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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_82/freeze.log

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main_MD> Reading input file
read_input> Process type: freezing
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoFreeze_82.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 82 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 82
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 9.4443659336075486E-002 -4.8591266014613534E-002 -0.12732562697764982 initial drift of cluster / NP1 for coalescence
init> 0.34321963616378787 0.35388739044479933 0.32636786861116129 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.5365311065278923E-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) -1.67636 0.57232 0.38014
force_rgl> df(natom) 1.66335 5.85841 -0.93848
preparo> THERMALIZATION PROCESS AT 1086.9955462148832
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -179.45654623747180 13.191143303650300 -192.64768954112211 6.9760869281477067E-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 31
FREEZING PROCESS: loop number 1 T-loop= 1060.0000000000000
main_MD> interactions number 1 at Temperature= 1060.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 10.18385 5.92919 5.01055
force_rgl> df(natom) -1.52176 -0.31104 -2.83771
5.0000 -196.47447 -183.95633 12.51814 3.16738 -182.11724 1151.17423
10.0000 -196.00624 -184.40135 11.60489 3.07809 -183.80246 1103.19749
15.0000 -197.73090 -186.21666 11.51424 3.03108 -184.68985 1071.34780
20.0000 -196.48428 -186.13458 10.34970 2.98179 -185.62017 1050.47695
25.0000 -196.08568 -184.09893 11.98675 3.03113 -184.68891 1083.52755
30.0000 -194.83208 -183.79596 11.03612 3.08342 -183.70185 1089.44155
35.0000 -195.14742 -184.77352 10.37390 3.08960 -183.58532 1125.43448
40.0000 -196.34520 -185.82086 10.52434 3.00147 -185.24877 1046.51260
45.0000 -193.19704 -182.88903 10.30802 3.00996 -185.08851 1066.42695
50.0000 -198.07457 -186.07944 11.99514 3.01865 -184.92448 1077.95458
55.0000 -196.81999 -185.38793 11.43206 2.98219 -185.61266 1041.50045
60.0000 -195.82107 -183.38010 12.44096 3.07740 -183.81554 1075.67382
65.0000 -196.26699 -184.93994 11.32705 3.03145 -184.68291 1087.67408
70.0000 -196.47474 -184.28688 12.18786 2.99669 -185.33895 1086.77562
75.0000 -198.97148 -187.66844 11.30304 2.94596 -186.29646 1040.93088
80.0000 -193.18111 -181.97755 11.20355 3.02809 -184.74631 1074.42014
85.0000 -197.18191 -185.35492 11.82698 3.04958 -184.34070 1084.14389
90.0000 -194.74671 -182.44646 12.30025 2.99290 -185.41038 1078.88210
95.0000 -192.57638 -181.22790 11.34848 3.20184 -181.46673 1172.95705
100.0000 -192.81548 -180.29733 12.51815 3.25298 -180.50155 1208.91344
105.0000 -193.81675 -182.07260 11.74415 3.19616 -181.57395 1189.95712
110.0000 -195.19769 -184.70793 10.48977 3.11262 -183.15081 1096.94016
115.0000 -195.32361 -184.16451 11.15910 3.07380 -183.88350 1090.09819
120.0000 -195.62717 -183.51620 12.11097 3.08116 -183.74450 1133.89196
125.0000 -196.29543 -185.42311 10.87232 3.01555 -184.98297 1075.90135
130.0000 -195.84823 -185.62126 10.22697 3.04562 -184.41547 1103.46612
135.0000 -194.88890 -184.52165 10.36726 2.97788 -185.69392 1046.78986
140.0000 -195.98359 -185.40281 10.58078 2.98435 -185.57177 1061.71304
145.0000 -198.28732 -186.81306 11.47427 2.98318 -185.59386 1022.13598
150.0000 -198.25743 -186.72013 11.53730 2.96044 -186.02313 1020.65010
155.0000 -196.86227 -186.17994 10.68234 2.90932 -186.98793 1034.64814
160.0000 -196.92434 -186.06981 10.85454 2.94233 -186.36489 1000.86576
165.0000 -196.51535 -183.88468 12.63068 3.02134 -184.87360 1073.44301
170.0000 -196.68285 -186.40833 10.27451 2.96668 -185.90538 1038.72661
175.0000 -194.20185 -182.39691 11.80494 3.03821 -184.55527 1071.96080
180.0000 -196.75351 -185.59757 11.15594 3.06349 -184.07802 1103.20574
185.0000 -195.89877 -183.87431 12.02446 3.03062 -184.69859 1041.46343
190.0000 -196.23979 -185.85431 10.38548 3.03981 -184.52509 1083.08866
195.0000 -195.95620 -185.27229 10.68391 2.96938 -185.85430 1032.95898
200.0000 -196.03311 -183.74430 12.28881 3.00882 -185.10999 1055.51559
205.0000 -197.74495 -184.60073 13.14422 3.09230 -183.53438 1106.67898
210.0000 -197.07581 -184.82382 12.25199 3.06649 -184.02142 1116.70377
215.0000 -193.58286 -183.79557 9.78729 3.11568 -183.09304 1096.65842
220.0000 -196.01244 -184.72805 11.28439 3.09751 -183.43596 1131.12550
225.0000 -197.37731 -186.29329 11.08403 2.99371 -185.39510 1044.00516
230.0000 -193.60738 -180.55046 13.05692 3.07372 -183.88498 1073.46107
235.0000 -194.77737 -182.46660 12.31077 3.25654 -180.43441 1202.44875
240.0000 -195.04220 -182.54957 12.49263 3.17313 -182.00869 1125.90587
245.0000 -195.19327 -182.68484 12.50843 3.13601 -182.70938 1156.17344
250.0000 -194.86666 -183.19092 11.67574 3.09018 -183.57429 1106.79390
FREEZING PROCESS: loop number 2 T-loop= 1035.0000000000000
main_MD> interactions number 2 at Temperature= 1035.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34819 2.55034 -2.22459
force_rgl> df(natom) 6.71729 2.03564 0.94917
255.0000 -194.99081 -182.70215 12.28865 3.14363 -182.56552 1151.62381
260.0000 -193.53983 -180.31321 13.22662 3.20640 -181.38071 1197.01183
265.0000 -194.97033 -183.41243 11.55790 3.13483 -182.73167 1161.09343
270.0000 -196.42209 -184.32308 12.09901 3.06201 -184.10600 1114.79466
275.0000 -196.67362 -184.58313 12.09049 2.99787 -185.31667 1039.22748
280.0000 -196.03105 -185.21504 10.81600 3.02050 -184.88947 1057.10202
285.0000 -197.65715 -184.59490 13.06225 2.99035 -185.45855 1056.05886
290.0000 -199.35005 -187.23479 12.11526 3.00086 -185.26029 1098.40622
295.0000 -196.88476 -187.18286 9.70191 2.92877 -186.62085 1034.27615
300.0000 -197.61449 -186.44602 11.16847 2.96655 -185.90786 1017.99519
305.0000 -197.10995 -185.15845 11.95151 2.94779 -186.26185 1035.00296
310.0000 -197.05279 -185.78635 11.26644 2.99913 -185.29287 1059.62752
315.0000 -195.60832 -184.96650 10.64181 3.01534 -184.98689 1044.79435
320.0000 -194.87958 -184.43317 10.44641 2.97833 -185.68554 1055.11837
325.0000 -196.93826 -184.94389 11.99437 3.00704 -185.14354 1041.10457
330.0000 -196.48729 -186.41062 10.07666 2.98397 -185.57902 1016.80535
335.0000 -195.94549 -185.63533 10.31017 2.99349 -185.39927 1066.31402
340.0000 -198.23224 -186.67031 11.56193 2.95456 -186.13411 1032.70105
345.0000 -195.83832 -183.28680 12.55153 3.06449 -184.05924 1116.45268
350.0000 -195.88592 -185.28867 10.59725 3.07817 -183.80100 1088.14998
355.0000 -198.70082 -187.95496 10.74586 2.87613 -187.61436 988.82641
360.0000 -197.04627 -185.26312 11.78315 2.94295 -186.35324 1034.04929
365.0000 -194.59730 -183.93476 10.66254 3.06189 -184.10829 1091.06164
370.0000 -197.29970 -185.49065 11.80905 3.02892 -184.73060 1041.67329
375.0000 -196.98052 -184.82464 12.15589 2.97636 -185.72256 1067.83134
380.0000 -195.73297 -185.77164 9.96132 3.01236 -185.04309 1070.94951
385.0000 -197.07614 -187.79092 9.28522 2.88028 -187.53606 961.42412
390.0000 -196.23561 -185.70137 10.53425 2.93415 -186.51935 988.08380
395.0000 -196.00044 -184.80182 11.19862 3.00056 -185.26579 1055.78779
400.0000 -195.14006 -185.32671 9.81335 3.02105 -184.87922 1062.67112
