.71332 -147.88586 955.03464
3330.0000 -156.30512 -148.98107 7.32405 2.65917 -148.76123 910.17917
3335.0000 -156.51754 -149.33387 7.18366 2.59351 -149.82274 877.25945
3340.0000 -156.50668 -148.23241 8.27427 2.62522 -149.31004 904.16212
3345.0000 -156.90240 -148.99106 7.91134 2.65917 -148.76118 917.66751
3350.0000 -155.08235 -148.17374 6.90861 2.66018 -148.74483 924.14486
3355.0000 -156.45793 -147.60802 8.84991 2.68376 -148.36373 942.79921
3360.0000 -157.80338 -149.82174 7.98164 2.64945 -148.91838 888.82509
3365.0000 -156.68230 -148.26604 8.41626 2.61319 -149.50460 893.39650
3370.0000 -156.42192 -149.33023 7.09169 2.64660 -148.96446 877.72226
3375.0000 -154.82531 -147.46726 7.35806 2.62479 -149.31702 858.42683
3380.0000 -155.34479 -148.17141 7.17338 2.65289 -148.86283 869.07037
3385.0000 -154.94720 -147.25254 7.69465 2.70918 -147.95274 936.68271
3390.0000 -155.76574 -148.87273 6.89300 2.69475 -148.18609 933.22174
3395.0000 -156.17747 -149.82036 6.35711 2.59405 -149.81397 866.74416
3400.0000 -157.04082 -149.44035 7.60047 2.60897 -149.57272 893.37219
3405.0000 -157.84685 -150.15236 7.69448 2.64940 -148.91914 931.13888
3410.0000 -156.00800 -149.38385 6.62415 2.57649 -150.09791 863.76054
3415.0000 -158.35203 -149.12789 9.22414 2.62850 -149.25704 899.02779
3420.0000 -157.63791 -150.47648 7.16143 2.60610 -149.61922 855.54221
3425.0000 -158.12821 -150.86707 7.26114 2.55786 -150.39910 831.61205
3430.0000 -157.91790 -151.85374 6.06416 2.47192 -151.78837 795.70876
3435.0000 -156.86748 -149.65245 7.21503 2.50919 -151.18581 812.68989
3440.0000 -154.16628 -147.82845 6.33783 2.67528 -148.50086 932.82270
3445.0000 -156.62507 -147.60466 9.02041 2.70609 -148.00274 981.32901
3450.0000 -156.24335 -147.89185 8.35150 2.70664 -147.99385 926.61079
3455.0000 -156.69833 -148.84356 7.85477 2.65167 -148.88254 900.74081
3460.0000 -156.67361 -149.93232 6.74129 2.62507 -149.31242 883.48569
3465.0000 -156.52511 -149.22795 7.29716 2.61549 -149.46745 883.46202
3470.0000 -156.35004 -148.29009 8.05995 2.65995 -148.74859 902.62804
3475.0000 -157.59775 -147.71294 9.88481 2.70657 -147.99492 942.72435
3480.0000 -155.31521 -147.85530 7.45990 2.74848 -147.31737 939.78751
3485.0000 -158.71601 -151.79366 6.92235 2.58627 -149.93969 803.46886
3490.0000 -157.24556 -150.55917 6.68639 2.50305 -151.28511 799.75701
3495.0000 -156.73941 -149.52382 7.21559 2.57552 -150.11356 823.15236
3500.0000 -155.61970 -149.76209 5.85761 2.61720 -149.43966 872.01309
FREEZING PROCESS: loop number 15 T-loop= 870.00000000000000
main_MD> interactions number 15 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.10364 0.91973 1.34874
force_rgl> df(natom) -1.90800 0.70521 0.32564
3505.0000 -156.23187 -148.20182 8.03006 2.61012 -149.55411 869.86866
3510.0000 -155.50258 -147.18488 8.31770 2.66752 -148.62621 913.17767
3515.0000 -155.48829 -147.75862 7.72967 2.71753 -147.81783 956.54592
3520.0000 -156.74359 -148.93370 7.80989 2.64103 -149.05454 874.16519
3525.0000 -155.53524 -147.64364 7.89161 2.65821 -148.77682 897.06668
3530.0000 -155.19710 -147.20833 7.98877 2.71952 -147.78567 947.37362
3535.0000 -155.75660 -147.58668 8.16991 2.70748 -147.98023 951.15739
3540.0000 -155.29213 -147.67861 7.61352 2.68345 -148.36874 934.00744
3545.0000 -156.04823 -148.81729 7.23094 2.67046 -148.57875 935.29815
3550.0000 -155.89975 -148.61821 7.28154 2.67919 -148.43756 927.69392
3555.0000 -157.38476 -150.25410 7.13067 2.60024 -149.71398 870.12011
3560.0000 -156.56870 -148.42950 8.13920 2.67969 -148.42952 913.50992
3565.0000 -156.23722 -149.66173 6.57549 2.60758 -149.59526 876.78028
3570.0000 -158.70861 -151.96579 6.74282 2.52800 -150.88180 828.91104
3575.0000 -157.72149 -152.07562 5.64586 2.48357 -151.59995 797.34244
3580.0000 -158.42731 -152.37818 6.04913 2.47461 -151.74482 805.07557
3585.0000 -158.67843 -151.75478 6.92366 2.48201 -151.62520 797.55316
3590.0000 -157.28370 -149.98472 7.29897 2.53769 -150.72507 825.60570
3595.0000 -155.68279 -148.47266 7.21013 2.63328 -149.17977 894.02152
3600.0000 -156.08210 -149.96236 6.11974 2.61713 -149.44085 874.15749
3605.0000 -158.53558 -152.30552 6.23006 2.49098 -151.48022 780.51221
3610.0000 -158.20964 -150.77182 7.43781 2.49388 -151.43332 802.90779
3615.0000 -158.95697 -151.51564 7.44133 2.48999 -151.49625 827.08980
3620.0000 -157.74262 -150.72318 7.01944 2.52297 -150.96303 833.54016
3625.0000 -156.36400 -148.01832 8.34568 2.60811 -149.58671 861.45409
3630.0000 -157.68194 -150.02980 7.65214 2.58780 -149.91499 876.72006
3635.0000 -157.80588 -149.69233 8.11354 2.55008 -150.52482 866.98828
3640.0000 -157.23563 -149.63963 7.59601 2.59440 -149.80840 875.45112
3645.0000 -155.82646 -149.32168 6.50479 2.63639 -149.12946 888.51286
3650.0000 -156.00929 -149.06109 6.94820 2.65868 -148.76912 927.60887
3655.0000 -158.82207 -150.76680 8.05526 2.59901 -149.73379 858.54041
3660.0000 -157.37198 -150.82732 6.54466 2.52109 -150.99345 828.57418
3665.0000 -157.37032 -151.46779 5.90254 2.45637 -152.03967 776.40285
3670.0000 -157.98770 -150.41857 7.56913 2.48608 -151.55941 804.25069
3675.0000 -158.24481 -151.65423 6.59057 2.47328 -151.76634 806.75330
3680.0000 -157.02214 -150.37277 6.64937 2.52791 -150.88317 849.19235
3685.0000 -156.90998 -149.87517 7.03481 2.57825 -150.06936 856.01792
3690.0000 -158.50013 -151.71952 6.78061 2.53845 -150.71281 831.89864
3695.0000 -156.48464 -151.25810 5.22654 2.48384 -151.59561 774.04606
3700.0000 -157.61048 -150.58032 7.03016 2.55176 -150.49760 834.96151
3705.0000 -159.27594 -152.10541 7.17054 2.50906 -151.18787 803.16288
3710.0000 -157.42399 -150.74055 6.68344 2.51026 -151.16852 830.06775
3715.0000 -158.40484 -150.45779 7.94705 2.53083 -150.83604 818.50804
3720.0000 -156.55952 -149.79399 6.76553 2.59751 -149.75802 855.03038
3725.0000 -156.39138 -149.48849 6.90288 2.57263 -150.16027 850.11453
3730.0000 -156.48876 -148.83889 7.64987 2.66589 -148.65256 924.13574
3735.0000 -157.03535 -148.38254 8.65281 2.65263 -148.86698 916.47507
3740.0000 -157.92196 -149.66108 8.26088 2.61990 -149.39615 899.95688
3745.0000 -157.70179 -150.68124 7.02054 2.58091 -150.02634 895.63061
3750.0000 -158.00984 -150.07448 7.93536 2.57488 -150.12393 864.04124
FREEZING PROCESS: loop number 16 T-loop= 845.00000000000000
main_MD> interactions number 16 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.40026 -3.91339 -5.20017
force_rgl> df(natom) -5.11896 0.39641 3.28289
3755.0000 -156.95191 -150.77583 6.17608 2.60355 -149.66044 864.29777
3760.0000 -158.09956 -150.73538 7.36418 2.58419 -149.97343 875.13312
3765.0000 -159.69167 -151.55937 8.13230 2.52752 -150.88955 850.65652
3770.0000 -157.81866 -150.96672 6.85194 2.54388 -150.62505 854.89970
3775.0000 -157.27470 -150.62342 6.65128 2.55002 -150.52574 831.46913
3780.0000 -155.63524 -149.02549 6.60975 2.57927 -150.05299 866.08060
3785.0000 -155.29129 -147.94189 7.34940 2.65394 -148.84574 882.83332
3790.0000 -157.16224 -149.95859 7.20366 2.64969 -148.91450 940.44232
3795.0000 -157.44188 -150.00752 7.43436 2.55296 -150.47820 824.26075
3800.0000 -157.42662 -150.70464 6.72198 2.55076 -150.51377 848.98306
3805.0000 -157.76617 -150.16988 7.59630 2.56340 -150.30951 862.22181
3810.0000 -159.18849 -151.39081 7.79768 2.50627 -151.23297 806.74500
3815.0000 -157.37365 -151.53250 5.84115 2.48652 -151.55238 782.99444
3820.0000 -159.27070 -152.89023 6.38047 2.49025 -151.49198 794.32529
3825.0000 -156.17482 -149.44153 6.73328 2.53736 -150.73047 822.87872
3830.0000 -155.26368 -149.45747 5.80621 2.62021 -149.39112 886.63774
3835.0000 -156.31360 -148.75029 7.56331 2.66013 -148.74579 883.71133
3840.0000 -156.69909 -149.10738 7.59171 2.62417 -149.32712 889.61944
3845.0000 -157.50488 -148.83848 8.66640 2.60232 -149.68031 875.60971
3850.0000 -157.31961 -148.83562 8.48400 2.63519 -149.14891 905.02669
3855.0000 -155.84523 -148.14080 7.70443 2.62789 -149.26694 887.67582
3860.0000 -156.02348 -148.10154 7.92194 2.73460 -147.54174 969.58628
3865.0000 -156.20934 -149.23792 6.97142 2.68542 -148.33684 922.10358
3870.0000 -156.56770 -150.22249 6.34521 2.63794 -149.10437 903.96681
3875.0000 -158.43415 -151.34088 7.09328 2.54249 -150.64757 813.13550
3880.0000 -156.64824 -149.69071 6.95753 2.55849 -150.38889 838.52469
3885.0000 -157.26013 -149.70456 7.55558 2.62821 -149.26167 912.32948
3890.0000 -158.22802 -149.68027 8.54775 2.61714 -149.44063 901.21787
3895.0000 -156.28467 -148.85588 7.42879 2.66319 -148.69630 926.18009
3900.0000 -157.79995 -150.01691 7.78304 2.61572 -149.46369 890.75073
3905.0000 -157.49053 -150.03919 7.45134 2.58677 -149.93164 861.41166
3910.0000 -155.94360 -149.18306 6.76054 2.63212 -149.19855 908.44832
3915.0000 -158.27006 -150.94675 7.32331 2.51623 -151.07205 817.15784
3920.0000 -159.60123 -152.65670 6.94453 2.45648 -152.03790 796.92733
3925.0000 -157.84563 -149.98313 7.86250 2.50105 -151.31738 822.47993
3930.0000 -157.12479 -149.61112 7.51367 2.61842 -149.42000 852.76742
3935.0000 -157.38778 -150.25990 7.12788 2.59051 -149.87120 901.20653
3940.0000 -156.98786 -149.72331 7.26455 2.56541 -150.27702 871.85488
3945.0000 -158.30860 -151.44054 6.86806 2.57564 -150.11155 851.31570
3950.0000 -157.76925 -150.29184 7.47741 2.51451 -151.09992 826.94768
3955.0000 -157.46486 -151.26931 6.19555 2.51236 -151.13453 832.69080
3960.0000 -157.42701 -150.63177 6.79524 2.48170 -151.63030 808.31479
3965.0000 -155.68718 -148.23210 7.45508 2.63923 -149.08352 908.27426
3970.0000 -155.65531 -148.06961 7.58571 2.68957 -148.26983 923.96052
3975.0000 -157.79989 -149.94231 7.85758 2.61074 -149.54410 913.56424
3980.0000 -159.29730 -151.30582 7.99148 2.48637 -151.55470 831.21405
3985.0000 -157.59440 -150.38328 7.21112 2.51391 -151.10960 843.82987
3990.0000 -157.65165 -151.89698 5.75467 2.54597 -150.59125 807.49075
3995.0000 -158.43720 -150.93780 7.49940 2.48782 -151.53136 792.75895
4000.0000 -156.44799 -149.00551 7.44248 2.55648 -150.42142 866.96612
FREEZING PROCESS: loop number 17 T-loop= 820.00000000000000
main_MD> interactions number 17 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.81130 1.24018 -0.73268
force_rgl> df(natom) 1.12889 1.79911 -2.31129
4005.0000 -156.45132 -148.06287 8.38845 2.68929 -148.27434 931.16181
4010.0000 -157.91126 -150.57546 7.33580 2.65115 -148.89081 910.77627
4015.0000 -158.72442 -152.01630 6.70811 2.54183 -150.65822 837.47933
4020.0000 -157.86290 -152.28890 5.57400 2.46060 -151.97140 779.79072
4025.0000 -157.93994 -150.99251 6.94743 2.48972 -151.50067 793.87374
4030.0000 -157.75525 -151.81953 5.93572 2.50735 -151.21555 790.68744
4035.0000 -157.90309 -151.80844 6.09465 2.47561 -151.72874 782.93853
4040.0000 -157.02561 -151.36392 5.66168 2.49163 -151.46974 790.55752
4045.0000 -157.57112 -150.61112 6.95999 2.55151 -150.50174 847.43967
4050.0000 -156.83748 -149.01281 7.82467 2.62002 -149.39418 893.48148
4055.0000 -157.89471 -150.66252 7.23218 2.56005 -150.36356 844.64486
4060.0000 -157.72167 -150.42877 7.29291 2.53525 -150.76450 835.55784
4065.0000 -158.02646 -151.69664 6.32982 2.53761 -150.72646 843.44514