405.0000 -198.11212 -187.07898 11.03314 2.91536 -186.87394 1010.40208
410.0000 -196.05892 -185.93072 10.12820 2.94177 -186.37558 1005.25544
415.0000 -194.29439 -183.30602 10.98837 3.03048 -184.70107 1067.50663
420.0000 -197.54278 -187.10689 10.43589 2.95438 -186.13741 1035.42821
425.0000 -197.10560 -185.55842 11.54719 3.01148 -185.05981 1068.42449
430.0000 -196.93617 -186.66980 10.26637 3.00086 -185.26014 1058.17582
435.0000 -196.25694 -184.99734 11.25960 2.95712 -186.08569 1034.48959
440.0000 -196.98191 -185.91230 11.06961 2.98140 -185.62748 1075.48703
445.0000 -197.83630 -186.38476 11.45154 2.99880 -185.29908 1072.33613
450.0000 -196.32223 -186.95472 9.36751 2.87376 -187.65908 974.84559
455.0000 -193.88695 -182.77743 11.10952 3.04517 -184.42385 1079.62957
460.0000 -197.26569 -185.39579 11.86991 3.11222 -183.15842 1126.41265
465.0000 -196.10896 -184.62406 11.48490 3.01057 -185.07692 1055.96472
470.0000 -193.82427 -183.02333 10.80094 3.08338 -183.70278 1087.45052
475.0000 -194.25403 -183.09254 11.16149 3.01801 -184.93649 1035.60847
480.0000 -196.57269 -185.71183 10.86087 3.07078 -183.94053 1096.74924
485.0000 -196.64380 -186.52771 10.11609 2.95385 -186.14746 1014.14182
490.0000 -197.72841 -186.64662 11.08179 2.96121 -186.00852 1030.67582
495.0000 -196.95902 -185.91882 11.04020 2.92048 -186.77735 991.54103
500.0000 -197.01232 -185.92636 11.08596 2.96072 -186.01792 1030.59881
FREEZING PROCESS: loop number 3 T-loop= 1010.0000000000000
main_MD> interactions number 3 at Temperature= 1010.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.99738 -1.33344 2.96615
force_rgl> df(natom) 2.22647 -6.17804 -1.24148
505.0000 -198.11422 -186.91193 11.20230 2.90700 -187.03179 985.59883
510.0000 -198.38372 -187.91324 10.47048 2.90740 -187.02424 982.47904
515.0000 -196.96644 -185.91739 11.04906 2.90755 -187.02139 975.26860
520.0000 -196.55581 -185.64010 10.91570 2.99870 -185.30101 1070.63576
525.0000 -198.11959 -187.92695 10.19265 2.88774 -187.39536 988.00773
530.0000 -198.23292 -187.82453 10.40839 2.83708 -188.35146 969.07935
535.0000 -197.63575 -188.06469 9.57106 2.80982 -188.86609 927.11029
540.0000 -197.75413 -186.87489 10.87924 2.87073 -187.71642 977.15659
545.0000 -198.05533 -186.33589 11.71944 2.91862 -186.81245 997.38367
550.0000 -196.24687 -185.64797 10.59891 2.96917 -185.85830 1024.37808
555.0000 -197.43809 -186.84228 10.59582 2.94723 -186.27253 1043.06339
560.0000 -197.13532 -184.37551 12.75982 2.96447 -185.94713 1059.43413
565.0000 -195.97384 -185.47165 10.50220 3.08836 -183.60866 1098.49579
570.0000 -197.28077 -186.05724 11.22353 3.01337 -185.02417 1069.00828
575.0000 -198.48911 -186.69662 11.79249 2.90515 -187.06667 995.77131
580.0000 -197.79130 -186.27819 11.51311 2.88181 -187.50722 1001.23242
585.0000 -196.26152 -184.50312 11.75840 2.96696 -185.90014 1014.76518
590.0000 -196.22578 -183.76601 12.45977 3.03057 -184.69946 1059.13968
595.0000 -197.54116 -187.49670 10.04446 2.99313 -185.40613 1036.06946
600.0000 -198.39178 -187.04540 11.34637 2.86308 -187.86078 992.09417
605.0000 -197.26642 -186.16626 11.10016 2.92897 -186.61710 981.77579
610.0000 -198.62011 -188.16717 10.45294 2.88681 -187.41287 1005.74197
615.0000 -197.47839 -186.09641 11.38198 2.89557 -187.24743 1012.91444
620.0000 -196.10614 -185.48116 10.62498 2.97073 -185.82885 1025.03903
625.0000 -197.59498 -187.57885 10.01613 2.94748 -186.26775 1037.69760
630.0000 -196.80174 -186.13905 10.66269 2.92968 -186.60361 1031.85126
635.0000 -199.39163 -187.40925 11.98239 2.90528 -187.06417 1007.70112
640.0000 -199.22585 -185.98321 13.24264 2.94580 -186.29938 1020.52371
645.0000 -198.36662 -186.09304 12.27359 3.01916 -184.91489 1088.69800
650.0000 -197.04697 -184.95011 12.09686 2.93392 -186.52366 1004.53677
655.0000 -197.11813 -185.88460 11.23353 3.00517 -185.17892 1039.78786
660.0000 -196.59911 -185.44297 11.15615 2.97335 -185.77944 1037.56524
665.0000 -197.21831 -187.25055 9.96776 2.96083 -186.01582 1059.44385
670.0000 -196.90794 -188.09135 8.81658 2.91532 -186.87472 1013.96526
675.0000 -196.25250 -186.31353 9.93897 2.95979 -186.03535 1007.70328
680.0000 -197.44232 -186.42158 11.02074 2.91725 -186.83825 985.42629
685.0000 -197.16181 -185.57855 11.58326 2.98465 -185.56611 1032.99733
690.0000 -198.63845 -186.50872 12.12972 2.94174 -186.37605 1014.51564
695.0000 -198.99243 -188.71511 10.27732 2.83266 -188.43482 955.84968
700.0000 -199.48861 -186.43870 13.04992 2.86065 -187.90667 981.70453
705.0000 -197.12809 -185.89580 11.23229 2.97825 -185.68699 1073.57708
710.0000 -199.13850 -188.21231 10.92619 2.85177 -188.07418 956.42796
715.0000 -198.30302 -189.00845 9.29457 2.82455 -188.58793 938.04626
720.0000 -198.58372 -189.42185 9.16187 2.75163 -189.96425 913.51329
725.0000 -197.33151 -186.27108 11.06043 2.87683 -187.60122 987.25529
730.0000 -197.49420 -186.94225 10.55195 2.93600 -186.48437 1026.29655
735.0000 -198.82376 -188.85182 9.97195 2.79242 -189.19450 931.27081
740.0000 -195.72207 -187.72118 8.00089 2.86991 -187.73181 936.49123
745.0000 -195.88753 -184.19424 11.69330 2.97524 -185.74371 1026.29992
750.0000 -195.91987 -184.46101 11.45886 3.00988 -185.08994 1049.46072
FREEZING PROCESS: loop number 4 T-loop= 985.00000000000000
main_MD> interactions number 4 at Temperature= 985.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.73986 1.82452 4.34454
force_rgl> df(natom) 0.87817 4.47806 0.08220
755.0000 -194.83287 -183.89838 10.93448 3.02971 -184.71575 1071.22198
760.0000 -197.98942 -188.06838 9.92104 3.02711 -184.76482 1056.91973
765.0000 -198.89141 -189.67816 9.21325 2.78892 -189.26055 886.38026
770.0000 -198.37887 -187.32381 11.05506 2.86156 -187.88949 968.58981
775.0000 -197.14668 -186.87340 10.27328 2.89305 -187.29506 1004.73818
780.0000 -198.52527 -188.34853 10.17674 2.87262 -187.68061 997.61890
785.0000 -197.26504 -186.17505 11.08999 2.86402 -187.84304 965.94332
790.0000 -198.57002 -187.22864 11.34139 2.91078 -186.96038 995.31224
795.0000 -198.98823 -188.70627 10.28196 2.86443 -187.83518 976.18591
800.0000 -199.08977 -188.96333 10.12644 2.76312 -189.74746 905.34909
805.0000 -200.32118 -190.17074 10.15045 2.76367 -189.73704 921.82642
810.0000 -198.47721 -189.82360 8.65361 2.80712 -188.91691 955.77197
815.0000 -197.48897 -187.97816 9.51082 2.84699 -188.16437 979.79994
820.0000 -196.04540 -185.41171 10.63369 2.92779 -186.63933 1012.76504
825.0000 -197.76736 -186.29203 11.47532 3.00102 -185.25726 1054.18895
830.0000 -196.85184 -185.00720 11.84464 2.94116 -186.38702 1019.72642
835.0000 -198.16037 -187.73027 10.43010 2.92076 -186.77215 1020.33693
840.0000 -198.67715 -187.06233 11.61482 2.84845 -188.13679 958.23864
845.0000 -199.19329 -187.54726 11.64603 2.90087 -187.14745 980.37357
850.0000 -198.30555 -187.24129 11.06426 2.84643 -188.17492 946.60737
855.0000 -199.86508 -190.10445 9.76063 2.86146 -187.89140 957.18822
860.0000 -200.64673 -190.79007 9.85667 2.67518 -191.40734 843.14939
865.0000 -200.64636 -191.30240 9.34397 2.72103 -190.54194 867.71675
870.0000 -199.62029 -190.61219 9.00810 2.74510 -190.08757 898.93353
875.0000 -198.58884 -189.05654 9.53229 2.76125 -189.78282 913.45089
880.0000 -198.47608 -189.27320 9.20287 2.82551 -188.56984 957.83518
885.0000 -198.69511 -188.17840 10.51670 2.78099 -189.41017 912.14635