4070.0000 -159.24311 -151.12802 8.11509 2.48271 -151.61398 783.50812
4075.0000 -158.96143 -153.02850 5.93293 2.47935 -151.66827 799.21852
4080.0000 -159.06673 -152.28750 6.77924 2.44238 -152.26587 788.16349
4085.0000 -158.67481 -153.58217 5.09264 2.41334 -152.73536 721.47275
4090.0000 -160.36824 -153.25196 7.11628 2.38013 -153.27230 717.08930
4095.0000 -158.39153 -152.40657 5.98496 2.42135 -152.60581 749.60526
4100.0000 -158.68051 -152.48677 6.19374 2.40864 -152.81133 765.48114
4105.0000 -159.38070 -152.95135 6.42935 2.39829 -152.97861 783.45970
4110.0000 -158.68042 -151.49653 7.18389 2.45881 -152.00030 789.57207
4115.0000 -158.21186 -151.75940 6.45246 2.45683 -152.03236 807.57480
4120.0000 -157.66996 -149.47075 8.19921 2.51829 -151.03875 833.09080
4125.0000 -156.66684 -150.17462 6.49222 2.59887 -149.73600 898.64649
4130.0000 -158.25563 -152.57141 5.68422 2.49068 -151.48509 782.86620
4135.0000 -156.63507 -150.13624 6.49883 2.52641 -150.90746 808.78244
4140.0000 -158.59260 -151.20340 7.38921 2.54651 -150.58254 824.75662
4145.0000 -157.20911 -150.24721 6.96190 2.51653 -151.06720 838.60805
4150.0000 -157.87812 -150.56873 7.30938 2.56190 -150.33378 837.36403
4155.0000 -156.62893 -151.09249 5.53644 2.52823 -150.87805 792.61858
4160.0000 -158.60370 -150.52730 8.07640 2.54042 -150.68097 864.45334
4165.0000 -158.29179 -150.95204 7.33976 2.56774 -150.23938 831.93468
4170.0000 -157.51236 -151.12111 6.39124 2.50437 -151.26376 815.39689
4175.0000 -158.44413 -151.31176 7.13237 2.48122 -151.63795 822.93521
4180.0000 -157.19504 -150.68882 6.50622 2.50606 -151.23638 822.29023
4185.0000 -158.44783 -151.58309 6.86475 2.54754 -150.56594 847.70203
4190.0000 -157.96491 -151.66132 6.30358 2.47421 -151.75136 796.74275
4195.0000 -159.36450 -151.81238 7.55212 2.40914 -152.80330 764.17874
4200.0000 -156.03188 -150.16844 5.86344 2.54342 -150.63248 828.35139
4205.0000 -158.39126 -152.08669 6.30457 2.54240 -150.64899 831.93880
4210.0000 -158.58353 -151.70020 6.88333 2.49426 -151.42715 820.17174
4215.0000 -157.83162 -151.44807 6.38355 2.43371 -152.40614 763.97312
4220.0000 -158.25153 -151.40813 6.84340 2.50346 -151.27849 795.34493
4225.0000 -158.65801 -152.72408 5.93393 2.42532 -152.54176 738.10639
4230.0000 -157.46583 -151.64850 5.81733 2.45378 -152.08156 786.32712
4235.0000 -156.77029 -150.65607 6.11423 2.54541 -150.60030 816.32762
4240.0000 -155.98282 -149.24437 6.73845 2.56563 -150.27341 849.09245
4245.0000 -157.17557 -151.09847 6.07710 2.54713 -150.57243 827.03281
4250.0000 -157.50253 -150.98303 6.51950 2.52167 -150.98405 826.33351
FREEZING PROCESS: loop number 18 T-loop= 795.00000000000000
main_MD> interactions number 18 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19586 2.09886 -3.47674
force_rgl> df(natom) 1.09170 -0.69718 3.85456
4255.0000 -156.67041 -150.40542 6.26499 2.54369 -150.62806 827.66822
4260.0000 -157.24883 -150.52947 6.71936 2.54890 -150.54385 835.91977
4265.0000 -157.23495 -150.86526 6.36970 2.52151 -150.98672 800.44327
4270.0000 -157.29623 -149.75053 7.54570 2.49476 -151.41918 777.64850
4275.0000 -158.52929 -151.77291 6.75639 2.58998 -149.87981 882.22535
4280.0000 -158.26131 -152.01489 6.24642 2.45008 -152.14145 804.33771
4285.0000 -158.25548 -153.17866 5.07682 2.40263 -152.90848 728.58184
4290.0000 -158.78569 -153.17779 5.60790 2.38536 -153.18776 742.18939
4295.0000 -158.37201 -151.78073 6.59128 2.41489 -152.71039 736.78613
4300.0000 -157.15544 -148.61227 8.54317 2.61038 -149.54994 864.46633
4305.0000 -157.93015 -150.53497 7.39518 2.56297 -150.31637 865.55937
4310.0000 -158.39949 -150.76173 7.63776 2.53855 -150.71122 843.87177
4315.0000 -157.33014 -151.63420 5.69595 2.50056 -151.32530 822.47055
4320.0000 -156.46504 -150.38913 6.07591 2.52428 -150.94189 825.86012
4325.0000 -156.28819 -150.00494 6.28325 2.50041 -151.32783 805.04478
4330.0000 -157.73231 -150.56649 7.16582 2.59874 -149.73816 876.70539
4335.0000 -158.99169 -151.04883 7.94286 2.50072 -151.32275 805.85448
4340.0000 -159.17053 -152.99267 6.17786 2.45722 -152.02604 763.56966
4345.0000 -159.00426 -153.66691 5.33735 2.35603 -153.66189 735.38758
4350.0000 -159.55787 -152.16574 7.39213 2.37430 -153.36658 748.80430
4355.0000 -158.19697 -152.02128 6.17568 2.44918 -152.15592 770.67737
4360.0000 -156.57910 -150.34790 6.23120 2.51879 -151.03069 805.54916
4365.0000 -158.54450 -151.68619 6.85831 2.52410 -150.94488 811.20314
4370.0000 -159.78405 -151.97001 7.81404 2.52484 -150.93277 822.72855
4375.0000 -157.68666 -151.53042 6.15624 2.49285 -151.45001 818.14774
4380.0000 -157.54808 -149.92535 7.62273 2.52208 -150.97744 851.27530
4385.0000 -159.98102 -152.79973 7.18129 2.47613 -151.72035 821.81464
4390.0000 -159.22650 -152.94346 6.28304 2.38965 -153.11842 757.92886
4395.0000 -158.74145 -152.33651 6.40494 2.42884 -152.48485 781.44711
4400.0000 -157.13634 -151.19850 5.93785 2.47187 -151.78923 804.00128
4405.0000 -156.67532 -151.60677 5.06855 2.51932 -151.02209 813.76999
4410.0000 -158.87345 -152.37755 6.49590 2.46409 -151.91487 749.80672
4415.0000 -157.70475 -150.77583 6.92892 2.49362 -151.43757 769.00765
4420.0000 -158.51058 -151.00418 7.50639 2.55267 -150.48298 848.99286
4425.0000 -158.27209 -152.16448 6.10761 2.50901 -151.18870 814.69504
4430.0000 -157.35018 -149.71943 7.63075 2.51693 -151.06075 833.95327
4435.0000 -157.49070 -151.02649 6.46422 2.53577 -150.75607 818.41865
4440.0000 -157.73234 -151.02784 6.70450 2.51711 -151.05786 809.79371
4445.0000 -158.88775 -150.90569 7.98206 2.49604 -151.39845 796.81542
4450.0000 -158.01295 -151.16757 6.84538 2.50581 -151.24049 816.30733
4455.0000 -157.39278 -151.02894 6.36384 2.51878 -151.03085 833.63826
4460.0000 -157.99941 -151.66736 6.33205 2.47072 -151.80772 765.37827
4465.0000 -158.33409 -151.45482 6.87927 2.48740 -151.53807 791.64480
4470.0000 -156.34060 -150.34558 5.99501 2.55001 -150.52587 854.49300
4475.0000 -156.60684 -150.10284 6.50400 2.59993 -149.71898 845.94444
4480.0000 -157.45015 -149.75629 7.69386 2.55936 -150.37472 853.00685
4485.0000 -157.90106 -151.69205 6.20901 2.56832 -150.22989 834.70745
4490.0000 -157.49276 -150.35708 7.13568 2.47299 -151.77109 786.09426
4495.0000 -158.59755 -151.10071 7.49685 2.55423 -150.45777 838.38455
4500.0000 -157.76616 -151.70323 6.06293 2.50762 -151.21118 814.02969
FREEZING PROCESS: loop number 19 T-loop= 770.00000000000000
main_MD> interactions number 19 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.03892 -0.89204 0.92885
force_rgl> df(natom) 0.62589 -3.08548 0.53864
4505.0000 -157.12142 -150.22064 6.90078 2.46312 -151.93063 786.56782
4510.0000 -158.61387 -151.53001 7.08385 2.52182 -150.98167 845.50890
4515.0000 -157.40195 -150.46343 6.93853 2.51377 -151.11177 790.15350
4520.0000 -157.99910 -151.68786 6.31124 2.48573 -151.56509 773.57603
4525.0000 -157.64539 -150.91741 6.72798 2.49257 -151.45453 767.90007
4530.0000 -158.98858 -151.71495 7.27364 2.48275 -151.61327 798.61181
4535.0000 -158.24143 -151.43610 6.80533 2.52191 -150.98019 825.03710
4540.0000 -157.93432 -152.18516 5.74916 2.43883 -152.32334 737.95014
4545.0000 -158.60171 -151.98050 6.62121 2.46185 -151.95114 769.13182
4550.0000 -157.63755 -152.08962 5.54793 2.46650 -151.87594 783.50651
4555.0000 -159.14476 -152.39607 6.74869 2.45073 -152.13092 811.58235
4560.0000 -159.45866 -153.42290 6.03576 2.39684 -153.00217 733.68514
4565.0000 -159.68962 -153.60940 6.08022 2.37116 -153.41724 690.64459
4570.0000 -159.03044 -153.89484 5.13559 2.35155 -153.73430 698.18873
4575.0000 -158.15086 -152.48418 5.66668 2.36813 -153.46630 711.47570
4580.0000 -159.64776 -152.89028 6.75748 2.43472 -152.38976 757.01551
4585.0000 -158.74755 -152.03598 6.71158 2.43632 -152.36380 801.20768
4590.0000 -159.14146 -152.92157 6.21989 2.40269 -152.90757 760.60866
4595.0000 -160.02614 -153.99084 6.03530 2.38026 -153.27018 750.87844
4600.0000 -159.52731 -153.73267 5.79464 2.30893 -154.42322 684.17796
4605.0000 -159.22955 -153.55551 5.67404 2.35916 -153.61121 724.15969
4610.0000 -159.48506 -153.42802 6.05704 2.38883 -153.13169 717.61552
4615.0000 -159.29956 -152.13594 7.16362 2.39358 -153.05488 751.29244
4620.0000 -158.37685 -152.09154 6.28531 2.42787 -152.50050 775.80249
4625.0000 -158.30167 -151.93495 6.36672 2.47009 -151.81794 806.43854
4630.0000 -157.40424 -150.61797 6.78626 2.43670 -152.35771 747.20368
4635.0000 -159.80212 -153.07197 6.73015 2.48311 -151.60749 756.86076
4640.0000 -159.69489 -153.68669 6.00820 2.37953 -153.28198 737.12829
4645.0000 -158.32373 -152.02440 6.29933 2.43114 -152.44757 739.82432
4650.0000 -159.43170 -153.29858 6.13312 2.45279 -152.09760 755.54620
4655.0000 -158.04707 -151.20910 6.83797 2.43971 -152.30909 757.24336
4660.0000 -157.52902 -151.50165 6.02737 2.50196 -151.30277 806.71102
4665.0000 -158.34271 -153.07963 5.26308 2.47300 -151.77097 804.45224
4670.0000 -159.26950 -153.15474 6.11477 2.45932 -151.99203 785.85041
4675.0000 -159.26978 -153.47156 5.79822 2.37285 -153.38994 704.33192
4680.0000 -159.07979 -153.78196 5.29783 2.34373 -153.86068 685.52252
4685.0000 -159.09029 -153.01891 6.07138 2.35737 -153.64025 729.78348
4690.0000 -158.95980 -153.51179 5.44801 2.32049 -154.23642 695.12615
4695.0000 -158.35100 -152.61758 5.73342 2.40252 -152.91035 745.90505
4700.0000 -159.03906 -151.93952 7.09954 2.44599 -152.20759 759.80471
4705.0000 -158.79788 -152.52648 6.27140 2.44259 -152.26250 771.70380
4710.0000 -158.86702 -152.48475 6.38227 2.44473 -152.22786 786.60263
4715.0000 -160.07257 -154.11467 5.95790 2.38111 -153.25645 728.58974
4720.0000 -159.50830 -152.62185 6.88645 2.35517 -153.67569 695.10665
4725.0000 -159.96596 -152.24369 7.72226 2.36934 -153.44673 730.70555
4730.0000 -159.00157 -152.55148 6.45009 2.43796 -152.33738 782.35296
4735.0000 -158.81493 -152.09349 6.72144 2.44643 -152.20037 761.97398
4740.0000 -158.68184 -151.64934 7.03250 2.52632 -150.90890 848.98253
4745.0000 -159.26730 -151.18156 8.08573 2.47153 -151.79463 784.17578
4750.0000 -158.79753 -152.61155 6.18599 2.44261 -152.26223 780.34893
FREEZING PROCESS: loop number 20 T-loop= 745.00000000000000
main_MD> interactions number 20 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60613 3.69886 0.01996
force_rgl> df(natom) 1.47209 0.53663 -0.32606
4755.0000 -158.90978 -153.23636 5.67341 2.39608 -153.01448 727.53280
4760.0000 -159.10239 -153.02140 6.08099 2.36723 -153.48086 714.05761
4765.0000 -159.32043 -153.57613 5.74430 2.38603 -153.17692 723.99240
4770.0000 -160.29243 -153.18529 7.10714 2.34933 -153.77014 721.25014
4775.0000 -160.24297 -154.31534 5.92763 2.36640 -153.49415 723.46486
4780.0000 -158.81614 -153.13190 5.68424 2.33980 -153.92425 685.75360
4785.0000 -158.39209 -152.17454 6.21754 2.46535 -151.89454 796.88902
4790.0000 -158.73273 -151.92557 6.80716 2.47005 -151.81861 794.00155
4795.0000 -158.02813 -151.89058 6.13755 2.47044 -151.81225 780.29682
4800.0000 -157.68168 -151.42314 6.25854 2.47703 -151.70581 781.86324
4805.0000 -157.60681 -151.47826 6.12855 2.51431 -151.10307 797.61283