890.0000 -200.91324 -190.44402 10.46922 2.78958 -189.24805 924.71544
895.0000 -198.75976 -189.84495 8.91481 2.75054 -189.98490 880.79547
900.0000 -196.84954 -186.76164 10.08791 2.87133 -187.70510 967.72580
905.0000 -198.50803 -187.43607 11.07196 2.94165 -186.37780 1014.31576
910.0000 -197.86102 -187.70708 10.15394 2.92282 -186.73317 1011.61034
915.0000 -199.10117 -188.60943 10.49174 2.87320 -187.66973 965.06100
920.0000 -197.32677 -186.84739 10.47939 2.85447 -188.02317 953.34612
925.0000 -198.66162 -188.04151 10.62011 2.88203 -187.50316 969.72903
930.0000 -197.04264 -186.81016 10.23248 2.95121 -186.19738 1011.36843
935.0000 -196.48567 -186.19461 10.29106 2.90034 -187.15747 976.86557
940.0000 -197.05150 -187.81837 9.23313 2.92378 -186.71510 983.84158
945.0000 -197.13512 -185.52437 11.61075 2.95842 -186.06134 983.43019
950.0000 -195.30801 -185.01354 10.29447 3.03019 -184.70654 1035.41521
955.0000 -196.42697 -187.53573 8.89124 2.90279 -187.11126 967.83345
960.0000 -197.06949 -186.68310 10.38640 2.86660 -187.79426 974.13283
965.0000 -196.77091 -185.13882 11.63209 3.01144 -185.06046 1036.09127
970.0000 -197.79565 -187.30584 10.48981 2.97369 -185.77304 1073.65453
975.0000 -198.37121 -186.98383 11.38738 2.88183 -187.50685 993.80151
980.0000 -198.85130 -189.49589 9.35541 2.87348 -187.66446 974.50613
985.0000 -197.98682 -188.27978 9.70704 2.88139 -187.51518 988.51045
990.0000 -201.32942 -190.96199 10.36743 2.79631 -189.12100 908.13448
995.0000 -199.22479 -190.02935 9.19543 2.70742 -190.79878 878.66658
1000.0000 -199.73615 -189.76727 9.96888 2.73340 -190.30838 904.54766
FREEZING PROCESS: loop number 5 T-loop= 960.00000000000000
main_MD> interactions number 5 at Temperature= 960.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79085 -1.79685 -1.57814
force_rgl> df(natom) -0.17408 -2.73231 -2.96298
1005.0000 -198.64640 -188.44695 10.19945 2.80228 -189.00829 923.76791
1010.0000 -198.93896 -189.48025 9.45871 2.81105 -188.84279 937.95427
1015.0000 -198.34734 -189.00828 9.33906 2.74884 -190.01698 871.64676
1020.0000 -200.65482 -190.13837 10.51645 2.74711 -190.04954 910.02062
1025.0000 -200.95381 -191.21445 9.73936 2.77754 -189.47529 943.78025
1030.0000 -197.74839 -188.08095 9.66744 2.76272 -189.75495 918.08782
1035.0000 -198.87834 -189.72369 9.15465 2.81161 -188.83214 937.22268
1040.0000 -199.24800 -188.86057 10.38744 2.77387 -189.54446 911.84323
1045.0000 -194.04039 -183.61651 10.42389 2.94040 -186.40127 1033.20333
1050.0000 -197.91353 -187.85859 10.05493 2.98674 -185.52680 1044.74067
1055.0000 -198.07180 -186.10522 11.96657 2.89843 -187.19356 994.81463
1060.0000 -196.97013 -186.13000 10.84012 2.93540 -186.49574 1019.75981
1065.0000 -197.66798 -186.94482 10.72315 2.95016 -186.21706 1024.43250
1070.0000 -198.62991 -188.73807 9.89184 2.85888 -187.94006 962.09470
1075.0000 -198.61853 -188.26186 10.35666 2.80811 -188.89829 923.55160
1080.0000 -198.07368 -187.65928 10.41439 2.88265 -187.49143 992.21313
1085.0000 -198.89349 -188.15801 10.73547 2.84515 -188.19912 965.47207
1090.0000 -199.62861 -188.99503 10.63358 2.82339 -188.60988 955.20931
1095.0000 -199.67752 -188.23819 11.43933 2.83077 -188.47049 964.38170
1100.0000 -198.04056 -185.68757 12.35299 2.88391 -187.46758 998.99237
1105.0000 -198.89753 -189.31965 9.57787 2.91404 -186.89892 1006.87479
1110.0000 -197.88222 -187.07561 10.80661 2.84464 -188.20880 953.17646
1115.0000 -199.43006 -190.32744 9.10262 2.77651 -189.49466 895.50917
1120.0000 -199.11288 -190.89467 8.21822 2.76218 -189.76522 876.75097
1125.0000 -198.99439 -190.55993 8.43446 2.72609 -190.44642 893.41339
1130.0000 -198.52014 -188.26836 10.25178 2.81186 -188.82746 926.46365
1135.0000 -197.28978 -187.17253 10.11725 2.86875 -187.75366 960.71508
1140.0000 -195.64111 -186.13603 9.50508 2.94881 -186.24255 1041.84675
1145.0000 -197.96909 -188.37705 9.59204 2.93790 -186.44847 991.31989
1150.0000 -199.94389 -190.56879 9.37510 2.76323 -189.74534 906.92057
1155.0000 -197.29674 -187.21777 10.07897 2.85808 -187.95521 974.94447
1160.0000 -197.87904 -187.29100 10.58804 2.90492 -187.07112 1001.01232
1165.0000 -199.19731 -189.32022 9.87709 2.85833 -187.95035 963.66467
1170.0000 -198.27626 -187.25725 11.01901 2.84720 -188.16038 935.76855
1175.0000 -198.15866 -189.07425 9.08441 2.86599 -187.80577 973.07450
1180.0000 -201.74334 -190.77964 10.96370 2.72350 -190.49533 886.74167
1185.0000 -198.27853 -189.06784 9.21069 2.78147 -189.40102 914.64358
1190.0000 -198.43807 -188.03335 10.40472 2.83176 -188.45183 932.68195
1195.0000 -198.80517 -188.33396 10.47121 2.83511 -188.38864 939.99370
1200.0000 -197.84463 -187.56709 10.27754 2.87410 -187.65273 980.62874
1205.0000 -199.83856 -190.48142 9.35713 2.82813 -188.52048 949.35899
1210.0000 -199.55930 -189.52256 10.03674 2.74439 -190.10096 920.79993
1215.0000 -199.55154 -189.67032 9.88122 2.72602 -190.44762 914.03391
1220.0000 -198.59876 -187.78081 10.81795 2.80663 -188.92627 895.02959
1225.0000 -199.81654 -188.98233 10.83421 2.85716 -187.97239 977.98854
1230.0000 -197.14993 -186.82484 10.32508 2.85302 -188.05063 953.96919
1235.0000 -200.90776 -190.25070 10.65706 2.86431 -187.83761 992.10950
1240.0000 -200.43377 -189.54624 10.88753 2.77872 -189.45303 931.55352
1245.0000 -199.30692 -189.10288 10.20405 2.80414 -188.97312 950.08571
1250.0000 -198.29312 -188.35214 9.94098 2.79526 -189.14078 938.70842
FREEZING PROCESS: loop number 6 T-loop= 935.00000000000000
main_MD> interactions number 6 at Temperature= 935.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92011 3.99609 3.56523
force_rgl> df(natom) -1.84926 -1.03169 0.22717
1255.0000 -198.41162 -187.16086 11.25076 2.89646 -187.23074 1025.68533
1260.0000 -198.90318 -188.00981 10.89337 2.88231 -187.49786 999.68554
1265.0000 -198.01074 -188.33125 9.67949 2.84264 -188.24660 941.73364
1270.0000 -198.48913 -188.13151 10.35762 2.82763 -188.52985 934.27243
1275.0000 -197.19769 -187.14683 10.05086 2.93969 -186.41473 1006.86866
1280.0000 -198.83019 -188.98802 9.84218 2.84899 -188.12666 967.97695
1285.0000 -200.04921 -189.58873 10.46048 2.79606 -189.12565 940.13460
1290.0000 -198.76101 -189.43660 9.32442 2.75101 -189.97596 899.23459
1295.0000 -198.71310 -189.64189 9.07121 2.73318 -190.31257 891.32863
1300.0000 -197.97340 -189.32729 8.64611 2.73296 -190.31670 892.05330
1305.0000 -198.20331 -188.18974 10.01357 2.86483 -187.82774 952.20553
1310.0000 -198.47163 -187.33945 11.13218 2.83042 -188.47714 924.29183
1315.0000 -197.73860 -188.65022 9.08838 2.82180 -188.63986 937.13402
1320.0000 -200.12494 -188.65188 11.47306 2.85473 -188.01839 944.68645
1325.0000 -199.35305 -188.19409 11.15896 2.85479 -188.01730 972.79843
1330.0000 -199.17452 -189.78875 9.38577 2.81889 -188.69482 956.85460
1335.0000 -199.95334 -190.69108 9.26226 2.73402 -190.29673 885.66667
1340.0000 -199.60978 -188.25111 11.35866 2.75049 -189.98581 887.10515
1345.0000 -198.57168 -187.72796 10.84372 2.83111 -188.46411 944.70834
1350.0000 -197.51258 -187.14946 10.36312 2.89017 -187.34951 962.91904
1355.0000 -198.54749 -189.14433 9.40316 2.82411 -188.59627 953.01643
1360.0000 -197.27369 -187.37477 9.89892 2.89082 -187.33719 974.45172
1365.0000 -197.32119 -187.70284 9.61835 2.93499 -186.50340 1014.12191
1370.0000 -196.69377 -186.50735 10.18642 2.89601 -187.23927 979.90200
1375.0000 -199.74476 -189.55826 10.18650 2.84173 -188.26365 950.36105
1380.0000 -200.25181 -189.96697 10.28483 2.74998 -189.99545 918.12599
1385.0000 -197.28911 -188.39205 8.89705 2.77155 -189.58832 921.51081
1390.0000 -199.32077 -190.01708 9.30369 2.81945 -188.68424 937.54233
1395.0000 -198.37185 -189.11758 9.25427 2.77050 -189.60814 939.81451
1400.0000 -199.86000 -190.37159 9.48841 2.76677 -189.67862 892.84268
1405.0000 -197.99199 -189.07596 8.91602 2.76141 -189.77962 893.05879
1410.0000 -199.61824 -188.35163 11.26662 2.82778 -188.52709 939.29568
1415.0000 -198.52462 -189.04592 9.47870 2.80849 -188.89104 934.00688
1420.0000 -197.43727 -187.93784 9.49943 2.83348 -188.41950 949.03629
1425.0000 -199.47686 -188.91540 10.56146 2.81753 -188.72057 938.76638
1430.0000 -199.31541 -188.54937 10.76604 2.78214 -189.38837 951.43371
1435.0000 -198.19184 -187.98337 10.20847 2.79095 -189.22221 917.95609
1440.0000 -197.85632 -187.86669 9.98963 2.89966 -187.17040 970.72253
1445.0000 -198.57575 -189.38415 9.19159 2.79326 -189.17861 902.45059
1450.0000 -200.07733 -190.35114 9.72619 2.72717 -190.42606 879.31312
1455.0000 -197.35493 -188.59577 8.75916 2.84290 -188.24161 947.67218
1460.0000 -197.41726 -187.14507 10.27219 2.80657 -188.92730 919.33302
1465.0000 -199.41832 -190.10104 9.31728 2.84648 -188.17407 963.94478
1470.0000 -200.09166 -189.71279 10.37886 2.72926 -190.38655 877.67756
1475.0000 -199.33679 -190.43090 8.90589 2.75915 -189.82233 897.92380
1480.0000 -198.22288 -189.08553 9.13736 2.79576 -189.13144 941.30398
1485.0000 -201.04229 -191.72144 9.32085 2.74609 -190.06896 921.94206
1490.0000 -199.41227 -190.30929 9.10299 2.66543 -191.59128 835.86884
1495.0000 -198.17771 -187.96106 10.21665 2.84086 -188.28007 939.73466
1500.0000 -197.47125 -189.44656 8.02469 2.79633 -189.12052 919.20888
FREEZING PROCESS: loop number 7 T-loop= 910.00000000000000
main_MD> interactions number 7 at Temperature= 910.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38112 2.12944 -2.46591
force_rgl> df(natom) 1.19069 -0.24567 1.81162
1505.0000 -198.15002 -188.36517 9.78486 2.79911 -189.06818 925.64354
1510.0000 -199.29031 -190.01107 9.27924 2.76605 -189.69218 911.96078
1515.0000 -201.63025 -192.41096 9.21929 2.69404 -191.05138 862.10535
1520.0000 -198.61683 -188.16303 10.45380 2.74384 -190.11143 903.83859
1525.0000 -200.68486 -189.47567 11.20919 2.81305 -188.80511 948.33286
1530.0000 -197.27977 -187.89665 9.38312 2.79372 -189.16993 938.85969
1535.0000 -198.35322 -187.39694 10.95627 2.85388 -188.03446 974.68790
1540.0000 -201.60744 -190.93673 10.67070 2.74270 -190.13287 892.17747
1545.0000 -199.05577 -190.16720 8.88856 2.78092 -189.41147 924.41226
1550.0000 -199.50923 -189.76015 9.74909 2.82311 -188.61509 945.08474
1555.0000 -200.48072 -191.01490 9.46582 2.72189 -190.52573 883.24501
1560.0000 -200.33952 -191.00185 9.33767 2.68674 -191.18906 861.17595
1565.0000 -200.87033 -190.58660 10.28372 2.73279 -190.31989 889.35278
1570.0000 -199.09511 -189.52574 9.56937 2.70159 -190.90882 874.00777
1575.0000 -199.78803 -188.50681 11.28122 2.79273 -189.18861 932.39848
1580.0000 -197.96314 -186.95877 11.00437 2.87665 -187.60460 993.53422
1585.0000 -198.53522 -187.49732 11.03790 2.87737 -187.59098 981.19053
1590.0000 -198.41567 -187.10413 11.31154 2.85730 -187.96989 956.99780
1595.0000 -198.59141 -188.73712 9.85429 2.87316 -187.67040 996.64261
1600.0000 -196.27920 -187.33512 8.94408 2.83825 -188.32935 969.91417
1605.0000 -196.87500 -188.48327 8.39173 2.88585 -187.43102 974.25857
1610.0000 -199.07568 -188.44097 10.63471 2.82103 -188.65447 945.95933
1615.0000 -199.11779 -188.72558 10.39222 2.75434 -189.91325 898.48553
1620.0000 -200.10912 -190.49016 9.61896 2.77463 -189.53017 908.54994
1625.0000 -200.82528 -190.43067 10.39461 2.72564 -190.45476 884.41549
1630.0000 -199.29216 -189.92317 9.36900 2.74064 -190.17179 894.46878
1635.0000 -197.53715 -188.10030 9.43685 2.86142 -187.89213 964.55624
1640.0000 -197.91862 -188.29821 9.62041 2.85303 -188.05037 951.77224
1645.0000 -198.56353 -189.02957 9.53397 2.85848 -187.94749 954.21891
1650.0000 -199.40223 -189.32433 10.07789 2.78352 -189.36239 910.30394
1655.0000 -199.38118 -188.39558 10.98560 2.79975 -189.05598 914.68685
1660.0000 -199.59924 -189.11463 10.48461 2.88821 -187.38641 1013.95057
1665.0000 -199.30117 -190.75615 8.54502 2.73449 -190.28785 873.79011
1670.0000 -197.76586 -188.72647 9.03938 2.77502 -189.52289 910.24363
1675.0000 -199.23693 -189.12669 10.11024 2.83687 -188.35545 950.56710
1680.0000 -199.20248 -190.10846 9.09402 2.75418 -189.91609 893.94369
1685.0000 -200.08551 -189.85130 10.23422 2.74741 -190.04401 896.55965
1690.0000 -199.73763 -190.69757 9.04005 2.74635 -190.06395 897.63479
1695.0000 -199.79925 -190.78057 9.01868 2.69434 -191.04557 846.21098
1700.0000 -199.90296 -189.48172 10.42124 2.77101 -189.59852 922.40594
1705.0000 -199.65193 -190.42091 9.23103 2.73356 -190.30543 895.59822
1710.0000 -200.78974 -190.11390 10.67585 2.77216 -189.57690 904.81633
1715.0000 -198.43357 -190.35182 8.08175 2.77033 -189.61136 899.18105
1720.0000 -200.00789 -189.01877 10.98913 2.78032 -189.42279 940.99400
1725.0000 -197.12783 -188.03375 9.09408 2.88895 -187.37237 1006.45900
1730.0000 -198.41827 -188.05454 10.36373 2.83175 -188.45217 932.02625
1735.0000 -199.49935 -188.73726 10.76209 2.83077 -188.47049 966.28406
1740.0000 -198.39888 -189.05599 9.34289 2.79167 -189.20860 913.55685
1745.0000 -198.12308 -188.12786 9.99521 2.78870 -189.26466 968.75034
1750.0000 -198.39946 -188.53723 9.86223 2.81706 -188.72937 960.31477
FREEZING PROCESS: loop number 8 T-loop= 885.00000000000000
main_MD> interactions number 8 at Temperature= 885.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.67666 -2.06611 -2.79507
force_rgl> df(natom) 0.31504 -0.33855 -1.51459
1755.0000 -198.70356 -190.39301 8.31055 2.75504 -189.89987 911.75314
1760.0000 -197.91428 -189.69314 8.22113 2.75319 -189.93490 875.31931
1765.0000 -198.14912 -188.82815 9.32097 2.77532 -189.51726 909.29733
1770.0000 -198.13730 -188.36455 9.77275 2.75118 -189.97289 882.86280
1775.0000 -198.55714 -189.42746 9.12968 2.85763 -187.96359 950.68658
1780.0000 -200.53908 -190.61897 9.92011 2.72331 -190.49875 857.76415
1785.0000 -199.99356 -190.12664 9.86692 2.71143 -190.72297 861.98080
1790.0000 -199.61865 -189.20607 10.41259 2.72482 -190.47028 887.60926
1795.0000 -200.63963 -191.39150 9.24813 2.76505 -189.71103 925.11017
1800.0000 -201.10418 -191.22179 9.88239 2.67715 -191.37005 832.45316
1805.0000 -199.98634 -189.89581 10.09054 2.73039 -190.36523 882.89573
1810.0000 -200.94830 -192.25325 8.69505 2.64228 -192.02826 850.27862
1815.0000 -201.87756 -192.25813 9.61943 2.65453 -191.79693 848.41278
1820.0000 -198.36797 -187.19054 11.17743 2.76132 -189.78134 921.92805
1825.0000 -198.25355 -189.31033 8.94322 2.84254 -188.24836 964.15273
1830.0000 -198.45726 -189.27272 9.18453 2.78766 -189.28421 906.21616
1835.0000 -199.02917 -188.97627 10.05290 2.81455 -188.77677 927.04903
1840.0000 -198.87912 -187.63951 11.23961 2.84304 -188.23891 924.12768
1845.0000 -198.87007 -189.60869 9.26137 2.82235 -188.62945 969.92122