4810.0000 -158.38843 -153.02478 5.36365 2.45267 -152.09952 772.24952
4815.0000 -160.17647 -153.82358 6.35289 2.41595 -152.69311 739.20639
4820.0000 -159.17418 -154.08948 5.08470 2.36323 -153.54543 707.83016
4825.0000 -160.13172 -154.14822 5.98351 2.36977 -153.43972 714.00525
4830.0000 -160.75168 -153.45491 7.29677 2.36838 -153.46226 732.61696
4835.0000 -159.27938 -154.16050 5.11888 2.35365 -153.70029 723.64569
4840.0000 -159.19666 -152.90060 6.29606 2.35116 -153.74055 714.69098
4845.0000 -160.22784 -153.79813 6.42971 2.37057 -153.42685 716.61938
4850.0000 -159.51485 -153.98506 5.52980 2.34813 -153.78960 677.99700
4855.0000 -159.98395 -153.46049 6.52347 2.39035 -153.10707 737.06082
4860.0000 -159.87647 -153.88989 5.98658 2.35063 -153.74923 698.89588
4865.0000 -158.70791 -153.41149 5.29642 2.34442 -153.84956 697.93975
4870.0000 -160.35766 -154.62212 5.73554 2.29691 -154.61755 670.76432
4875.0000 -158.49668 -152.93564 5.56104 2.38248 -153.23420 752.07401
4880.0000 -158.10501 -151.85420 6.25081 2.44965 -152.14845 729.92703
4885.0000 -157.13425 -151.26393 5.87032 2.48243 -151.61846 787.56729
4890.0000 -158.01666 -151.73647 6.28019 2.49113 -151.47781 784.48015
4895.0000 -158.59541 -151.64003 6.95538 2.46708 -151.86666 785.89428
4900.0000 -158.72871 -152.31688 6.41183 2.47106 -151.80219 788.01970
4905.0000 -158.90786 -152.44822 6.45963 2.42210 -152.59384 783.77515
4910.0000 -157.85804 -152.46827 5.38977 2.44025 -152.30030 751.19090
4915.0000 -158.49707 -153.00849 5.48858 2.43881 -152.32369 776.96492
4920.0000 -158.30295 -152.17293 6.13002 2.39768 -152.98858 742.64554
4925.0000 -158.36860 -153.50847 4.86013 2.42780 -152.50163 739.04566
4930.0000 -159.78399 -153.79207 5.99192 2.31977 -154.24810 670.14639
4935.0000 -159.05517 -153.58640 5.46876 2.35423 -153.69096 711.19682
4940.0000 -160.01332 -153.52172 6.49160 2.37337 -153.38159 704.92277
4945.0000 -158.96177 -153.16030 5.80147 2.34945 -153.76829 699.67079
4950.0000 -160.08218 -152.85133 7.23086 2.36658 -153.49123 710.67144
4955.0000 -160.96868 -155.53085 5.43783 2.31440 -154.33488 691.84722
4960.0000 -160.16804 -153.61837 6.54967 2.32520 -154.16026 710.34378
4965.0000 -159.91407 -153.88382 6.03025 2.33673 -153.97390 694.13506
4970.0000 -158.71407 -151.95194 6.76214 2.43339 -152.41124 737.43960
4975.0000 -158.94507 -151.95604 6.98903 2.44926 -152.15467 770.10082
4980.0000 -157.84947 -151.48257 6.36690 2.44216 -152.26945 758.19579
4985.0000 -158.67388 -153.04660 5.62728 2.44602 -152.20702 775.83698
4990.0000 -159.34632 -152.98440 6.36193 2.40657 -152.84484 748.00269
4995.0000 -159.29753 -152.86696 6.43057 2.38725 -153.15721 727.23052
5000.0000 -159.66899 -153.75243 5.91656 2.39548 -153.02410 727.61870
FREEZING PROCESS: loop number 21 T-loop= 720.00000000000000
main_MD> interactions number 21 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.19747 1.94292 -2.79461
force_rgl> df(natom) 0.78345 -0.04903 0.88558
5005.0000 -159.16541 -151.86101 7.30440 2.43050 -152.45796 756.42323
5010.0000 -159.70368 -152.96556 6.73812 2.42398 -152.56335 770.30670
5015.0000 -159.64596 -153.71834 5.92762 2.40019 -152.94790 724.61690
5020.0000 -159.17517 -152.67421 6.50096 2.37952 -153.28218 711.56824
5025.0000 -159.09369 -153.75773 5.33596 2.34367 -153.86173 685.27524
5030.0000 -159.62657 -153.90505 5.72153 2.36963 -153.44196 720.74358
5035.0000 -159.93852 -155.30513 4.63339 2.32870 -154.10371 696.72817
5040.0000 -159.48079 -153.53053 5.95026 2.33977 -153.92468 696.27108
5045.0000 -158.17858 -151.83685 6.34173 2.43123 -152.44616 749.77817
5050.0000 -159.97748 -153.56603 6.41145 2.43831 -152.33170 759.58018
5055.0000 -158.28134 -152.66577 5.61557 2.32458 -154.17028 687.31232
5060.0000 -159.14197 -153.89676 5.24521 2.43100 -152.44989 787.41537
5065.0000 -158.17858 -153.46311 4.71547 2.33216 -154.04779 677.48744
5070.0000 -160.74772 -155.15154 5.59617 2.30469 -154.49178 652.05360
5075.0000 -160.16547 -155.23716 4.92831 2.22040 -155.85447 611.32212
5080.0000 -160.07286 -154.79161 5.28125 2.30652 -154.46221 655.22746
5085.0000 -159.63010 -154.24692 5.38318 2.27713 -154.93730 666.37268
5090.0000 -161.47902 -155.52214 5.95688 2.25347 -155.31993 666.22754
5095.0000 -160.08187 -153.40521 6.67666 2.32195 -154.21276 675.27797
5100.0000 -159.92073 -153.46792 6.45282 2.38011 -153.27252 735.16182
5105.0000 -160.75159 -155.12961 5.62199 2.29202 -154.69672 674.61048
5110.0000 -161.32712 -155.42736 5.89976 2.23289 -155.65252 638.70197
5115.0000 -158.74745 -152.57412 6.17333 2.32741 -154.12457 700.99411
5120.0000 -159.47528 -152.36112 7.11416 2.42789 -152.50023 747.73179
5125.0000 -159.44225 -152.55060 6.89165 2.41571 -152.69712 754.42490
5130.0000 -158.41148 -152.50787 5.90361 2.39765 -152.98899 730.22690
5135.0000 -158.61823 -153.58704 5.03119 2.38734 -153.15563 726.38348
5140.0000 -159.42392 -154.28018 5.14374 2.33764 -153.95913 705.33069
5145.0000 -160.35677 -155.32663 5.03014 2.27927 -154.90282 658.98312
5150.0000 -161.33118 -154.78901 6.54217 2.22732 -155.74254 628.36834
5155.0000 -159.52829 -154.63601 4.89228 2.32683 -154.13388 699.49709
5160.0000 -160.28186 -153.97112 6.31074 2.29112 -154.71127 653.27740
5165.0000 -159.58489 -153.20724 6.37765 2.33330 -154.02930 710.30655
5170.0000 -159.20638 -152.99315 6.21323 2.38377 -153.21348 742.11282
5175.0000 -157.82058 -151.72309 6.09749 2.44910 -152.15726 768.99958
5180.0000 -157.48017 -150.82318 6.65699 2.51769 -151.04838 811.03022
5185.0000 -159.67558 -153.47395 6.20163 2.42829 -152.49365 754.85540
5190.0000 -159.47566 -153.97188 5.50378 2.35782 -153.63290 727.44922
5195.0000 -159.55070 -153.84886 5.70184 2.35070 -153.74805 714.11570
5200.0000 -161.31516 -155.38333 5.93183 2.30844 -154.43125 664.86797
5205.0000 -158.82558 -153.44339 5.38219 2.34224 -153.88474 686.64495
5210.0000 -158.97222 -152.13895 6.83327 2.41241 -152.75047 733.54058
5215.0000 -159.74132 -153.17083 6.57049 2.39891 -152.96867 729.04563
5220.0000 -158.09228 -152.23738 5.85490 2.40508 -152.86895 752.92381
5225.0000 -159.32767 -153.65944 5.66823 2.41319 -152.73783 737.42401
5230.0000 -158.45758 -152.62309 5.83450 2.41973 -152.63204 764.00597
5235.0000 -160.28394 -153.23324 7.05069 2.43009 -152.46452 760.02124
5240.0000 -159.43889 -152.43737 7.00152 2.39124 -153.09259 737.17721
5245.0000 -159.85385 -154.19092 5.66292 2.40751 -152.82967 744.89293
5250.0000 -159.36794 -153.38563 5.98230 2.31922 -154.25689 671.05738
FREEZING PROCESS: loop number 22 T-loop= 695.00000000000000
main_MD> interactions number 22 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03900 0.06629 2.18950
force_rgl> df(natom) -3.62523 1.51340 0.11728
5255.0000 -159.62851 -153.72039 5.90812 2.38647 -153.16977 705.35714
5260.0000 -158.64799 -151.98416 6.66382 2.37824 -153.30288 726.06659
5265.0000 -159.50031 -153.36011 6.14020 2.44211 -152.27035 751.33405
5270.0000 -159.59489 -153.04575 6.54914 2.37947 -153.28290 726.06446
5275.0000 -159.09401 -152.33195 6.76207 2.43604 -152.36842 754.11174
5280.0000 -159.69303 -154.08031 5.61271 2.34672 -153.81236 702.98083
5285.0000 -160.32892 -153.97820 6.35072 2.35114 -153.74092 709.07544
5290.0000 -160.74413 -154.04212 6.70200 2.31550 -154.31716 667.90325
5295.0000 -160.27655 -155.00190 5.27466 2.29019 -154.72617 652.22180
5300.0000 -160.91285 -154.21384 6.69901 2.28256 -154.84955 646.35644
5305.0000 -159.17749 -153.63775 5.53974 2.32053 -154.23578 713.50802
5310.0000 -159.39108 -152.79623 6.59485 2.36795 -153.46910 745.18588
5315.0000 -159.45044 -153.84505 5.60538 2.38265 -153.23146 726.94989
5320.0000 -158.69019 -152.62200 6.06819 2.34386 -153.85854 683.87974
5325.0000 -160.07424 -153.14159 6.93264 2.40179 -152.92209 732.13825
5330.0000 -159.46790 -153.48484 5.98307 2.35724 -153.64226 728.46364
5335.0000 -160.81048 -155.13110 5.67938 2.35075 -153.74723 710.34852
5340.0000 -159.30691 -154.04649 5.26041 2.32218 -154.20913 671.61827
5345.0000 -159.98037 -154.65961 5.32076 2.34162 -153.89482 673.95820
5350.0000 -159.86657 -154.93696 4.92961 2.28227 -154.85428 654.08891
5355.0000 -160.58603 -153.56991 7.01611 2.29588 -154.63433 670.72920
5360.0000 -158.10530 -151.61978 6.48552 2.40139 -152.92854 716.20717
5365.0000 -159.15658 -153.15712 5.99946 2.40552 -152.86181 744.13162
5370.0000 -160.22773 -153.60055 6.62718 2.33922 -153.93363 735.63414
5375.0000 -160.34505 -154.07471 6.27034 2.34674 -153.81208 742.58207
5380.0000 -159.18576 -153.42722 5.75854 2.31562 -154.31509 691.70232
5385.0000 -160.47016 -154.43159 6.03857 2.33631 -153.98067 681.47899
5390.0000 -161.44731 -155.55650 5.89081 2.24547 -155.44927 638.45487
5395.0000 -160.24451 -155.27647 4.96805 2.27230 -155.01541 663.00935
5400.0000 -159.52365 -154.27626 5.24739 2.29186 -154.69929 642.43681
5405.0000 -160.87231 -155.71557 5.15674 2.24891 -155.39362 623.60489
5410.0000 -159.74113 -154.62585 5.11528 2.28805 -154.76080 683.43743
5415.0000 -160.03033 -153.92971 6.10062 2.27989 -154.89278 670.53330
5420.0000 -159.81987 -153.58679 6.23308 2.35473 -153.68284 740.99425
5425.0000 -160.32809 -154.51317 5.81491 2.36567 -153.50607 702.67183
5430.0000 -160.35551 -154.06752 6.28799 2.30239 -154.52898 676.94616
5435.0000 -159.59624 -153.17702 6.41922 2.36322 -153.54568 710.79792
5440.0000 -158.83974 -152.85044 5.98930 2.39968 -152.95629 728.56884
5445.0000 -159.54698 -153.51270 6.03428 2.42437 -152.55710 766.28059
5450.0000 -160.37169 -153.70613 6.66556 2.33030 -154.07785 720.91594
5455.0000 -160.21813 -154.43186 5.78627 2.32594 -154.14838 726.18122
5460.0000 -160.22717 -154.28345 5.94371 2.29862 -154.59003 666.12771
5465.0000 -160.04816 -154.54814 5.50002 2.30147 -154.54396 673.79859
5470.0000 -160.71027 -154.37772 6.33255 2.31377 -154.34497 663.43810
5475.0000 -160.61755 -154.91893 5.69863 2.27044 -155.04552 652.03910
5480.0000 -161.49919 -156.51016 4.98902 2.22796 -155.73227 630.17399
5485.0000 -160.34746 -154.27358 6.07388 2.25998 -155.21468 641.87696
5490.0000 -159.83688 -153.99467 5.84221 2.28570 -154.79887 673.68434
5495.0000 -159.42944 -153.71534 5.71410 2.39475 -153.03585 750.48664
5500.0000 -160.07623 -154.33835 5.73788 2.32039 -154.23800 700.66850
FREEZING PROCESS: loop number 23 T-loop= 670.00000000000000
main_MD> interactions number 23 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97671 0.95339 1.32040
force_rgl> df(natom) -0.60410 2.40544 0.80437
5505.0000 -159.77372 -153.40166 6.37206 2.37500 -153.35522 742.51577
5510.0000 -160.86879 -154.70951 6.15928 2.32106 -154.22719 697.83304
5515.0000 -159.75882 -154.72686 5.03195 2.29060 -154.71967 687.11370
5520.0000 -160.29107 -153.91911 6.37196 2.29028 -154.72477 686.77896
5525.0000 -161.15282 -155.23149 5.92133 2.28325 -154.83845 664.82549
5530.0000 -160.28832 -155.39237 4.89595 2.24000 -155.53757 651.56229
5535.0000 -160.06342 -154.58903 5.47438 2.28106 -154.87391 635.74357
5540.0000 -159.46467 -154.09666 5.36801 2.31508 -154.32391 658.26922
5545.0000 -160.20490 -154.48665 5.71825 2.24193 -155.50642 634.96170
5550.0000 -161.23029 -155.48362 5.74667 2.28165 -154.86427 672.95334
5555.0000 -160.72778 -156.32437 4.40341 2.22713 -155.74566 632.59331
5560.0000 -160.85348 -154.92961 5.92387 2.24886 -155.39448 656.48904
5565.0000 -160.44047 -155.45704 4.98343 2.28382 -154.82918 672.56350
5570.0000 -160.49851 -155.22871 5.26980 2.26828 -155.08047 653.13122
5575.0000 -160.77341 -154.66687 6.10654 2.29945 -154.57662 671.68321
5580.0000 -159.82720 -153.63655 6.19065 2.30922 -154.41865 674.23447
5585.0000 -159.74327 -154.17065 5.57262 2.34961 -153.76561 702.86065
5590.0000 -159.55116 -154.07697 5.47419 2.30356 -154.51013 669.83747
5595.0000 -160.17329 -154.80950 5.36378 2.28971 -154.73396 647.68608
5600.0000 -159.83112 -154.27476 5.55636 2.31564 -154.31485 688.39446
5605.0000 -160.67638 -154.24290 6.43347 2.29796 -154.60058 679.88443
5610.0000 -160.51926 -154.45456 6.06470 2.30834 -154.43290 686.69703
5615.0000 -159.45330 -153.40619 6.04711 2.34518 -153.83728 699.86397
5620.0000 -160.38102 -154.93142 5.44959 2.29202 -154.69663 666.65103
5625.0000 -160.49967 -155.34011 5.15956 2.26769 -155.08992 633.42301
5630.0000 -159.98774 -154.59077 5.39697 2.25590 -155.28060 627.20399
5635.0000 -159.20583 -154.27355 4.93228 2.29571 -154.63701 642.06808
5640.0000 -159.56067 -154.22271 5.33796 2.30698 -154.45475 637.45459
5645.0000 -160.65035 -155.52659 5.12376 2.28635 -154.78826 652.30339
5650.0000 -161.29583 -155.26088 6.03495 2.22615 -155.76150 619.28583
5655.0000 -160.88980 -154.16331 6.72649 2.27315 -155.00180 650.11663
5660.0000 -160.52604 -153.64526 6.88078 2.33515 -153.99939 694.61039
5665.0000 -159.12934 -152.71370 6.41564 2.36747 -153.47692 712.58610
5670.0000 -159.38316 -153.45379 5.92937 2.40414 -152.88412 758.70053
5675.0000 -160.19928 -154.39425 5.80503 2.33599 -153.98584 688.80815
5680.0000 -161.14770 -155.54517 5.60253 2.24887 -155.39431 631.16830
5685.0000 -161.70100 -156.01191 5.68909 2.25851 -155.23844 659.50797
5690.0000 -160.46171 -154.30024 6.16147 2.25427 -155.30696 665.93637
5695.0000 -159.33597 -154.39428 4.94169 2.31173 -154.37803 700.90948
5700.0000 -160.56599 -155.11363 5.45236 2.28893 -154.74669 660.97211
5705.0000 -161.06518 -155.77892 5.28626 2.22675 -155.75189 598.22448
5710.0000 -160.11543 -154.82600 5.28942 2.22093 -155.84597 607.66596
5715.0000 -160.24118 -154.59234 5.64884 2.28966 -154.73482 665.56520
5720.0000 -160.83227 -155.13046 5.70181 2.28099 -154.87494 667.60633
5725.0000 -159.96254 -154.50746 5.45508 2.28509 -154.80864 692.07361
5730.0000 -160.48566 -154.93663 5.54903 2.26468 -155.13862 681.93355
5735.0000 -160.62048 -155.67211 4.94838 2.26355 -155.15695 658.60196
5740.0000 -160.31645 -155.66848 4.64797 2.23556 -155.60945 632.23190
5745.0000 -159.77940 -154.28864 5.49076 2.28763 -154.76762 663.31624
5750.0000 -161.15157 -154.94455 6.20702 2.27393 -154.98916 675.66494
FREEZING PROCESS: loop number 24 T-loop= 645.00000000000000
main_MD> interactions number 24 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41628 -0.09931 1.73377
force_rgl> df(natom) -0.04510 -2.72221 0.38200
5755.0000 -161.10878 -155.54686 5.56192 2.22224 -155.82470 631.40016
5760.0000 -160.59422 -155.23356 5.36065 2.23999 -155.53785 629.12266
5765.0000 -160.80322 -155.17379 5.62942 2.26844 -155.07783 658.98647
5770.0000 -161.55482 -156.54839 5.00644 2.23006 -155.69831 638.65275
5775.0000 -160.18122 -153.86421 6.31700 2.25611 -155.27720 650.51434
5780.0000 -159.97268 -155.61205 4.36063 2.27275 -155.00819 643.20912
5785.0000 -159.49972 -154.32936 5.17036 2.28669 -154.78284 663.52118
5790.0000 -160.34649 -155.98526 4.36124 2.30911 -154.42031 690.30364
5795.0000 -161.75458 -155.99857 5.75601 2.21856 -155.88430 609.04881
5800.0000 -160.56781 -155.18790 5.37992 2.24737 -155.41856 648.75566
5805.0000 -161.49405 -156.98554 4.50851 2.17630 -156.56745 589.37955
5810.0000 -161.53126 -156.25368 5.27758 2.15907 -156.84604 579.01795
5815.0000 -161.91943 -157.38604 4.53339 2.14914 -157.00643 583.77786
5820.0000 -162.07775 -157.33660 4.74114 2.13349 -157.25951 584.75243
5825.0000 -161.81136 -156.98929 4.82206 2.16923 -156.68167 596.05942
5830.0000 -161.82392 -156.47753 5.34639 2.17163 -156.64298 597.34241
5835.0000 -161.51504 -155.88419 5.63085 2.21319 -155.97111 614.31273
5840.0000 -160.73275 -154.89907 5.83368 2.24822 -155.40477 649.28138
5845.0000 -160.95083 -154.85824 6.09258 2.26493 -155.13464 646.16322
5850.0000 -160.35497 -155.13478 5.22019 2.27325 -155.00011 649.28210
5855.0000 -160.84694 -155.14873 5.69821 2.29438 -154.65850 653.30034
5860.0000 -160.67021 -155.29679 5.37342 2.26885 -155.07129 664.82443
5865.0000 -161.04313 -154.82827 6.21486 2.26262 -155.17201 654.48926
5870.0000 -160.80400 -154.97622 5.82778 2.30994 -154.40698 695.84037
5875.0000 -161.04780 -155.29877 5.74903 2.25190 -155.34533 646.43061
5880.0000 -160.98559 -155.62901 5.35658 2.24076 -155.52541 649.44939
5885.0000 -160.22614 -154.49333 5.73281 2.27084 -155.03912 696.03184
5890.0000 -161.16023 -156.27663 4.88360 2.27170 -155.02514 691.94619
5895.0000 -161.30174 -156.08568 5.21606 2.22505 -155.77938 619.32823
5900.0000 -161.82252 -155.96023 5.86230 2.20115 -156.16566 591.52027
5905.0000 -161.47649 -155.76902 5.70746 2.20251 -156.14365 616.33618
5910.0000 -161.46425 -155.43141 6.03284 2.22579 -155.76730 643.47888
5915.0000 -161.05605 -155.81926 5.23679 2.23350 -155.64269 668.00445
5920.0000 -160.87608 -155.82926 5.04682 2.20232 -156.14672 637.61843
5925.0000 -159.68916 -154.55226 5.13690 2.26545 -155.12627 670.49767
5930.0000 -160.52742 -155.63408 4.89334 2.26809 -155.08346 660.58007
5935.0000 -159.98969 -154.10860 5.88109 2.31029 -154.40139 696.43040
5940.0000 -160.44853 -154.56035 5.88818 2.27675 -154.94355 651.14682
5945.0000 -162.23931 -157.23324 5.00606 2.20466 -156.10892 628.83618
5950.0000 -161.98422 -157.10222 4.88200 2.12173 -157.44960 563.80293
5955.0000 -161.50150 -157.40283 4.09868 2.15117 -156.97364 570.42257
5960.0000 -161.53103 -156.67486 4.85617 2.14519 -157.07037 593.20122
5965.0000 -161.83459 -156.73523 5.09936 2.17724 -156.55223 595.24518
5970.0000 -161.46502 -156.20767 5.25735 2.19125 -156.32569 615.72552
5975.0000 -160.97969 -156.12124 4.85845 2.18168 -156.48047 621.12345
5980.0000 -160.11219 -154.94753 5.16466 2.26919 -155.06582 660.28362
5985.0000 -160.62572 -155.91821 4.70750 2.28398 -154.82667 674.45380
5990.0000 -161.41991 -155.09473 6.32518 2.25843 -155.23961 633.87167
5995.0000 -160.84523 -155.75612 5.08910 2.27330 -154.99930 667.29446
6000.0000 -162.31775 -157.19807 5.11968 2.22467 -155.78551 632.22067
FREEZING PROCESS: loop number 25 T-loop= 620.00000000000000
main_MD> interactions number 25 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05398 -0.92072 0.65035
force_rgl> df(natom) -2.60913 -1.21696 -0.83433
6005.0000 -161.59042 -157.38791 4.20251 2.12614 -157.37824 540.89435
6010.0000 -161.25345 -156.19004 5.06341 2.15282 -156.94702 571.83735
6015.0000 -161.32055 -156.44006 4.88050 2.20286 -156.13811 622.71453
6020.0000 -161.63336 -156.95261 4.68075 2.16544 -156.74292 567.59970
6025.0000 -160.80184 -155.40936 5.39247 2.19992 -156.18566 579.46039
6030.0000 -160.36679 -155.73152 4.63527 2.17759 -156.54653 587.68778
6035.0000 -161.97145 -156.52456 5.44689 2.21245 -155.98299 610.81088
6040.0000 -161.32219 -156.58121 4.74097 2.21644 -155.91851 611.78536
6045.0000 -160.96956 -155.65777 5.31179 2.19627 -156.24464 629.66139
6050.0000 -161.13670 -156.08060 5.05610 2.17194 -156.63791 590.42549
6055.0000 -162.09719 -156.42421 5.67298 2.20750 -156.06308 643.04859
6060.0000 -161.49493 -156.80466 4.69028 2.17823 -156.53622 593.77257
6065.0000 -161.14307 -156.05796 5.08512 2.16168 -156.80375 583.31260
6070.0000 -161.22706 -155.83425 5.39281 2.22893 -155.71659 624.67868
6075.0000 -160.52691 -155.71295 4.81396 2.23118 -155.68026 608.13633
6080.0000 -161.50744 -156.25376 5.25367 2.20477 -156.10714 606.01287
6085.0000 -160.75762 -156.12789 4.62973 2.22255 -155.81966 592.41346
6090.0000 -158.75589 -154.08660 4.66929 2.26556 -155.12439 633.08702
6095.0000 -160.43140 -155.01879 5.41261 2.33166 -154.05577 696.88020
6100.0000 -161.50121 -156.61924 4.88197 2.19415 -156.27883 612.08570
6105.0000 -161.36136 -155.59059 5.77077 2.20266 -156.14130 640.11177
6110.0000 -161.77704 -156.73537 5.04167 2.20114 -156.16592 630.43409
6115.0000 -161.73474 -156.22491 5.50983 2.20407 -156.11846 622.17738
6120.0000 -161.46613 -156.23430 5.23183 2.18407 -156.44183 617.81972
6125.0000 -160.77600 -155.75033 5.02567 2.21401 -155.95785 628.29245
6130.0000 -161.59153 -156.14451 5.44703 2.24172 -155.50975 626.91749
6135.0000 -160.35265 -153.98391 6.36875 2.28352 -154.83405 660.49173
6140.0000 -160.30367 -154.03741 6.26626 2.34733 -153.80244 720.13902
6145.0000 -159.98959 -155.31458 4.67501 2.30752 -154.44614 696.28399
6150.0000 -159.60906 -154.46401 5.14505 2.25988 -155.21626 634.75440
6155.0000 -160.28053 -155.41928 4.86125 2.27064 -155.04230 626.76468
6160.0000 -159.92771 -154.45436 5.47336 2.29538 -154.64229 644.17295
6165.0000 -160.07335 -154.70358 5.36976 2.28780 -154.76493 650.89107
6170.0000 -160.29001 -155.68675 4.60325 2.24287 -155.49128 601.29941
6175.0000 -161.34793 -156.75920 4.58873 2.16722 -156.71425 564.69444
6180.0000 -161.29012 -155.38338 5.90675 2.22565 -155.76965 629.08187
6185.0000 -159.69190 -154.17243 5.51947 2.26415 -155.14715 660.29286
6190.0000 -159.67341 -154.82104 4.85238 2.27605 -154.95485 631.65910
6195.0000 -160.07169 -155.27161 4.80008 2.29154 -154.70442 631.96593
6200.0000 -161.30130 -156.02660 5.27470 2.20560 -156.09382 582.49891
6205.0000 -160.56387 -155.74973 4.81415 2.18857 -156.36906 594.65903
6210.0000 -161.03220 -155.04090 5.99130 2.28991 -154.73070 686.44659
6215.0000 -160.09036 -154.55528 5.53508 2.27989 -154.89283 655.27063
6220.0000 -161.43401 -156.60294 4.83108 2.23761 -155.57623 631.30223
6225.0000 -160.89029 -156.26336 4.62692 2.21450 -155.94989 643.55650
6230.0000 -161.46000 -156.45821 5.00178 2.19535 -156.25938 622.71993
6235.0000 -161.98049 -156.70102 5.27947 2.16608 -156.73261 585.40092
6240.0000 -161.74176 -156.35074 5.39102 2.13396 -157.25190 608.25435
6245.0000 -162.05146 -157.49327 4.55818 2.19594 -156.24999 650.25388
6250.0000 -162.21337 -157.23278 4.98059 2.11481 -157.56153 578.97930
FREEZING PROCESS: loop number 26 T-loop= 595.00000000000000
main_MD> interactions number 26 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91252 -0.68760 -1.24185
force_rgl> df(natom) 2.84748 2.21777 -1.02899
6255.0000 -162.73708 -158.29255 4.44452 2.10914 -157.65307 548.85821
6260.0000 -162.19676 -156.97637 5.22039 2.11597 -157.54267 546.22536
6265.0000 -161.80950 -156.24860 5.56090 2.17397 -156.60504 629.63172
6270.0000 -162.38387 -157.03676 5.34710 2.17178 -156.64057 606.56740
6275.0000 -161.81241 -157.10357 4.70884 2.15449 -156.91995 591.66809
6280.0000 -161.45137 -156.90813 4.54324 2.16251 -156.79032 606.43161
6285.0000 -161.21675 -155.72963 5.48712 2.18189 -156.47710 602.60141