1850.0000 -200.43287 -192.21534 8.21753 2.69153 -191.09871 853.31291
1855.0000 -200.02418 -191.20434 8.81984 2.65816 -191.72842 828.76544
1860.0000 -197.55227 -187.82366 9.72861 2.76928 -189.63126 894.20718
1865.0000 -199.24991 -190.10965 9.14026 2.76862 -189.64358 899.42370
1870.0000 -200.19669 -192.44365 7.75304 2.71265 -190.70002 881.12678
1875.0000 -198.64305 -188.66656 9.97649 2.72613 -190.44559 870.40264
1880.0000 -200.70474 -192.06988 8.63485 2.70577 -190.82997 863.19887
1885.0000 -199.28207 -190.61387 8.66821 2.64096 -192.05307 817.98277
1890.0000 -200.48403 -190.94974 9.53428 2.69669 -191.00133 886.45695
1895.0000 -200.08235 -191.43307 8.64928 2.66726 -191.55674 821.69910
1900.0000 -201.64457 -193.27768 8.36690 2.65286 -191.82851 852.01431
1905.0000 -202.15404 -193.12718 9.02687 2.55376 -193.69902 780.03525
1910.0000 -200.77991 -191.35806 9.42185 2.62412 -192.37107 807.45855
1915.0000 -201.15210 -192.59883 8.55328 2.61865 -192.47416 821.37607
1920.0000 -200.75626 -191.84142 8.91484 2.61977 -192.45308 832.60458
1925.0000 -200.60637 -191.36274 9.24363 2.70123 -190.91560 839.57704
1930.0000 -201.24076 -192.37282 8.86794 2.65695 -191.75130 846.14323
1935.0000 -200.68670 -192.04683 8.63986 2.59512 -192.91840 799.49849
1940.0000 -201.08412 -192.11571 8.96841 2.59298 -192.95866 809.04113
1945.0000 -200.83932 -192.25255 8.58676 2.65100 -191.86363 837.64827
1950.0000 -200.41546 -192.46775 7.94771 2.60962 -192.64462 801.75093
1955.0000 -201.22542 -192.62006 8.60536 2.65785 -191.73444 832.04855
1960.0000 -202.49208 -194.71854 7.77355 2.51497 -194.43108 746.72551
1965.0000 -202.85479 -194.52257 8.33222 2.55450 -193.68495 782.52665
1970.0000 -202.77534 -193.77123 9.00411 2.58382 -193.13164 796.09019
1975.0000 -200.59499 -192.01428 8.58071 2.61666 -192.51186 817.13797
1980.0000 -200.94009 -192.05766 8.88243 2.65031 -191.87664 828.49683
1985.0000 -198.99809 -189.54347 9.45462 2.76376 -189.73539 908.30597
1990.0000 -198.06275 -187.62937 10.43338 2.80443 -188.96768 940.46104
1995.0000 -197.98739 -188.43922 9.54818 2.84160 -188.26612 945.67980
2000.0000 -199.27350 -189.43643 9.83707 2.79764 -189.09593 941.71024
FREEZING PROCESS: loop number 9 T-loop= 860.00000000000000
main_MD> interactions number 9 at Temperature= 860.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76605 -2.37241 -1.40519
force_rgl> df(natom) -10.60309 0.42424 7.44073
2005.0000 -197.95840 -189.92073 8.03767 2.76727 -189.66905 893.60341
2010.0000 -200.39097 -192.08486 8.30611 2.64524 -191.97235 829.07561
2015.0000 -201.12105 -192.08128 9.03977 2.65751 -191.74086 850.40907
2020.0000 -201.57444 -191.26662 10.30781 2.67159 -191.47497 870.63758
2025.0000 -199.65614 -190.34247 9.31367 2.74547 -190.08051 901.95537
2030.0000 -201.62472 -191.83907 9.78565 2.70137 -190.91299 881.33328
2035.0000 -201.00163 -190.58629 10.41534 2.73026 -190.36773 877.63648
2040.0000 -198.97621 -189.69961 9.27661 2.73123 -190.34935 885.21239
2045.0000 -198.53503 -189.78668 8.74835 2.78224 -189.38648 913.71559
2050.0000 -200.22136 -189.07427 11.14709 2.76513 -189.70948 894.26323
2055.0000 -199.85169 -189.97812 9.87357 2.79707 -189.10667 938.75538
2060.0000 -201.99582 -191.82886 10.16695 2.69810 -190.97463 856.14752
2065.0000 -199.92047 -191.89256 8.02791 2.67208 -191.46576 844.75226
2070.0000 -200.26999 -191.18372 9.08628 2.63620 -192.14302 830.69228
2075.0000 -199.60169 -190.32258 9.27911 2.73018 -190.36923 884.90742
2080.0000 -201.34058 -191.58437 9.75621 2.69768 -190.98250 868.37490
2085.0000 -200.47811 -190.88682 9.59130 2.70314 -190.87954 870.34160
2090.0000 -201.26208 -192.84383 8.41825 2.64714 -191.93642 826.41167
2095.0000 -199.39334 -190.26756 9.12579 2.68089 -191.29944 842.51053
2100.0000 -199.70021 -190.11122 9.58899 2.74419 -190.10474 885.86583
2105.0000 -198.97173 -189.78716 9.18458 2.76864 -189.64329 879.61845
2110.0000 -198.98861 -189.98291 9.00569 2.74241 -190.13834 881.93107
2115.0000 -197.95567 -189.12123 8.83444 2.73605 -190.25829 891.16702
2120.0000 -198.11571 -189.59825 8.51746 2.79508 -189.14418 895.39673
2125.0000 -200.13345 -191.46265 8.67080 2.72583 -190.45134 904.02979
2130.0000 -200.07769 -191.89851 8.17918 2.68467 -191.22815 857.73564
2135.0000 -199.74494 -191.59573 8.14921 2.65270 -191.83156 814.41144
2140.0000 -198.88224 -189.24349 9.63875 2.73986 -190.18643 899.16662
2145.0000 -197.64785 -188.37667 9.27118 2.77930 -189.44204 924.13190
2150.0000 -200.20009 -191.41512 8.78497 2.74778 -190.03698 890.02796
2155.0000 -199.38585 -190.40693 8.97892 2.72568 -190.45414 879.06201
2160.0000 -199.37184 -191.17974 8.19210 2.70417 -190.86005 857.24018
2165.0000 -202.21800 -193.25585 8.96216 2.61006 -192.63640 797.54642
2170.0000 -201.66398 -194.26966 7.39432 2.57775 -193.24625 786.79657
2175.0000 -201.37028 -192.54890 8.82139 2.62839 -192.29034 857.05459
2180.0000 -200.46479 -191.24470 9.22009 2.63487 -192.16803 833.31730
2185.0000 -199.23457 -191.24579 7.98878 2.69904 -190.95690 852.93000
2190.0000 -198.91227 -191.65118 7.26109 2.68721 -191.18026 848.10257
2195.0000 -200.25202 -190.88421 9.36780 2.68461 -191.22928 848.16421
2200.0000 -199.42216 -190.24553 9.17663 2.70950 -190.75944 890.66399
2205.0000 -200.06838 -190.20867 9.85971 2.73490 -190.28003 899.65881
2210.0000 -201.03947 -192.14752 8.89195 2.66547 -191.59059 844.70561
2215.0000 -199.35823 -190.87653 8.48170 2.63587 -192.14921 815.18900
2220.0000 -201.87049 -192.14381 9.72668 2.66217 -191.65285 850.70728
2225.0000 -202.39352 -193.42182 8.97170 2.58649 -193.08133 775.41449
2230.0000 -200.41005 -191.08430 9.32575 2.63863 -192.09707 830.12310
2235.0000 -200.12115 -190.47653 9.64462 2.72539 -190.45948 864.18540
2240.0000 -198.93862 -190.17204 8.76658 2.75331 -189.93256 888.91228
2245.0000 -200.80576 -192.08309 8.72267 2.75883 -189.82840 892.29340
2250.0000 -201.56898 -192.05133 9.51765 2.62153 -192.41980 833.84239
FREEZING PROCESS: loop number 10 T-loop= 835.00000000000000
main_MD> interactions number 10 at Temperature= 835.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.58440 0.02496 -0.49143
force_rgl> df(natom) 0.82525 -0.45525 -0.18539
2255.0000 -200.21505 -190.30716 9.90789 2.69875 -190.96233 894.76567
2260.0000 -200.48933 -190.74663 9.74270 2.69116 -191.10564 859.99518
2265.0000 -199.85506 -190.49634 9.35872 2.65724 -191.74580 832.19550
2270.0000 -200.01968 -190.88374 9.13594 2.70207 -190.89976 865.86937
2275.0000 -200.55112 -191.64302 8.90810 2.67871 -191.34056 829.79078
2280.0000 -200.70643 -191.27226 9.43418 2.67263 -191.45531 858.85090
2285.0000 -199.68730 -191.75761 7.92969 2.68671 -191.18969 879.68002
2290.0000 -201.16275 -192.21324 8.94951 2.63216 -192.21931 809.93247
2295.0000 -200.53309 -192.69749 7.83560 2.61590 -192.52606 800.26220
2300.0000 -201.75635 -193.92269 7.83365 2.56754 -193.43900 799.26501
2305.0000 -201.57069 -192.36767 9.20302 2.62397 -192.37392 800.95891
2310.0000 -201.35273 -192.20677 9.14596 2.63130 -192.23542 838.00530
2315.0000 -200.80170 -191.46605 9.33566 2.65893 -191.71403 831.16847
2320.0000 -199.60288 -191.74693 7.85594 2.65069 -191.86953 834.36555
2325.0000 -200.12128 -191.26655 8.85473 2.64352 -192.00488 838.42857
2330.0000 -198.73230 -190.13891 8.59339 2.71569 -190.64265 882.57428
2335.0000 -201.20219 -192.47724 8.72495 2.72921 -190.38756 868.99050
2340.0000 -200.47745 -191.18785 9.28960 2.64204 -192.03274 810.31078
2345.0000 -200.92052 -190.17122 10.74930 2.71924 -190.57572 870.27670
2350.0000 -200.03182 -189.97051 10.06131 2.71200 -190.71239 882.82454
2355.0000 -200.70891 -190.09111 10.61780 2.70148 -190.91085 873.17943
2360.0000 -199.01273 -189.10658 9.90615 2.76897 -189.63710 899.75726
2365.0000 -199.95552 -191.23610 8.71942 2.74180 -190.14978 890.04857
2370.0000 -200.77585 -192.22478 8.55107 2.69898 -190.95813 864.93135
2375.0000 -200.12149 -191.57702 8.54446 2.64400 -191.99579 821.05630
2380.0000 -199.68498 -189.03383 10.65115 2.66668 -191.56778 827.24561
2385.0000 -198.48670 -187.38123 11.10547 2.81520 -188.76446 921.20308
2390.0000 -199.22213 -189.67236 9.54977 2.79775 -189.09390 942.15487
2395.0000 -200.24062 -191.10258 9.13804 2.72670 -190.43486 878.60736
2400.0000 -199.44944 -190.24122 9.20822 2.71749 -190.60877 889.02373
2405.0000 -199.10185 -189.95701 9.14484 2.80647 -188.92920 921.70356
2410.0000 -200.00778 -191.10519 8.90260 2.74633 -190.06440 889.50466
2415.0000 -201.14476 -192.56963 8.57513 2.63655 -192.13630 839.26248
2420.0000 -201.35664 -192.78336 8.57328 2.64521 -191.97285 844.53510
2425.0000 -201.06631 -192.43619 8.63012 2.65299 -191.82617 853.81928
2430.0000 -201.46660 -192.82986 8.63673 2.62349 -192.38293 833.48193
2435.0000 -200.45043 -191.99582 8.45460 2.64247 -192.02473 825.88960
2440.0000 -199.81637 -192.93540 6.88097 2.63267 -192.20956 822.20243
2445.0000 -201.40685 -191.74800 9.65885 2.60441 -192.74301 802.97017
2450.0000 -201.45494 -192.71432 8.74062 2.64883 -191.90461 828.88297
2455.0000 -200.57647 -191.77302 8.80345 2.61858 -192.47550 802.62397
2460.0000 -201.33005 -194.04672 7.28334 2.59923 -192.84077 775.33221
2465.0000 -199.88306 -191.27149 8.61157 2.61760 -192.49403 796.56525
2470.0000 -201.16486 -191.90496 9.25990 2.69275 -191.07559 875.38103
2475.0000 -202.46508 -192.64788 9.81720 2.61587 -192.52668 813.77582
2480.0000 -200.78885 -191.65744 9.13142 2.61848 -192.47747 820.65503
2485.0000 -201.04580 -192.50278 8.54302 2.62054 -192.43852 815.90484
2490.0000 -201.62627 -191.68257 9.94369 2.64031 -192.06536 826.80905
2495.0000 -200.82324 -192.14691 8.67633 2.65513 -191.78566 821.40463
2500.0000 -200.44358 -192.68758 7.75601 2.63044 -192.25174 821.17947
FREEZING PROCESS: loop number 11 T-loop= 810.00000000000000
main_MD> interactions number 11 at Temperature= 810.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.46650 -0.36809 -1.78559
force_rgl> df(natom) 1.72855 0.55999 -1.63303
2505.0000 -201.86594 -193.04926 8.81668 2.58833 -193.04646 770.67260
2510.0000 -201.76705 -194.01003 7.75701 2.56934 -193.40503 781.94031
2515.0000 -200.65046 -190.87377 9.77669 2.60941 -192.64865 797.57540
2520.0000 -200.19212 -191.07474 9.11737 2.67947 -191.32621 853.93512
2525.0000 -201.86223 -192.03318 9.82905 2.66393 -191.61955 860.14469
2530.0000 -200.89450 -192.38732 8.50718 2.65686 -191.75299 851.93036
2535.0000 -200.49249 -192.28640 8.20609 2.66433 -191.61204 869.57060
2540.0000 -201.35819 -192.90740 8.45079 2.59190 -192.97907 804.25602
2545.0000 -201.15641 -192.85544 8.30096 2.58535 -193.10280 799.29512
2550.0000 -201.54618 -194.63328 6.91290 2.57962 -193.21100 794.35545
2555.0000 -200.58750 -191.88336 8.70414 2.58204 -193.16527 798.08562
2560.0000 -201.14125 -191.51680 9.62445 2.66811 -191.54079 858.16975
2565.0000 -200.67860 -192.82297 7.85563 2.63490 -192.16744 842.77376
2570.0000 -201.16885 -191.88175 9.28710 2.62166 -192.41736 813.85495
2575.0000 -200.18083 -191.25426 8.92657 2.67164 -191.47400 849.16261
2580.0000 -200.25028 -191.63522 8.61505 2.65385 -191.80982 826.92417
2585.0000 -200.71685 -190.95704 9.75981 2.64898 -191.90187 838.10990
2590.0000 -200.36046 -190.27234 10.08812 2.74262 -190.13440 896.12795
2595.0000 -201.22110 -192.60814 8.61297 2.69405 -191.05111 867.28342
2600.0000 -197.74836 -190.40661 7.34175 2.67926 -191.33030 822.10796
2605.0000 -202.00362 -193.99301 8.01061 2.61742 -192.49737 807.52542
2610.0000 -201.19699 -191.93969 9.25729 2.58508 -193.10779 789.12164
2615.0000 -200.95095 -191.84842 9.10253 2.65779 -191.73547 838.50801
2620.0000 -201.24451 -191.07897 10.16554 2.65006 -191.88138 833.51649
2625.0000 -201.92046 -194.97077 6.94969 2.61018 -192.63415 798.42641
2630.0000 -201.40223 -193.95319 7.44904 2.57057 -193.38167 779.41645
2635.0000 -201.08173 -191.63705 9.44468 2.62608 -192.33409 811.75465
2640.0000 -201.13637 -192.35134 8.78503 2.64721 -191.93518 830.19228
2645.0000 -201.22822 -193.24931 7.97891 2.59713 -192.88051 782.74212
2650.0000 -201.50169 -192.83361 8.66808 2.54253 -193.91103 768.63785
2655.0000 -200.68618 -192.10617 8.58000 2.62553 -192.34442 816.17204
2660.0000 -202.48455 -193.40891 9.07564 2.62699 -192.31676 820.21960
2665.0000 -200.45434 -192.42507 8.02927 2.61445 -192.55358 801.08953
2670.0000 -201.46903 -193.57411 7.89492 2.63142 -192.23325 814.13684
2675.0000 -199.93255 -191.03529 8.89727 2.63720 -192.12417 820.92911
2680.0000 -200.81415 -192.75783 8.05632 2.60819 -192.67163 807.13443
2685.0000 -201.89480 -192.90360 8.99120 2.59462 -192.92788 804.92400
2690.0000 -200.25154 -191.52529 8.72625 2.59815 -192.86114 782.89615
2695.0000 -199.93977 -190.98963 8.95014 2.69695 -190.99635 849.76239
2700.0000 -199.74155 -191.11076 8.63079 2.67926 -191.33029 830.56486
2705.0000 -200.85983 -191.68107 9.17877 2.70490 -190.84627 837.27572
2710.0000 -201.67838 -193.28511 8.39327 2.60648 -192.70396 793.67446
2715.0000 -202.14494 -192.70778 9.43716 2.56350 -193.51508 781.65540
2720.0000 -201.38013 -192.15372 9.22641 2.61953 -192.45767 782.53867
2725.0000 -202.27283 -192.97712 9.29572 2.61834 -192.48007 812.24472
2730.0000 -202.41039 -193.31778 9.09261 2.59208 -192.97571 816.17829
2735.0000 -200.85575 -192.72672 8.12903 2.62117 -192.42672 819.92517
2740.0000 -201.34917 -191.67111 9.67806 2.58115 -193.18200 794.19775
2745.0000 -199.88710 -191.75607 8.13103 2.64383 -191.99891 838.49218
2750.0000 -200.07443 -190.92919 9.14525 2.67168 -191.47324 851.14897
FREEZING PROCESS: loop number 12 T-loop= 785.00000000000000
main_MD> interactions number 12 at Temperature= 785.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84550 -1.70154 -1.40119
force_rgl> df(natom) -1.24234 -0.73790 -1.02515
2755.0000 -201.59396 -191.89792 9.69604 2.66257 -191.64526 838.60368
2760.0000 -202.01538 -193.19171 8.82367 2.58642 -193.08250 817.79247
2765.0000 -201.85521 -192.88857 8.96665 2.60468 -192.73795 798.35884
2770.0000 -201.74789 -193.88498 7.86292 2.56662 -193.45637 799.70408
2775.0000 -202.26547 -194.22071 8.04476 2.50108 -194.69335 746.40574
2780.0000 -202.48635 -195.22910 7.25725 2.53452 -194.06219 755.10470
2785.0000 -200.58005 -192.74513 7.83492 2.53003 -194.14681 753.01265
2790.0000 -201.76891 -193.16278 8.60613 2.58913 -193.03136 788.57326
2795.0000 -201.16217 -193.85021 7.31196 2.53533 -194.04681 767.75530
2800.0000 -201.05800 -192.06796 8.99004 2.60346 -192.76088 797.93434
2805.0000 -201.68523 -192.82839 8.85684 2.64362 -192.00289 839.73063
2810.0000 -202.42547 -193.63666 8.78881 2.56888 -193.41360 781.58767
2815.0000 -200.91387 -193.34153 7.57234 2.51912 -194.35289 745.23710