6290.0000 -161.64627 -156.10865 5.53762 2.23012 -155.69736 618.76301
6295.0000 -160.79144 -155.96102 4.83042 2.20210 -156.15041 613.49171
6300.0000 -161.48297 -155.93353 5.54944 2.22445 -155.78895 642.63118
6305.0000 -162.16289 -156.80895 5.35393 2.16124 -156.81091 607.61097
6310.0000 -160.43342 -155.38466 5.04875 2.22843 -155.72460 608.35663
6315.0000 -160.81231 -155.98918 4.82312 2.23802 -155.56971 634.37830
6320.0000 -161.66410 -157.13088 4.53322 2.19103 -156.32926 575.98502
6325.0000 -161.78157 -155.89797 5.88360 2.20171 -156.15663 596.08746
6330.0000 -160.31876 -155.12444 5.19432 2.21514 -155.93957 596.31031
6335.0000 -161.01760 -156.15978 4.85782 2.25220 -155.34036 617.90008
6340.0000 -161.52110 -156.34608 5.17502 2.21544 -155.93471 588.58785
6345.0000 -160.90138 -155.71131 5.19008 2.22459 -155.78682 587.02957
6350.0000 -160.87012 -155.76299 5.10713 2.22373 -155.80071 595.50107
6355.0000 -161.18957 -155.76190 5.42766 2.25990 -155.21597 661.71146
6360.0000 -160.44438 -154.73887 5.70551 2.24785 -155.41075 636.88245
6365.0000 -162.02781 -156.48907 5.53874 2.22569 -155.76893 662.78381
6370.0000 -162.57931 -157.51565 5.06366 2.17412 -156.60271 640.53035
6375.0000 -162.14053 -157.16756 4.97297 2.10119 -157.78160 584.18450
6380.0000 -161.23452 -155.62769 5.60683 2.15858 -156.85385 574.42580
6385.0000 -160.11701 -154.90969 5.20732 2.24936 -155.38626 624.69877
6390.0000 -159.78627 -154.66612 5.12015 2.31504 -154.32447 696.44251
6395.0000 -160.10385 -154.46546 5.63840 2.28564 -154.79975 672.86596
6400.0000 -161.19711 -155.96590 5.23122 2.23221 -155.66359 594.08441
6405.0000 -160.49984 -154.21262 6.28723 2.26295 -155.16656 623.50464
6410.0000 -160.39211 -154.52064 5.87147 2.28867 -154.75076 655.16994
6415.0000 -161.29827 -155.73376 5.56451 2.24713 -155.42239 649.34243
6420.0000 -161.61920 -155.84896 5.77024 2.23432 -155.62950 645.34336
6425.0000 -161.72896 -156.73546 4.99350 2.18937 -156.35609 586.35587
6430.0000 -161.46546 -156.61729 4.84817 2.19502 -156.26476 572.42632
6435.0000 -160.71960 -155.82466 4.89494 2.18504 -156.42608 587.75231
6440.0000 -161.57393 -157.12382 4.45010 2.21374 -155.96211 616.18467
6445.0000 -162.58277 -158.00644 4.57633 2.12170 -157.45008 570.99999
6450.0000 -162.26117 -156.96365 5.29752 2.13484 -157.23770 558.62261
6455.0000 -161.36912 -156.64651 4.72261 2.18917 -156.35944 600.55277
6460.0000 -160.84767 -156.68953 4.15814 2.13899 -157.17066 572.43526
6465.0000 -161.61620 -156.88574 4.73046 2.14666 -157.04666 594.30035
6470.0000 -161.98547 -157.32079 4.66468 2.14602 -157.05694 565.86479
6475.0000 -161.82996 -157.13873 4.69122 2.16963 -156.67528 584.84663
6480.0000 -160.83843 -155.85097 4.98746 2.19516 -156.26252 592.90840
6485.0000 -161.78223 -157.03532 4.74691 2.17788 -156.54191 594.88234
6490.0000 -161.37144 -155.57903 5.79241 2.16406 -156.76525 592.10609
6495.0000 -161.50753 -156.10989 5.39763 2.21059 -156.01310 631.66202
6500.0000 -161.43348 -156.83450 4.59898 2.18937 -156.35609 621.11969
FREEZING PROCESS: loop number 27 T-loop= 570.00000000000000
main_MD> interactions number 27 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.26942 -0.69618 -1.66944
force_rgl> df(natom) 0.29835 0.28819 2.04253
6505.0000 -162.22930 -156.67829 5.55100 2.18466 -156.43233 610.75223
6510.0000 -162.16022 -157.30449 4.85573 2.14545 -157.06620 570.75029
6515.0000 -161.95822 -157.08195 4.87627 2.10324 -157.74847 558.56043
6520.0000 -162.10255 -157.59201 4.51054 2.14463 -157.07936 555.23638
6525.0000 -161.63722 -157.28813 4.34909 2.11248 -157.59922 516.45829
6530.0000 -161.41378 -156.38903 5.02475 2.18053 -156.49911 577.47180
6535.0000 -161.33818 -156.89211 4.44607 2.16856 -156.69258 565.60721
6540.0000 -161.34264 -157.34926 3.99338 2.15198 -156.96066 571.08384
6545.0000 -160.82434 -155.95506 4.86928 2.18959 -156.35254 587.72254
6550.0000 -161.58784 -156.20072 5.38712 2.15519 -156.90877 580.56862
6555.0000 -160.98531 -155.42637 5.55894 2.22092 -155.84611 635.29759
6560.0000 -161.68851 -156.61322 5.07529 2.23489 -155.62027 623.20384
6565.0000 -160.88898 -156.42216 4.46682 2.18421 -156.43960 582.41546
6570.0000 -161.91129 -157.01034 4.90095 2.17594 -156.57320 569.97618
6575.0000 -162.41496 -157.27761 5.13735 2.15677 -156.88315 585.34244
6580.0000 -162.43140 -157.12609 5.30531 2.13083 -157.30249 584.25181
6585.0000 -161.60975 -156.89217 4.71757 2.14266 -157.11132 570.87790
6590.0000 -161.81560 -156.54540 5.27020 2.16209 -156.79711 581.24294
6595.0000 -160.87968 -156.37903 4.50065 2.19050 -156.33783 616.07534
6600.0000 -162.28825 -157.26579 5.02246 2.14490 -157.07507 567.40470
6605.0000 -162.88842 -158.00534 4.88307 2.10511 -157.71828 568.32233
6610.0000 -161.89715 -157.08563 4.81152 2.14141 -157.13145 581.35308
6615.0000 -162.46542 -157.15807 5.30735 2.16934 -156.67987 591.14265
6620.0000 -162.53818 -158.44017 4.09801 2.11776 -157.51376 543.54229
6625.0000 -162.01822 -157.04533 4.97289 2.10772 -157.67607 525.79333
6630.0000 -160.66286 -155.96265 4.70021 2.17297 -156.62129 561.47065
6635.0000 -160.67702 -154.98500 5.69202 2.22029 -155.85620 568.43619
6640.0000 -161.56016 -156.88583 4.67433 2.20658 -156.07791 576.02459
6645.0000 -160.90931 -156.80658 4.10273 2.18588 -156.41257 564.24330
6650.0000 -160.98321 -156.19063 4.79258 2.17147 -156.64552 566.34150
6655.0000 -161.14641 -156.52611 4.62030 2.19887 -156.20260 609.93757
6660.0000 -161.34403 -156.59227 4.75177 2.19378 -156.28480 591.44043
6665.0000 -161.81936 -158.02913 3.79022 2.12716 -157.36186 540.05065
6670.0000 -162.53507 -157.88723 4.64784 2.09541 -157.87510 539.37026
6675.0000 -162.34798 -156.89375 5.45423 2.15299 -156.94421 582.00639
6680.0000 -161.41599 -155.83009 5.58590 2.18189 -156.47711 604.89775
6685.0000 -161.65055 -156.37457 5.27598 2.18625 -156.40659 596.17454
6690.0000 -161.56692 -156.35245 5.21448 2.18610 -156.40898 574.44425
6695.0000 -162.12405 -156.55094 5.57311 2.17043 -156.66232 589.62755
6700.0000 -161.35521 -156.17882 5.17640 2.21516 -155.93915 617.12012
6705.0000 -161.50554 -157.51722 3.98833 2.12438 -157.40671 544.43554
6710.0000 -162.31523 -157.84658 4.46865 2.11645 -157.53503 536.66016
6715.0000 -161.95860 -158.09801 3.86059 2.07588 -158.19078 508.19345
6720.0000 -162.07297 -158.08277 3.99020 2.09037 -157.95654 522.40573
6725.0000 -161.76010 -156.69670 5.06341 2.14960 -156.99908 557.29085
6730.0000 -160.63648 -155.87289 4.76359 2.22153 -155.83626 613.16953
6735.0000 -161.83272 -156.88972 4.94300 2.21174 -155.99447 606.31352
6740.0000 -161.91824 -156.57468 5.34355 2.16020 -156.82769 575.54042
6745.0000 -162.00846 -156.88990 5.11857 2.18511 -156.42497 636.74341
6750.0000 -160.76691 -157.01519 3.75172 2.15823 -156.85956 578.74921
FREEZING PROCESS: loop number 28 T-loop= 545.00000000000000
main_MD> interactions number 28 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.22054 -1.04594 2.01576
force_rgl> df(natom) 1.91348 4.86345 -4.11547
6755.0000 -161.98885 -157.16793 4.82092 2.13531 -157.23007 553.89708
6760.0000 -161.92394 -156.89468 5.02926 2.14745 -157.03380 565.39152
6765.0000 -161.17324 -157.14277 4.03047 2.15016 -156.99008 559.57250
6770.0000 -161.45430 -157.13477 4.31954 2.12754 -157.35565 550.91517
6775.0000 -160.81399 -156.42348 4.39051 2.15876 -156.85099 564.61586
6780.0000 -162.47678 -157.87308 4.60370 2.12787 -157.35034 556.18658
6785.0000 -161.73437 -156.76180 4.97257 2.11345 -157.58342 533.03199
6790.0000 -161.82495 -157.61276 4.21219 2.14714 -157.03885 567.22103
6795.0000 -162.12151 -157.83113 4.29038 2.12107 -157.46032 538.65236
6800.0000 -162.05708 -156.95568 5.10140 2.08763 -158.00087 520.11128
6805.0000 -162.49416 -157.73041 4.76375 2.10760 -157.67797 546.64994
6810.0000 -162.66004 -157.84300 4.81704 2.13329 -157.26275 569.56305
6815.0000 -162.58792 -157.74218 4.84573 2.10746 -157.68030 528.66829
6820.0000 -162.40353 -158.67519 3.72834 2.10234 -157.76309 533.62814
6825.0000 -161.26123 -156.20814 5.05310 2.10929 -157.65078 521.45493
6830.0000 -161.53364 -157.45186 4.08178 2.14238 -157.11581 535.24981
6835.0000 -161.52743 -156.58414 4.94329 2.11639 -157.53596 516.37243
6840.0000 -161.15437 -156.62567 4.52870 2.18289 -156.46085 579.36122
6845.0000 -163.47049 -158.83570 4.63480 2.11879 -157.49713 568.48377
6850.0000 -162.43201 -157.28227 5.14974 2.04836 -158.63566 527.57475
6855.0000 -161.96871 -157.61246 4.35626 2.10866 -157.66092 569.98766
6860.0000 -162.80640 -158.27611 4.53029 2.11255 -157.59805 564.61897
6865.0000 -162.19896 -157.91273 4.28624 2.07694 -158.17369 527.49055
6870.0000 -162.53780 -157.59574 4.94206 2.09584 -157.86810 534.40194
6875.0000 -162.66996 -158.27338 4.39659 2.09606 -157.86467 552.45648
6880.0000 -162.10974 -157.13107 4.97867 2.08457 -158.05032 548.26088
6885.0000 -162.21732 -157.33789 4.87943 2.11546 -157.55098 582.43931
6890.0000 -162.87323 -158.04035 4.83288 2.11119 -157.61999 576.02548
6895.0000 -162.51455 -157.91912 4.59543 2.10682 -157.69066 578.21356
6900.0000 -161.94848 -157.45049 4.49799 2.12313 -157.42705 571.59598
6905.0000 -163.12606 -158.53649 4.58956 2.09129 -157.94165 516.88391
6910.0000 -162.07610 -157.38524 4.69086 2.08478 -158.04697 547.46165
6915.0000 -161.51597 -156.74487 4.77110 2.17317 -156.61799 608.54663
6920.0000 -162.95154 -158.06185 4.88968 2.11806 -157.50891 546.67126
6925.0000 -162.86197 -157.57411 5.28786 2.11525 -157.55430 548.26866
6930.0000 -162.76359 -157.83877 4.92482 2.11718 -157.52316 554.48346
6935.0000 -161.51394 -157.05961 4.45433 2.11848 -157.50215 526.05394
6940.0000 -162.10194 -157.87457 4.22737 2.08222 -158.08837 524.27911
6945.0000 -161.57582 -158.01714 3.55868 2.09578 -157.86912 523.34596
6950.0000 -162.44842 -158.10280 4.34562 2.08787 -157.99707 520.95475
6955.0000 -162.77129 -157.86839 4.90290 2.08647 -158.01958 512.80998
6960.0000 -161.63894 -157.26599 4.37295 2.09323 -157.91031 535.67098
6965.0000 -162.41345 -158.10431 4.30915 2.08067 -158.11342 526.44066
6970.0000 -162.13086 -157.77879 4.35207 2.11290 -157.59241 553.68791
6975.0000 -162.15450 -157.18583 4.96868 2.13218 -157.28062 570.78546
6980.0000 -160.95279 -156.28117 4.67163 2.13957 -157.16128 562.06859
6985.0000 -162.35860 -158.70451 3.65409 2.12286 -157.43141 546.24721
6990.0000 -161.76777 -157.67099 4.09678 2.08611 -158.02549 521.72397
6995.0000 -161.90520 -156.89532 5.00988 2.13468 -157.24021 545.52351
7000.0000 -161.79475 -157.17821 4.61655 2.11836 -157.50415 543.10964
FREEZING PROCESS: loop number 29 T-loop= 520.00000000000000
main_MD> interactions number 29 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.14561 -1.83745 0.59654
force_rgl> df(natom) 1.52391 2.71689 -0.75989
7005.0000 -162.98650 -158.90477 4.08173 2.06163 -158.42125 513.24691
7010.0000 -162.01232 -157.82530 4.18703 2.04652 -158.66547 486.98970
7015.0000 -161.66334 -157.33697 4.32637 2.12704 -157.36375 530.44596
7020.0000 -161.88626 -157.39245 4.49381 2.11648 -157.53444 538.71346
7025.0000 -162.38827 -158.58002 3.80825 2.10345 -157.74519 527.82412
7030.0000 -162.90451 -159.04462 3.85989 2.03885 -158.78953 485.32020
7035.0000 -162.22750 -157.96766 4.25984 2.07831 -158.15159 514.33074
7040.0000 -163.81679 -159.69857 4.11823 2.01859 -159.11702 481.26509
7045.0000 -163.35894 -159.42801 3.93093 2.01921 -159.10693 482.03475
7050.0000 -163.07642 -158.43025 4.64617 2.03795 -158.80404 508.38708
7055.0000 -162.58286 -157.85586 4.72700 2.06057 -158.43831 532.47571
7060.0000 -163.46563 -158.49052 4.97511 2.08660 -158.01749 533.53787
7065.0000 -163.00023 -158.84673 4.15351 2.03931 -158.78211 498.77695
7070.0000 -162.86735 -159.36146 3.50590 2.03758 -158.80999 508.35585
7075.0000 -162.79700 -158.53445 4.26254 2.02121 -159.07466 504.38258
7080.0000 -162.88791 -157.73033 5.15758 2.11042 -157.63243 555.56371
7085.0000 -161.55329 -156.87331 4.67998 2.14289 -157.10761 579.90406
7090.0000 -162.12110 -157.42773 4.69337 2.11454 -157.56592 543.28799
7095.0000 -163.72648 -158.49543 5.23106 2.08511 -158.04161 529.56474
7100.0000 -163.38657 -158.44177 4.94480 2.06940 -158.29551 542.66957
7105.0000 -162.80494 -158.47621 4.32874 2.07877 -158.14416 552.84344
7110.0000 -163.33272 -158.56202 4.77069 2.03386 -158.87018 531.84585
7115.0000 -164.36611 -160.26933 4.09677 2.00317 -159.36623 517.89556
7120.0000 -163.61689 -159.53782 4.07907 1.97425 -159.83386 478.57179
7125.0000 -164.17306 -159.50462 4.66844 2.01506 -159.17404 522.04146
7130.0000 -162.97509 -159.02700 3.94810 2.02041 -159.08764 530.95400
7135.0000 -162.88965 -158.92198 3.96767 2.03995 -158.77177 531.84060
7140.0000 -163.55312 -159.03452 4.51860 2.01767 -159.13180 499.97053
7145.0000 -162.69289 -158.11014 4.58275 2.03846 -158.79576 494.96496
7150.0000 -164.19408 -159.31381 4.88027 2.02854 -158.95612 511.78043
7155.0000 -163.67649 -159.73969 3.93681 1.99052 -159.57076 488.47266
7160.0000 -163.09019 -158.66389 4.42630 2.02027 -159.08979 502.33993
7165.0000 -162.66876 -158.60167 4.06708 2.06581 -158.35364 529.30656
7170.0000 -163.00285 -159.00456 3.99829 2.05583 -158.51490 511.88545
7175.0000 -163.04141 -158.22841 4.81300 2.02335 -159.04003 477.59097
7180.0000 -162.69586 -158.00854 4.68732 2.08537 -158.03734 512.83208
7185.0000 -163.33805 -158.57874 4.75931 2.07304 -158.23670 530.36608
7190.0000 -162.86208 -158.49205 4.37003 2.04740 -158.65129 526.28000
7195.0000 -162.95530 -158.95846 3.99684 2.04138 -158.74853 517.91734
7200.0000 -161.99210 -157.91078 4.08132 2.07402 -158.22083 529.37807
7205.0000 -162.97819 -158.61346 4.36473 2.07566 -158.19433 527.00590
7210.0000 -162.43938 -158.70044 3.73894 2.04334 -158.71690 516.13999
7215.0000 -163.38300 -159.53492 3.84809 1.99548 -159.49056 470.84869
7220.0000 -163.49599 -159.31829 4.17770 1.99207 -159.54569 472.92649
7225.0000 -163.15233 -159.47709 3.67524 2.01320 -159.20407 491.83413
7230.0000 -163.25508 -158.99583 4.25925 1.97407 -159.83670 488.15200
7235.0000 -164.39173 -159.73569 4.65604 1.99221 -159.54349 502.73541
7240.0000 -163.17989 -158.85155 4.32834 1.99551 -159.49004 482.70588
7245.0000 -163.09886 -158.34970 4.74916 2.04946 -158.61793 522.42413
7250.0000 -163.47670 -159.16653 4.31017 2.06386 -158.38521 561.55534
FREEZING PROCESS: loop number 30 T-loop= 495.00000000000000
main_MD> interactions number 30 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.06823 1.31741 0.90364
force_rgl> df(natom) 1.06925 0.18694 0.79582
7255.0000 -163.72634 -159.32610 4.40023 2.00998 -159.25615 498.25828
7260.0000 -164.05498 -160.14020 3.91478 1.98548 -159.65231 484.29964
7265.0000 -163.02073 -158.59487 4.42586 1.98622 -159.64026 482.38143
7270.0000 -163.94898 -160.38021 3.56877 1.97247 -159.86262 457.85993
7275.0000 -163.91289 -159.87465 4.03824 1.95553 -160.13638 440.82278
7280.0000 -163.55317 -159.79882 3.75435 1.96402 -159.99912 468.49780
7285.0000 -163.51574 -159.53743 3.97831 1.97308 -159.85271 475.77036
7290.0000 -164.03244 -160.83224 3.20020 1.99097 -159.56355 492.66195
7295.0000 -164.12122 -160.69723 3.42399 1.89449 -161.12328 410.18572
7300.0000 -163.53256 -159.53770 3.99486 1.95631 -160.12381 452.38775
7305.0000 -163.72344 -160.09120 3.63224 1.99167 -159.55227 482.34731
7310.0000 -164.09297 -160.08619 4.00678 1.96889 -159.92039 469.91800
7315.0000 -163.76815 -160.11700 3.65114 1.96104 -160.04733 473.37315
7320.0000 -164.79935 -160.66152 4.13782 1.92920 -160.56212 461.03974
7325.0000 -164.94991 -161.06732 3.88259 1.91395 -160.80871 451.18812
7330.0000 -164.39023 -160.63819 3.75204 1.90581 -160.94028 446.84763
7335.0000 -164.95226 -161.80670 3.14556 1.90371 -160.97416 440.55904
7340.0000 -164.53746 -160.48987 4.04759 1.91778 -160.74669 450.89992
7345.0000 -164.64706 -161.34192 3.30515 1.88243 -161.31814 421.40659
7350.0000 -164.95410 -160.23620 4.71791 1.93034 -160.54362 464.79253
7355.0000 -164.42958 -159.83915 4.59043 1.95946 -160.07291 486.02819
7360.0000 -164.61820 -160.15813 4.46006 1.95619 -160.12571 479.70972
7365.0000 -163.46963 -159.01183 4.45780 1.98434 -159.67074 508.75656
7370.0000 -164.38722 -160.27341 4.11381 1.97923 -159.75327 484.03595
7375.0000 -164.08908 -160.13396 3.95512 1.93990 -160.38911 454.82247
7380.0000 -164.45162 -160.09456 4.35705 1.93514 -160.46604 458.14927
7385.0000 -163.86816 -159.43226 4.43590 1.99970 -159.42244 497.38179
7390.0000 -162.74210 -158.08995 4.65215 2.02359 -159.03613 494.16727
7395.0000 -163.01430 -158.91463 4.09967 2.07191 -158.25503 524.90555
7400.0000 -164.35502 -160.27848 4.07654 1.97160 -159.87658 470.61966
7405.0000 -163.68136 -159.83424 3.84712 1.96192 -160.03307 461.10038
7410.0000 -163.79327 -159.12156 4.67171 2.01408 -159.18990 513.04850
7415.0000 -163.24615 -159.62232 3.62383 2.00035 -159.41180 490.33602
7420.0000 -163.19093 -158.66421 4.52673 2.00664 -159.31017 508.17526
7425.0000 -162.93684 -159.06979 3.86705 2.04670 -158.66256 520.56221
7430.0000 -163.33473 -159.18477 4.14996 2.00653 -159.31190 489.77772
7435.0000 -163.88641 -159.52303 4.36338 2.01716 -159.14006 515.40606
7440.0000 -163.45607 -159.68377 3.77230 1.98376 -159.68000 491.44559
7445.0000 -162.93616 -158.26191 4.67425 2.04229 -158.73378 523.15462
7450.0000 -162.14503 -157.46223 4.68280 2.10689 -157.68953 583.51661
7455.0000 -163.04353 -157.86255 5.18098 2.10334 -157.74684 570.22772
7460.0000 -162.38933 -158.19176 4.19756 2.05907 -158.46252 521.26932
7465.0000 -162.36641 -157.81829 4.54812 2.08499 -158.04362 521.39064
7470.0000 -163.31333 -158.41036 4.90297 2.07251 -158.24524 546.47557
7475.0000 -163.60600 -159.38583 4.22017 2.06177 -158.41895 545.27828
7480.0000 -163.72516 -158.83097 4.89419 2.03049 -158.92462 534.17999
7485.0000 -163.37215 -159.24489 4.12726 2.03009 -158.93112 519.90604
7490.0000 -163.37705 -159.44432 3.93273 2.00286 -159.37122 506.21074
7495.0000 -163.88961 -159.15211 4.73750 1.97289 -159.85582 482.83337
7500.0000 -162.96538 -159.22329 3.74209 2.01657 -159.14973 522.64052
FREEZING PROCESS: loop number 31 T-loop= 470.00000000000000
main_MD> interactions number 31 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.12419 -0.72366 2.14996
force_rgl> df(natom) -0.72830 -1.41189 -0.70997
7505.0000 -164.71651 -160.25697 4.45953 1.96273 -160.02000 467.64552
7510.0000 -164.71473 -161.17231 3.54242 1.90932 -160.88341 440.08704
7515.0000 -164.92177 -160.95942 3.96234 1.87260 -161.47705 401.77071
7520.0000 -163.33273 -159.98303 3.34970 1.94451 -160.31462 460.81133
7525.0000 -164.13514 -160.02885 4.10629 1.94209 -160.35379 453.70107
7530.0000 -164.02921 -159.03778 4.99142 1.99350 -159.52255 505.72127
7535.0000 -163.21533 -159.01326 4.20207 2.04344 -158.71529 526.22469
7540.0000 -163.54523 -159.47107 4.07416 2.03987 -158.77299 526.29372
7545.0000 -164.02694 -160.56275 3.46419 1.97753 -159.78082 484.01405
7550.0000 -163.49103 -160.00903 3.48201 1.94156 -160.36228 444.98742
7555.0000 -163.89041 -160.03894 3.85147 1.95258 -160.18411 447.73539
7560.0000 -164.36778 -160.22414 4.14365 1.95590 -160.13054 462.23027
7565.0000 -165.06003 -160.81044 4.24959 1.93676 -160.43983 465.55162
7570.0000 -163.80357 -159.94582 3.85776 1.94166 -160.36070 465.08533
7575.0000 -163.90727 -159.85055 4.05672 1.95789 -160.09836 475.30104
7580.0000 -164.35073 -160.63350 3.71723 1.94226 -160.35101 466.71631
7585.0000 -164.19413 -160.38912 3.80501 1.90629 -160.93243 445.85230
7590.0000 -163.65659 -160.04414 3.61244 1.94505 -160.30579 482.57296
7595.0000 -164.12194 -159.98823 4.13371 1.93678 -160.43954 433.45348
7600.0000 -163.44239 -159.49873 3.94367 1.97347 -159.84640 458.94264
7605.0000 -163.68882 -159.33664 4.35218 2.01051 -159.24758 495.82418
7610.0000 -162.71574 -158.42256 4.29318 2.06201 -158.41501 514.77682
7615.0000 -163.60875 -159.25835 4.35040 2.03144 -158.90925 486.14367
7620.0000 -162.67698 -159.40918 3.26780 2.00611 -159.31875 458.98685
7625.0000 -163.41843 -159.54328 3.87515 2.01283 -159.21009 473.97188
7630.0000 -163.14792 -159.55079 3.59713 2.00665 -159.31004 468.65790
7635.0000 -162.73401 -158.65304 4.08097 2.02191 -159.06336 474.68866
7640.0000 -163.21995 -159.36102 3.85893 2.02189 -159.06365 492.51922
7645.0000 -163.03226 -158.67429 4.35797 2.01637 -159.15290 481.75499
7650.0000 -163.41015 -159.53405 3.87609 2.04081 -158.75772 506.30502
7655.0000 -164.04907 -160.70908 3.33999 1.96990 -159.90412 473.83874
7660.0000 -164.17382 -160.85633 3.31749 1.93375 -160.48850 449.43797
7665.0000 -163.58002 -159.56029 4.01973 1.97455 -159.82901 474.56200
7670.0000 -163.78208 -159.84715 3.93493 1.98109 -159.72322 477.67082
7675.0000 -164.27010 -160.31575 3.95435 1.95763 -160.10242 445.49400
7680.0000 -163.63408 -160.12888 3.50520 1.96409 -159.99806 449.09866
7685.0000 -163.75174 -159.38020 4.37154 1.95757 -160.10347 460.52718
7690.0000 -163.43756 -159.66904 3.76852 1.99494 -159.49928 477.65317
7695.0000 -164.08022 -159.95950 4.12072 2.00127 -159.39699 467.59033
7700.0000 -164.36601 -160.43200 3.93401 1.95492 -160.14638 456.54471
7705.0000 -164.45497 -161.03773 3.41724 1.89221 -161.16017 403.45959
7710.0000 -163.96436 -159.82116 4.14320 1.90985 -160.87486 414.62345
7715.0000 -163.92826 -160.23481 3.69345 1.98839 -159.60517 478.09410
7720.0000 -163.39558 -160.01225 3.38333 1.94114 -160.36909 440.15546
7725.0000 -164.01965 -160.54191 3.47775 1.98461 -159.66637 480.78458
7730.0000 -164.26026 -159.94541 4.31485 1.95300 -160.17729 468.49305
7735.0000 -164.07897 -160.43925 3.63973 1.93812 -160.41785 454.09591
7740.0000 -164.33880 -160.36672 3.97208 1.95536 -160.13913 471.11204
7745.0000 -163.34785 -159.78442 3.56343 1.97438 -159.83168 478.50787
7750.0000 -164.70433 -160.36380 4.34053 1.94279 -160.34244 455.07672
FREEZING PROCESS: loop number 32 T-loop= 445.00000000000000
main_MD> interactions number 32 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37927 -0.07347 1.12133
force_rgl> df(natom) -0.98558 0.01687 2.05506
7755.0000 -163.69169 -159.94811 3.74358 1.94978 -160.22947 445.43873
7760.0000 -163.83716 -160.08697 3.75019 1.96186 -160.03405 453.23810
7765.0000 -164.25967 -160.27063 3.98904 1.94746 -160.26697 462.25496