2820.0000 -202.60354 -192.87969 9.72385 2.56825 -193.42543 795.17041
2825.0000 -202.42429 -192.94834 9.47595 2.58622 -193.08631 810.38233
2830.0000 -199.87283 -191.34294 8.52989 2.60678 -192.69837 811.83393
2835.0000 -200.45365 -192.34291 8.11074 2.65075 -191.86843 835.61452
2840.0000 -201.20486 -192.80904 8.39582 2.63085 -192.24406 814.37098
2845.0000 -202.12858 -194.24878 7.87980 2.61050 -192.62809 798.94447
2850.0000 -199.90998 -191.00521 8.90477 2.56377 -193.51003 744.79598
2855.0000 -200.49479 -192.80022 7.69457 2.64879 -191.90544 820.38136
2860.0000 -202.68435 -194.46847 8.21588 2.60562 -192.72016 822.30883
2865.0000 -202.11545 -193.78696 8.32849 2.53713 -194.01294 787.41881
2870.0000 -202.26424 -194.03447 8.22977 2.52800 -194.18519 758.43590
2875.0000 -200.86802 -193.65402 7.21400 2.54919 -193.78519 786.90797
2880.0000 -203.39787 -194.26444 9.13343 2.49396 -194.82773 749.09873
2885.0000 -203.07701 -193.92104 9.15598 2.50289 -194.65923 767.10267
2890.0000 -201.80492 -194.14451 7.66041 2.51362 -194.45672 754.38100
2895.0000 -200.93426 -192.57362 8.36064 2.57702 -193.25990 778.64356
2900.0000 -201.82083 -193.82877 7.99206 2.55170 -193.73796 751.26327
2905.0000 -202.20544 -192.79079 9.41465 2.58497 -193.10989 765.65111
2910.0000 -201.81098 -192.31108 9.49990 2.56323 -193.52032 783.00835
2915.0000 -202.22811 -194.23062 7.99749 2.56010 -193.57930 773.41466
2920.0000 -203.16160 -194.81400 8.34759 2.44785 -195.69793 723.43129
2925.0000 -201.89620 -191.78021 10.11599 2.58682 -193.07508 812.05511
2930.0000 -200.63971 -191.84473 8.79497 2.65081 -191.86717 851.84004
2935.0000 -200.65045 -191.17946 9.47098 2.61940 -192.46001 814.27946
2940.0000 -201.94641 -193.41601 8.53040 2.64243 -192.02533 858.61312
2945.0000 -199.38917 -191.35971 8.02946 2.61520 -192.53944 785.01122
2950.0000 -202.45075 -194.94773 7.50302 2.58031 -193.19782 786.39040
2955.0000 -201.46376 -192.82684 8.63691 2.53148 -194.11953 743.01410
2960.0000 -200.01700 -193.23838 6.77862 2.53459 -194.06092 780.61653
2965.0000 -203.42739 -195.92660 7.50079 2.51419 -194.44585 739.47257
2970.0000 -202.62659 -194.72540 7.90119 2.47061 -195.26843 704.46732
2975.0000 -201.23589 -193.41771 7.81818 2.57096 -193.37445 787.67360
2980.0000 -200.99683 -192.46948 8.52734 2.59168 -192.98325 800.85843
2985.0000 -199.52973 -190.76271 8.76702 2.70830 -190.78209 859.68799
2990.0000 -201.55201 -192.31346 9.23855 2.62562 -192.34264 817.55576
2995.0000 -198.47201 -189.82997 8.64204 2.67803 -191.35345 850.57902
3000.0000 -201.39412 -193.14139 8.25273 2.63661 -192.13535 870.57386
FREEZING PROCESS: loop number 13 T-loop= 760.00000000000000
main_MD> interactions number 13 at Temperature= 760.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.99186 1.95943 -3.22779
force_rgl> df(natom) 1.60259 -0.90799 -1.98467
3005.0000 -202.64089 -194.19753 8.44336 2.52428 -194.25540 758.42009
3010.0000 -203.25363 -194.65814 8.59549 2.50428 -194.63287 738.48662
3015.0000 -201.04533 -193.41349 7.63183 2.54392 -193.88469 752.03228
3020.0000 -201.79349 -193.97820 7.81528 2.56314 -193.52195 785.80288
3025.0000 -202.46680 -195.20163 7.26516 2.48694 -194.96011 734.17480
3030.0000 -201.70591 -193.37896 8.32695 2.54701 -193.82647 786.64857
3035.0000 -200.68343 -191.87034 8.81309 2.65230 -191.83917 837.76926
3040.0000 -202.10189 -193.68566 8.41623 2.61505 -192.54219 832.91583
3045.0000 -203.39004 -195.40362 7.98642 2.51995 -194.33719 757.04687
3050.0000 -201.72723 -193.46208 8.26515 2.53949 -193.96836 737.28244
3055.0000 -201.32187 -193.63015 7.69172 2.57305 -193.33501 778.39958
3060.0000 -200.26856 -191.45234 8.81622 2.61199 -192.60003 791.54124
3065.0000 -202.25736 -193.38166 8.87570 2.63829 -192.10350 827.72274
3070.0000 -202.95047 -195.52965 7.42082 2.50345 -194.64863 768.04113
3075.0000 -202.26879 -195.05270 7.21609 2.47040 -195.27247 723.40469
3080.0000 -202.40931 -194.20857 8.20074 2.43099 -196.01627 706.80782
3085.0000 -201.02330 -192.25348 8.76982 2.55528 -193.67029 776.34827
3090.0000 -202.53289 -193.56681 8.96608 2.59990 -192.82809 830.41144
3095.0000 -201.89412 -193.24574 8.64838 2.58180 -193.16968 812.49023
3100.0000 -201.39496 -193.80159 7.59336 2.56206 -193.54236 810.42843
3105.0000 -202.20701 -195.20497 7.00204 2.52530 -194.23613 754.70920
3110.0000 -202.99758 -194.74637 8.25121 2.47550 -195.17618 709.25606
3115.0000 -202.63959 -194.38446 8.25514 2.49229 -194.85932 716.33398
3120.0000 -202.48890 -193.09499 9.39392 2.52841 -194.17743 778.69062
3125.0000 -201.98006 -193.29404 8.68601 2.57521 -193.29414 804.95174
3130.0000 -200.85425 -192.44699 8.40726 2.58370 -193.13387 804.75317
3135.0000 -201.62609 -193.36261 8.26348 2.60608 -192.71152 792.56706
3140.0000 -201.57615 -192.82183 8.75432 2.55147 -193.74215 738.26536
3145.0000 -202.68725 -194.39793 8.28933 2.55957 -193.58931 773.16973
3150.0000 -202.44492 -194.45935 7.98558 2.52018 -194.33289 745.97457
3155.0000 -202.02896 -194.39533 7.63363 2.51581 -194.41534 742.86393
3160.0000 -201.60575 -194.51241 7.09333 2.50399 -194.63844 730.65363
3165.0000 -202.55356 -193.59311 8.96045 2.51437 -194.44247 741.36654
3170.0000 -203.22229 -193.87364 9.34865 2.57529 -193.29270 807.06081
3175.0000 -202.14581 -194.13089 8.01492 2.57066 -193.38006 783.04814
3180.0000 -202.13289 -192.97036 9.16253 2.57588 -193.28150 800.65507
3185.0000 -200.91942 -192.81940 8.10002 2.61272 -192.58609 795.19595
3190.0000 -201.49738 -193.19939 8.29799 2.57444 -193.30870 805.30787
3195.0000 -203.04177 -195.14624 7.89553 2.52235 -194.29191 776.75586
3200.0000 -201.81829 -193.99273 7.82556 2.50399 -194.63836 747.42978
3205.0000 -202.04814 -193.34011 8.70802 2.57382 -193.32045 795.95849
3210.0000 -202.78433 -194.73685 8.04748 2.50565 -194.60714 761.24136
3215.0000 -202.62698 -193.85243 8.77455 2.54687 -193.82909 759.37895
3220.0000 -203.31205 -194.66699 8.64506 2.51381 -194.45296 775.47099
3225.0000 -202.02777 -195.21478 6.81299 2.50256 -194.66544 753.91621
3230.0000 -201.72244 -193.56853 8.15391 2.51766 -194.38031 737.08607
3235.0000 -201.44238 -191.18738 10.25500 2.60237 -192.78159 809.66742
3240.0000 -201.20478 -192.84959 8.35519 2.63352 -192.19349 816.71719
3245.0000 -202.76248 -193.92821 8.83428 2.57971 -193.20912 802.06804
3250.0000 -201.35106 -193.41801 7.93306 2.53436 -194.06511 766.53413
FREEZING PROCESS: loop number 14 T-loop= 735.00000000000000
main_MD> interactions number 14 at Temperature= 735.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09899 1.94996 -4.24994
force_rgl> df(natom) 1.99292 -6.26711 2.55262
3255.0000 -203.13957 -195.21491 7.92466 2.52798 -194.18555 770.74988
3260.0000 -201.13182 -193.93111 7.20072 2.49442 -194.81908 728.39549
3265.0000 -201.80803 -194.69804 7.11000 2.51133 -194.49981 737.03651
3270.0000 -202.08866 -192.62381 9.46485 2.56020 -193.57748 791.12056
3275.0000 -201.70902 -195.39616 6.31285 2.52440 -194.25315 749.85525
3280.0000 -203.27726 -194.83776 8.43949 2.51105 -194.50516 757.86757
3285.0000 -203.97731 -195.84748 8.12983 2.50897 -194.54431 741.54731
3290.0000 -203.21846 -195.01173 8.20673 2.47300 -195.22332 720.52125
3295.0000 -202.23037 -195.16193 7.06844 2.49940 -194.72509 751.14513
3300.0000 -204.10205 -197.24512 6.85693 2.41590 -196.30108 681.54094