7770.0000 -164.19907 -160.75946 3.43961 1.91422 -160.80424 423.69738
7775.0000 -164.88771 -160.64536 4.24235 1.88845 -161.22080 408.90921
7780.0000 -163.37777 -159.78970 3.58807 1.95849 -160.08851 463.35824
7785.0000 -164.31258 -160.44899 3.86360 1.92338 -160.65625 438.69132
7790.0000 -164.30621 -160.40490 3.90131 1.96137 -160.04204 462.69355
7795.0000 -163.84554 -160.34760 3.49793 1.92938 -160.55927 446.63791
7800.0000 -163.50524 -160.11562 3.38962 1.95924 -160.07649 473.32814
7805.0000 -163.63430 -160.85521 2.77910 1.94650 -160.28241 464.99020
7810.0000 -164.86429 -161.48850 3.37579 1.92776 -160.58544 439.33536
7815.0000 -164.67182 -160.69263 3.97918 1.88448 -161.28497 405.59953
7820.0000 -163.73606 -159.92933 3.80673 1.97948 -159.74927 492.86839
7825.0000 -165.04725 -161.34121 3.70605 1.91388 -160.80979 432.71785
7830.0000 -164.68836 -161.25821 3.43015 1.89533 -161.10961 406.74780
7835.0000 -164.28115 -160.44751 3.83364 1.91512 -160.78969 426.00368
7840.0000 -164.87876 -160.75447 4.12429 1.91317 -160.82119 431.60439
7845.0000 -165.33679 -161.23712 4.09966 1.93573 -160.45660 444.23033
7850.0000 -164.04292 -159.65089 4.39203 1.93830 -160.41499 443.24511
7855.0000 -164.35255 -160.47784 3.87471 1.96406 -159.99860 467.36845
7860.0000 -164.55867 -160.54716 4.01152 1.93546 -160.46096 451.95516
7865.0000 -164.60141 -160.77085 3.83056 1.90842 -160.89797 443.86092
7870.0000 -164.80355 -161.39676 3.40680 1.92005 -160.71008 446.22571
7875.0000 -164.16468 -160.52268 3.64200 1.91735 -160.75361 437.86264
7880.0000 -164.14914 -160.31850 3.83064 1.91735 -160.75363 421.74512
7885.0000 -164.26732 -160.61130 3.65603 1.93930 -160.39875 449.82562
7890.0000 -164.62370 -160.76581 3.85789 1.92558 -160.62067 444.67618
7895.0000 -165.02482 -161.11980 3.90502 1.90401 -160.96928 411.44148
7900.0000 -163.79389 -160.55768 3.23621 1.90500 -160.95328 405.50371
7905.0000 -163.72931 -160.46722 3.26209 1.92763 -160.58746 435.03624
7910.0000 -164.44449 -160.88316 3.56133 1.90717 -160.91825 418.78701
7915.0000 -164.45492 -160.95390 3.50102 1.90538 -160.94712 403.52883
7920.0000 -164.03302 -160.08208 3.95094 1.93829 -160.41518 442.05647
7925.0000 -164.06095 -160.70297 3.35799 1.91745 -160.75201 414.35269
7930.0000 -163.83573 -159.83008 4.00566 1.93645 -160.44494 435.07777
7935.0000 -163.97127 -160.10893 3.86234 1.97823 -159.76948 455.41657
7940.0000 -164.04613 -160.96095 3.08518 1.95726 -160.10854 451.01610
7945.0000 -163.86624 -160.17891 3.68733 1.92103 -160.69423 420.07037
7950.0000 -164.24281 -160.52061 3.72220 1.92955 -160.55639 442.59585
7955.0000 -164.12575 -160.49748 3.62826 1.94310 -160.33731 454.24943
7960.0000 -164.04113 -160.57876 3.46237 1.89555 -161.10613 415.47036
7965.0000 -163.72242 -160.21494 3.50747 1.93968 -160.39265 448.75249
7970.0000 -164.54308 -160.53696 4.00612 1.92721 -160.59420 440.70017
7975.0000 -163.91471 -160.36044 3.55426 1.95743 -160.10579 465.17167
7980.0000 -164.63840 -161.10430 3.53410 1.91882 -160.72984 433.12616
7985.0000 -164.21387 -160.91167 3.30220 1.91013 -160.87039 428.36222
7990.0000 -164.87150 -161.31109 3.56040 1.91630 -160.77064 434.40792
7995.0000 -164.56788 -161.03692 3.53096 1.91314 -160.82178 436.60119
8000.0000 -164.06464 -159.93388 4.13076 1.94159 -160.36177 454.50739
FREEZING PROCESS: loop number 33 T-loop= 420.00000000000000
main_MD> interactions number 33 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81679 -0.45828 1.87943
force_rgl> df(natom) -0.95781 -1.35807 -3.13038
8005.0000 -164.26129 -160.37542 3.88588 1.95844 -160.08936 477.83965
8010.0000 -164.10060 -160.27356 3.82704 1.93343 -160.49378 450.04399
8015.0000 -163.85272 -160.17446 3.67826 1.94452 -160.31446 453.01212
8020.0000 -164.56979 -160.74519 3.82461 1.93737 -160.42995 453.74775
8025.0000 -164.71123 -160.48460 4.22663 1.93635 -160.44650 451.50840
8030.0000 -164.73142 -160.87074 3.86069 1.92720 -160.59437 448.23631
8035.0000 -164.75349 -161.29419 3.45930 1.89454 -161.12234 417.96701
8040.0000 -164.63950 -161.98239 2.65711 1.86743 -161.56063 385.80328
8045.0000 -164.50570 -160.85948 3.64622 1.89481 -161.11813 418.70925
8050.0000 -164.94565 -161.43009 3.51556 1.87696 -161.40657 397.77549
8055.0000 -165.21651 -161.66043 3.55608 1.88835 -161.22252 412.98126
8060.0000 -164.90409 -161.38381 3.52028 1.86670 -161.57244 392.92536
8065.0000 -164.61601 -160.57115 4.04486 1.90398 -160.96983 422.69127
8070.0000 -164.94732 -161.31997 3.62735 1.90441 -160.96289 439.21663
8075.0000 -164.87993 -161.04908 3.83085 1.90068 -161.02316 436.85218
8080.0000 -165.18663 -161.73119 3.45544 1.87524 -161.43446 413.29406
8085.0000 -165.27089 -161.85907 3.41182 1.85565 -161.75117 393.88668
8090.0000 -165.49802 -161.83772 3.66030 1.83470 -162.08973 369.91558
8095.0000 -165.01278 -161.31669 3.69608 1.89095 -161.18051 429.14910
8100.0000 -164.26755 -161.02108 3.24647 1.88636 -161.25474 406.87672
8105.0000 -164.76530 -161.27526 3.49004 1.92101 -160.69450 444.56334
8110.0000 -164.94216 -161.00958 3.93258 1.92685 -160.60001 449.92457
8115.0000 -164.60130 -161.18627 3.41503 1.90391 -160.97093 424.01035
8120.0000 -164.65209 -161.39709 3.25500 1.88154 -161.33258 424.90736
8125.0000 -165.39846 -161.82026 3.57820 1.87333 -161.46530 419.57857
8130.0000 -165.57437 -161.94154 3.63283 1.84396 -161.94019 393.55675
8135.0000 -165.02796 -161.89084 3.13712 1.85393 -161.77889 390.94755
8140.0000 -164.72159 -161.26438 3.45722 1.88660 -161.25073 429.22127
8145.0000 -165.20608 -161.95430 3.25178 1.85158 -161.81698 397.77048
8150.0000 -165.25513 -162.39593 2.85920 1.84371 -161.94411 396.21638
8155.0000 -164.93102 -160.91668 4.01434 1.86819 -161.54837 407.98580
8160.0000 -164.59745 -160.99553 3.60192 1.89582 -161.10169 431.45489
8165.0000 -164.83307 -161.31801 3.51506 1.88735 -161.23865 415.81502
8170.0000 -165.13572 -161.94428 3.19144 1.83055 -162.15689 368.08923
8175.0000 -164.90049 -161.75923 3.14126 1.85441 -161.77115 397.57785
8180.0000 -164.66183 -161.14019 3.52164 1.86599 -161.58391 410.95476
8185.0000 -164.57482 -161.24613 3.32868 1.90157 -161.00885 430.60398
8190.0000 -165.27446 -161.80430 3.47016 1.85233 -161.80482 393.28357
8195.0000 -165.48990 -162.41411 3.07579 1.84580 -161.91041 386.73495
8200.0000 -165.61705 -161.94162 3.67543 1.81573 -162.39642 364.93655
8205.0000 -165.73476 -162.10795 3.62681 1.84536 -161.91753 388.00061
8210.0000 -165.39371 -161.82232 3.57139 1.85141 -161.81968 404.33886
8215.0000 -164.98567 -161.91201 3.07366 1.85557 -161.75241 404.31836
8220.0000 -165.16352 -161.72255 3.44097 1.84045 -161.99682 385.61203
8225.0000 -165.26050 -161.65781 3.60270 1.86312 -161.63044 405.84770
8230.0000 -164.61084 -161.52529 3.08554 1.86826 -161.54729 416.07774
8235.0000 -164.64158 -160.60857 4.03301 1.87745 -161.39877 418.02344
8240.0000 -164.81023 -161.71373 3.09649 1.88909 -161.21047 427.22897
8245.0000 -164.48598 -160.65969 3.82629 1.89821 -161.06310 435.96538
8250.0000 -163.72332 -159.98301 3.74031 1.94810 -160.25658 476.70782
FREEZING PROCESS: loop number 34 T-loop= 395.00000000000000
main_MD> interactions number 34 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18700 -0.21935 -0.82337
force_rgl> df(natom) 0.12241 3.77966 -1.88299
8255.0000 -164.56349 -161.24639 3.31710 1.92961 -160.55551 461.91177
8260.0000 -165.02234 -161.66267 3.35967 1.86633 -161.57854 406.75138
8265.0000 -164.41036 -160.74537 3.66499 1.89159 -161.17005 412.57474
8270.0000 -165.06384 -161.86747 3.19637 1.87778 -161.39337 410.74515
8275.0000 -165.32900 -161.92841 3.40059 1.83083 -162.15244 378.97774
8280.0000 -165.01307 -161.68409 3.32898 1.85245 -161.80285 395.20894
8285.0000 -164.64122 -161.45997 3.18125 1.86879 -161.53877 398.48746
8290.0000 -165.33541 -161.99614 3.33927 1.83475 -162.08906 365.51011
8295.0000 -165.06996 -162.07441 2.99555 1.85049 -161.83452 383.10749
8300.0000 -165.17899 -161.80284 3.37615 1.83149 -162.14164 378.81331
8305.0000 -165.10766 -161.45864 3.64902 1.85814 -161.71089 401.27073
8310.0000 -164.11376 -160.96943 3.14433 1.89844 -161.05935 431.56579
8315.0000 -165.19204 -161.45185 3.74019 1.88322 -161.30545 415.44236
8320.0000 -164.67961 -161.68245 2.99716 1.90257 -160.99256 431.54920
8325.0000 -165.26655 -161.74579 3.52076 1.85172 -161.81459 396.01407
8330.0000 -165.11222 -161.82124 3.29098 1.84902 -161.85829 388.11779
8335.0000 -164.71956 -161.52959 3.18997 1.88541 -161.26999 423.82241
8340.0000 -164.60529 -160.41915 4.18614 1.89633 -161.09342 432.60040
8345.0000 -165.72780 -161.65299 4.07481 1.90420 -160.96632 436.69657
8350.0000 -164.61852 -161.91796 2.70056 1.86073 -161.66895 389.69522
8355.0000 -165.34585 -161.53324 3.81262 1.87217 -161.48409 393.90072
8360.0000 -164.62126 -161.16899 3.45227 1.87754 -161.39719 408.08139
8365.0000 -164.94820 -161.69237 3.25583 1.86224 -161.64455 397.78854
8370.0000 -165.10454 -162.07690 3.02764 1.86360 -161.62258 397.33491
8375.0000 -164.83797 -161.63567 3.20230 1.84332 -161.95040 368.82887
8380.0000 -164.97127 -161.72565 3.24562 1.86632 -161.57868 381.11401
8385.0000 -164.50559 -160.91474 3.59085 1.85128 -161.82176 377.86359
8390.0000 -164.83104 -161.73909 3.09194 1.89306 -161.14629 418.06391
8395.0000 -164.70670 -161.29194 3.41476 1.86821 -161.54803 401.37220
8400.0000 -165.31017 -162.16433 3.14584 1.86383 -161.61882 406.88205
8405.0000 -164.58977 -161.53711 3.05266 1.84148 -161.98015 379.75257
8410.0000 -164.22696 -161.24563 2.98134 1.86734 -161.56218 406.93934
8415.0000 -165.01792 -162.13278 2.88514 1.87696 -161.40667 414.79152
8420.0000 -165.53785 -162.41923 3.11861 1.82406 -162.26180 367.44857
8425.0000 -165.56624 -162.78189 2.78435 1.80676 -162.54146 353.00112
8430.0000 -164.95475 -162.43052 2.52423 1.81859 -162.35029 365.47332
8435.0000 -164.31810 -161.24500 3.07310 1.86334 -161.62673 396.36778
8440.0000 -164.98416 -162.08587 2.89829 1.86312 -161.63038 399.96540
8445.0000 -164.91213 -161.36143 3.55069 1.83857 -162.02725 373.77608
8450.0000 -164.29134 -160.69396 3.59738 1.89470 -161.11983 417.83024
8455.0000 -164.91224 -161.73697 3.17527 1.86874 -161.53947 399.40310
8460.0000 -164.87033 -161.35052 3.51980 1.85193 -161.81134 387.58664
8465.0000 -164.83060 -161.37906 3.45154 1.89284 -161.14992 416.18447
8470.0000 -164.78151 -162.13019 2.65133 1.86196 -161.64909 391.21377
8475.0000 -165.00156 -162.16771 2.83385 1.84555 -161.91439 372.89337
8480.0000 -164.91038 -161.49590 3.41448 1.83331 -162.11234 371.93035
8485.0000 -164.85078 -161.71298 3.13780 1.86340 -161.62583 391.52107
8490.0000 -164.90139 -161.67785 3.22354 1.85026 -161.83826 364.44770
8495.0000 -165.34500 -161.55242 3.79258 1.86360 -161.62262 391.99329
8500.0000 -164.89311 -161.38493 3.50818 1.88545 -161.26930 411.40171
FREEZING PROCESS: loop number 35 T-loop= 370.00000000000000
main_MD> interactions number 35 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.09740 0.49475 2.20136
force_rgl> df(natom) -0.50267 0.12118 -0.70085
8505.0000 -164.40965 -161.54455 2.86510 1.85562 -161.75164 386.94711
8510.0000 -164.55570 -161.04814 3.50756 1.86110 -161.66301 390.24388
8515.0000 -164.70691 -161.62522 3.08168 1.89148 -161.17196 423.95916
8520.0000 -165.02963 -162.01643 3.01321 1.85667 -161.73460 397.76975
8525.0000 -165.30330 -161.88511 3.41819 1.86050 -161.67269 397.99585
8530.0000 -165.73918 -162.19992 3.53926 1.84774 -161.87894 385.94444
8535.0000 -165.34324 -162.74891 2.59434 1.80077 -162.63826 348.12941
8540.0000 -164.91038 -161.64172 3.26866 1.84867 -161.86404 385.87932
8545.0000 -165.03566 -162.08540 2.95026 1.83394 -162.10214 385.69763
8550.0000 -165.33464 -162.50266 2.83198 1.81212 -162.45477 358.18199
8555.0000 -165.67333 -162.05548 3.61786 1.79849 -162.67520 349.12417
8560.0000 -165.69459 -163.18069 2.51390 1.80949 -162.49742 354.82703
8565.0000 -165.53932 -162.33968 3.19964 1.78739 -162.85459 333.26781
8570.0000 -165.15716 -162.20532 2.95184 1.82991 -162.16723 367.03224
8575.0000 -165.11657 -161.82656 3.29001 1.85281 -161.79707 389.75377
8580.0000 -165.10930 -161.65115 3.45815 1.86096 -161.66522 402.01999
8585.0000 -165.47707 -161.82392 3.65315 1.85074 -161.83043 388.91922
8590.0000 -164.94802 -161.32311 3.62490 1.86287 -161.63437 398.46415
8595.0000 -165.12139 -161.30803 3.81336 1.86451 -161.60787 404.21122
8600.0000 -165.22400 -161.17815 4.04585 1.87524 -161.43438 409.57451
8605.0000 -165.74312 -162.71936 3.02376 1.83524 -162.08112 376.72725
8610.0000 -165.77453 -162.76810 3.00642 1.82534 -162.24110 354.08972
8615.0000 -165.57794 -162.76174 2.81619 1.80044 -162.64370 346.17460
8620.0000 -165.34087 -162.36714 2.97373 1.78926 -162.82437 334.61521
8625.0000 -165.06851 -161.86713 3.20138 1.80918 -162.50236 350.62565
8630.0000 -165.03896 -162.24909 2.78988 1.85070 -161.83120 392.47835
8635.0000 -165.31027 -162.36291 2.94736 1.83255 -162.12449 376.56803
8640.0000 -164.78030 -161.84280 2.93749 1.84676 -161.89490 383.47387
8645.0000 -165.40711 -162.36418 3.04294 1.84228 -161.96722 380.00366
8650.0000 -165.85713 -162.60387 3.25326 1.80115 -162.63224 333.89196
8655.0000 -165.15123 -161.41169 3.73954 1.85471 -161.76628 386.04027
8660.0000 -165.69202 -162.23447 3.45756 1.85273 -161.79837 382.95183
8665.0000 -165.31588 -162.36084 2.95504 1.81047 -162.48154 356.89555
8670.0000 -165.05678 -161.62574 3.43104 1.82920 -162.17866 364.13995
8675.0000 -165.27128 -162.05465 3.21663 1.83756 -162.04365 370.25530
8680.0000 -165.58646 -162.08026 3.50620 1.81999 -162.32762 356.40687
8685.0000 -165.26235 -162.42493 2.83742 1.80806 -162.52053 347.20351
8690.0000 -165.09279 -162.15994 2.93284 1.81814 -162.35754 354.69471
8695.0000 -165.12077 -161.74355 3.37723 1.85179 -161.81349 381.23871
8700.0000 -164.86965 -161.78002 3.08963 1.85193 -161.81120 384.81221
8705.0000 -165.29363 -161.39739 3.89624 1.87131 -161.49803 408.38899
8710.0000 -164.77752 -161.63119 3.14633 1.86782 -161.55446 401.00561
8715.0000 -165.88214 -162.71178 3.17036 1.83632 -162.06355 375.03282
8720.0000 -165.24668 -162.49303 2.75366 1.79743 -162.69237 348.30398
8725.0000 -165.62945 -162.31499 3.31445 1.82194 -162.29616 363.88037
8730.0000 -165.14309 -161.65056 3.49253 1.84425 -161.93545 382.94906
8735.0000 -164.50768 -161.33919 3.16849 1.86850 -161.54331 396.08298
8740.0000 -164.99324 -161.71442 3.27882 1.88465 -161.28225 413.23603
8745.0000 -165.45974 -162.26654 3.19320 1.83272 -162.12176 372.93957
8750.0000 -165.49844 -161.91321 3.58522 1.83053 -162.15725 368.49666
FREEZING PROCESS: loop number 36 T-loop= 345.00000000000000
main_MD> interactions number 36 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91747 -1.27852 -0.71184
force_rgl> df(natom) 0.29772 -0.86327 3.25049
8755.0000 -165.70687 -163.29299 2.41388 1.81012 -162.48718 347.26794
8760.0000 -165.62975 -163.22053 2.40922 1.76195 -163.26582 310.27067
8765.0000 -165.36905 -162.86101 2.50804 1.79138 -162.79015 337.49837
8770.0000 -165.32900 -161.95385 3.37515 1.83964 -162.01001 369.06528
8775.0000 -164.94060 -161.91614 3.02446 1.83613 -162.06663 373.90027
8780.0000 -165.53974 -162.38185 3.15789 1.83559 -162.07537 367.37480
8785.0000 -165.63548 -162.62552 3.00996 1.82390 -162.26434 361.41880
8790.0000 -165.23774 -162.88444 2.35330 1.77764 -163.01221 321.81984
8795.0000 -165.57346 -162.74571 2.82775 1.79151 -162.78803 329.25302
8800.0000 -165.42752 -162.53319 2.89434 1.79366 -162.75323 332.84447
8805.0000 -165.21610 -162.28751 2.92858 1.82927 -162.17758 366.63331
8810.0000 -165.20067 -162.56368 2.63699 1.81699 -162.37614 354.09613
8815.0000 -164.62083 -161.95849 2.66234 1.82064 -162.31709 352.27231
8820.0000 -165.66705 -162.49809 3.16896 1.83070 -162.15455 364.87815
8825.0000 -165.32436 -162.86205 2.46231 1.78243 -162.93485 323.17034
8830.0000 -165.92583 -162.88403 3.04180 1.79391 -162.74924 333.82677
8835.0000 -165.60527 -162.58675 3.01852 1.80202 -162.61808 342.23582
8840.0000 -165.13135 -162.41262 2.71873 1.80575 -162.55790 343.59228
8845.0000 -164.72866 -161.86881 2.85985 1.81905 -162.34287 352.59300
8850.0000 -165.29940 -162.60028 2.69912 1.81601 -162.39198 352.38638
8855.0000 -164.36843 -161.63513 2.73330 1.82901 -162.18179 366.98486
8860.0000 -165.23776 -162.78201 2.45575 1.82736 -162.20849 367.42680
8865.0000 -165.35859 -162.34710 3.01149 1.80341 -162.59562 350.12277
8870.0000 -165.47789 -162.27960 3.19829 1.82375 -162.26684 367.08887
8875.0000 -165.43916 -162.13347 3.30569 1.82738 -162.20814 365.76175
8880.0000 -165.54124 -162.88411 2.65713 1.80609 -162.55236 352.08176
8885.0000 -165.61576 -162.47416 3.14160 1.79253 -162.77147 334.59170
8890.0000 -166.03466 -163.30188 2.73277 1.78987 -162.81458 339.50854
8895.0000 -165.73627 -163.08459 2.65167 1.76568 -163.20568 313.33187
8900.0000 -165.87100 -163.05236 2.81865 1.77809 -163.00491 326.67022
8905.0000 -165.16413 -162.47794 2.68619 1.79256 -162.77100 340.82748
8910.0000 -165.88398 -163.06232 2.82166 1.78193 -162.94293 330.81037
8915.0000 -165.81875 -163.05554 2.76321 1.75878 -163.31717 310.83093
8920.0000 -165.16980 -162.45363 2.71617 1.81590 -162.39372 366.05174
8925.0000 -165.85521 -162.36715 3.48806 1.80994 -162.49005 357.68102
8930.0000 -165.78492 -162.81564 2.96928 1.79267 -162.76927 343.14762
8935.0000 -165.77346 -162.65727 3.11619 1.82199 -162.29524 366.79747
8940.0000 -166.35059 -163.04926 3.30134 1.80088 -162.63653 350.88490
8945.0000 -166.12577 -163.49165 2.63412 1.77693 -163.02378 333.98981
8950.0000 -165.80405 -163.20156 2.60250 1.75071 -163.44756 311.37416
8955.0000 -165.68753 -162.98290 2.70463 1.77280 -163.09054 325.37089
8960.0000 -165.32141 -162.60397 2.71744 1.78601 -162.87691 337.15155
8965.0000 -165.97609 -163.24463 2.73147 1.81673 -162.38034 363.72182
8970.0000 -165.90010 -163.09665 2.80346 1.78756 -162.85189 338.20202
8975.0000 -165.34505 -162.32332 3.02173 1.81340 -162.43409 355.77680
8980.0000 -165.66580 -162.91288 2.75292 1.80911 -162.50343 352.59072
8985.0000 -165.48336 -162.67361 2.80974 1.79754 -162.69052 338.85039
8990.0000 -165.27402 -162.45950 2.81453 1.79027 -162.80805 330.92474
8995.0000 -165.25458 -162.37965 2.87493 1.83225 -162.12939 365.45206
9000.0000 -165.27244 -162.03466 3.23778 1.82598 -162.23076 358.06894
FREEZING PROCESS: loop number 37 T-loop= 320.00000000000000
main_MD> interactions number 37 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74856 -0.49316 -0.24160
force_rgl> df(natom) 0.41055 1.07212 3.17894
9005.0000 -165.85798 -163.02001 2.83797 1.79300 -162.76398 333.30962
9010.0000 -165.79563 -162.68130 3.11433 1.78541 -162.88658 335.29508
9015.0000 -165.17324 -162.03185 3.14140 1.80215 -162.61603 345.02015
9020.0000 -166.13976 -163.39672 2.74304 1.79846 -162.67564 342.39196
9025.0000 -165.57509 -162.88178 2.69331 1.75902 -163.31328 308.93790
9030.0000 -165.70674 -163.25448 2.45225 1.75428 -163.38997 300.52081
9035.0000 -166.25136 -163.96559 2.28577 1.75024 -163.45520 301.47562
9040.0000 -165.68163 -163.05607 2.62556 1.76458 -163.22334 316.90914
9045.0000 -166.39055 -163.59895 2.79160 1.75336 -163.40481 303.14751
9050.0000 -166.11288 -163.38117 2.73171 1.76216 -163.26243 312.43631
9055.0000 -165.43106 -162.54822 2.88285 1.77743 -163.01569 320.70089
9060.0000 -166.45924 -163.62190 2.83735 1.77339 -163.08095 321.68862
9065.0000 -166.21307 -163.91621 2.29686 1.72488 -163.86514 279.62805
9070.0000 -165.67521 -162.77941 2.89580 1.76099 -163.28136 311.66853
9075.0000 -165.96038 -163.24846 2.71192 1.77037 -163.12981 321.67308
9080.0000 -166.05749 -163.54507 2.51242 1.74367 -163.56140 293.74760
9085.0000 -165.37819 -163.13875 2.23944 1.75543 -163.37128 304.70681
9090.0000 -165.71042 -163.16765 2.54277 1.75512 -163.37636 306.96908
9095.0000 -166.31490 -163.71314 2.60176 1.73845 -163.64576 290.03677
9100.0000 -166.10119 -163.44384 2.65736 1.74219 -163.58536 290.15095
9105.0000 -166.14635 -163.06739 3.07895 1.76647 -163.19286 319.44288
9110.0000 -165.53988 -162.77282 2.76706 1.76419 -163.22969 313.64417
9115.0000 -166.00107 -162.95416 3.04691 1.78340 -162.91908 331.31059
9120.0000 -165.81319 -163.18544 2.62775 1.76411 -163.23091 302.97670
9125.0000 -165.80566 -162.90243 2.90323 1.76222 -163.26159 309.36463
9130.0000 -165.47799 -162.72702 2.75097 1.79055 -162.80359 331.84953
9135.0000 -165.96218 -163.08877 2.87341 1.78921 -162.82525 339.89883
9140.0000 -165.57589 -163.26102 2.31487 1.75901 -163.31345 309.03156
9145.0000 -166.02540 -163.12822 2.89717 1.78299 -162.92579 332.15539
9150.0000 -165.46885 -162.44671 3.02214 1.77768 -163.01158 330.86102
9155.0000 -165.58134 -162.74405 2.83728 1.79756 -162.69016 342.78562
9160.0000 -165.82889 -163.12903 2.69986 1.76729 -163.17958 315.63533
9165.0000 -165.62055 -162.93108 2.68947 1.76723 -163.18053 320.38053
9170.0000 -166.05945 -162.81740 3.24205 1.79354 -162.75526 342.79539
9175.0000 -165.88328 -163.09069 2.79258 1.77498 -163.05531 327.52817
9180.0000 -165.69553 -163.59797 2.09756 1.77131 -163.11466 323.52733
9185.0000 -165.85066 -163.18463 2.66603 1.76866 -163.15740 312.82621
9190.0000 -165.79318 -163.23667 2.55651 1.75819 -163.32663 308.97994
9195.0000 -166.06571 -163.30502 2.76070 1.77539 -163.04859 324.69651
9200.0000 -165.73649 -162.91661 2.81989 1.79123 -162.79254 341.75492
9205.0000 -165.73597 -163.23920 2.49677 1.77720 -163.01933 323.69202
9210.0000 -166.10882 -163.88874 2.22008 1.74325 -163.56823 297.38397
9215.0000 -165.64284 -163.17063 2.47221 1.75604 -163.36139 305.26634
9220.0000 -165.25635 -162.82105 2.43529 1.77180 -163.10660 319.82192
9225.0000 -165.33899 -162.60359 2.73540 1.77318 -163.08430 323.13807
9230.0000 -165.85245 -163.26827 2.58419 1.78689 -162.86279 328.36829
9235.0000 -165.84570 -163.57400 2.27170 1.75773 -163.33413 303.78362
9240.0000 -165.79416 -162.91556 2.87860 1.75858 -163.32041 307.61936
9245.0000 -165.37085 -162.91001 2.46084 1.76795 -163.16892 315.05652
9250.0000 -165.90870 -162.58745 3.32125 1.79452 -162.73933 336.64146
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 59.2340009 [s].
main_MD> Deallocating global variables
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