3305.0000 -203.83167 -195.52166 8.31001 2.41043 -196.40427 670.81544
3310.0000 -203.87673 -197.08843 6.78831 2.43567 -195.92781 664.44541
3315.0000 -202.62989 -195.09919 7.53071 2.44318 -195.78617 693.69619
3320.0000 -202.53255 -194.41641 8.11615 2.45102 -195.63813 717.23523
3325.0000 -203.79995 -195.73428 8.06567 2.44342 -195.78169 716.35971
3330.0000 -203.74953 -195.36981 8.37972 2.44447 -195.76179 719.03326
3335.0000 -203.46017 -195.78811 7.67206 2.44741 -195.70623 713.61652
3340.0000 -201.74844 -194.27155 7.47689 2.48277 -195.03890 716.72109
3345.0000 -200.75151 -192.34918 8.40233 2.58923 -193.02956 792.78953
3350.0000 -202.99541 -195.60432 7.39109 2.54150 -193.93046 783.63977
3355.0000 -203.73542 -194.09040 9.64503 2.49772 -194.75668 747.89474
3360.0000 -203.73604 -196.78333 6.95272 2.48046 -195.08249 724.94224
3365.0000 -203.55928 -196.28901 7.27027 2.39326 -196.72828 672.41921
3370.0000 -203.41049 -196.13334 7.27715 2.45895 -195.48845 712.61558
3375.0000 -203.58023 -197.36475 6.21548 2.43533 -195.93438 679.60108
3380.0000 -203.46958 -196.51242 6.95716 2.36473 -197.26687 645.39479
3385.0000 -203.62066 -196.23341 7.38725 2.41461 -196.32536 694.86585
3390.0000 -202.75770 -196.15671 6.60098 2.42501 -196.12901 711.43285
3395.0000 -201.68671 -194.07257 7.61414 2.50545 -194.61080 750.61513
3400.0000 -202.62836 -195.40804 7.22032 2.51926 -194.35010 766.68145
3405.0000 -204.44082 -197.21569 7.22512 2.40721 -196.46501 682.99745
3410.0000 -204.14111 -197.26959 6.87152 2.37654 -197.04393 669.59606
3415.0000 -203.74583 -194.92734 8.81849 2.46810 -195.31573 738.06234
3420.0000 -203.55322 -195.88355 7.66967 2.46298 -195.41237 727.85024
3425.0000 -201.35476 -194.04704 7.30772 2.50602 -194.60013 757.92253
3430.0000 -203.44583 -195.23575 8.21008 2.51085 -194.50886 763.67509
3435.0000 -202.55764 -195.00725 7.55039 2.48138 -195.06507 745.99725
3440.0000 -202.23383 -193.40093 8.83290 2.51905 -194.35414 767.07590
3445.0000 -201.58628 -194.00349 7.58279 2.52059 -194.32505 743.65418
3450.0000 -202.96212 -194.74987 8.21225 2.53607 -194.03291 762.00669
3455.0000 -203.05228 -196.07971 6.97258 2.47497 -195.18617 702.09213
3460.0000 -203.03829 -195.54238 7.49591 2.45883 -195.49070 722.16607
3465.0000 -202.22320 -195.08929 7.13391 2.50594 -194.60162 736.28762
3470.0000 -204.03165 -196.32287 7.70879 2.45789 -195.50857 694.09772
3475.0000 -202.60672 -194.27887 8.32786 2.47289 -195.22544 744.94789
3480.0000 -201.78063 -195.64621 6.13442 2.48935 -194.91474 722.91237
3485.0000 -201.79620 -193.88178 7.91442 2.54347 -193.89328 741.79139
3490.0000 -201.85015 -195.67870 6.17145 2.49106 -194.88248 733.21979
3495.0000 -203.57979 -195.82202 7.75778 2.46202 -195.43064 707.55932
3500.0000 -202.20416 -194.25618 7.94798 2.48803 -194.93961 760.30778
FREEZING PROCESS: loop number 15 T-loop= 710.00000000000000
main_MD> interactions number 15 at Temperature= 710.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.42187 -3.07885 0.61918
force_rgl> df(natom) 0.58848 -1.56618 2.27141
3505.0000 -202.74956 -195.55773 7.19183 2.48772 -194.94551 735.18046
3510.0000 -201.48704 -194.97071 6.51633 2.48951 -194.91174 733.57859
3515.0000 -202.99646 -194.78986 8.20659 2.49213 -194.86224 746.62676
3520.0000 -204.88511 -196.20803 8.67709 2.46207 -195.42960 709.27252
3525.0000 -202.80266 -195.88875 6.91392 2.45803 -195.50589 721.91971
3530.0000 -204.00621 -195.35341 8.65280 2.47640 -195.15909 734.02023
3535.0000 -202.59926 -194.91056 7.68870 2.51029 -194.51952 718.46149
3540.0000 -202.97678 -194.85184 8.12495 2.48333 -195.02838 735.68814
3545.0000 -203.92102 -196.09806 7.82296 2.47113 -195.25866 708.91970
3550.0000 -202.73492 -195.47170 7.26322 2.46416 -195.39007 711.73054
3555.0000 -204.94130 -196.50414 8.43716 2.43143 -196.00802 707.33778
3560.0000 -202.16719 -195.71138 6.45581 2.41720 -196.27649 700.48839
3565.0000 -203.99635 -196.96201 7.03434 2.41449 -196.32773 687.43067
3570.0000 -203.87427 -196.97350 6.90078 2.39057 -196.77919 678.75525
3575.0000 -203.09913 -196.27514 6.82399 2.43949 -195.85571 684.57924
3580.0000 -203.56017 -196.01741 7.54276 2.40230 -196.55777 652.91020
3585.0000 -203.27474 -195.46009 7.81466 2.43445 -195.95100 696.47565
3590.0000 -203.76863 -196.70996 7.05867 2.44143 -195.81926 676.69215
3595.0000 -202.79865 -193.56297 9.23568 2.52000 -194.33624 771.62205
3600.0000 -202.28537 -194.25461 8.03076 2.54799 -193.80783 755.04191
3605.0000 -202.33563 -194.73311 7.60251 2.51791 -194.37568 747.56520
3610.0000 -203.85413 -195.83797 8.01616 2.44867 -195.68253 726.62451
3615.0000 -203.20420 -196.43180 6.77240 2.40843 -196.44207 685.99222
3620.0000 -202.78263 -194.74913 8.03349 2.44759 -195.70299 703.91067
3625.0000 -202.56988 -195.14634 7.42354 2.46367 -195.39936 709.15629
3630.0000 -203.80286 -195.74845 8.05441 2.42784 -196.07566 673.36102
3635.0000 -204.04874 -195.62563 8.42311 2.45608 -195.54270 716.30285
3640.0000 -202.29160 -193.48769 8.80391 2.47869 -195.11592 738.78590
3645.0000 -202.47407 -195.36562 7.10844 2.49605 -194.78830 744.81085
3650.0000 -202.28128 -194.11674 8.16453 2.48236 -195.04661 717.89490
3655.0000 -203.72151 -195.83829 7.88322 2.48111 -195.07019 722.69369
3660.0000 -201.44861 -194.54423 6.90438 2.47744 -195.13951 718.88257
3665.0000 -201.85680 -193.47953 8.37726 2.54915 -193.78601 773.53651
3670.0000 -202.24296 -192.73342 9.50954 2.56556 -193.47637 775.56307
3675.0000 -200.82707 -193.67597 7.15110 2.56786 -193.43289 760.77446
3680.0000 -202.58888 -195.73606 6.85282 2.48478 -195.00094 728.36858
3685.0000 -201.07513 -194.09328 6.98185 2.48400 -195.01562 735.96349
3690.0000 -204.11768 -195.84585 8.27183 2.48974 -194.90734 744.46744
3695.0000 -205.67921 -197.31189 8.36732 2.40221 -196.55952 695.73404
3700.0000 -205.29980 -197.89871 7.40109 2.33155 -197.89314 643.98052
3705.0000 -204.66551 -197.81623 6.84928 2.34835 -197.57599 653.76185
3710.0000 -202.52788 -195.84894 6.67895 2.38017 -196.97540 689.67427
3715.0000 -204.76742 -198.21461 6.55281 2.36710 -197.22204 667.92686
3720.0000 -201.92796 -193.80932 8.11864 2.40403 -196.52500 702.52261
3725.0000 -202.08379 -195.33426 6.74953 2.47221 -195.23827 738.22051
3730.0000 -202.70263 -195.66356 7.03907 2.46143 -195.44167 718.00539
3735.0000 -203.92682 -196.22983 7.69699 2.49526 -194.80316 730.29703
3740.0000 -204.28620 -197.04179 7.24442 2.42597 -196.11091 688.03667
3745.0000 -203.75919 -196.19458 7.56461 2.35124 -197.52140 636.79875
3750.0000 -204.27196 -196.69456 7.57740 2.43157 -196.00535 698.78338
FREEZING PROCESS: loop number 16 T-loop= 685.00000000000000
main_MD> interactions number 16 at Temperature= 685.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.38265 -0.19284 1.29913
force_rgl> df(natom) 3.77861 -0.58856 -1.17137
3755.0000 -204.00264 -197.36180 6.64085 2.38435 -196.89658 685.11604
3760.0000 -203.14451 -195.14092 8.00360 2.42052 -196.21377 674.31278
3765.0000 -202.97811 -194.65718 8.32093 2.49080 -194.88733 730.83848
3770.0000 -202.33936 -194.38178 7.95758 2.51351 -194.45871 739.84034
3775.0000 -201.34915 -194.30302 7.04613 2.48203 -195.05281 734.16729
3780.0000 -204.50080 -197.59044 6.91036 2.41832 -196.25535 691.92543
3785.0000 -203.93195 -196.46791 7.46404 2.40876 -196.43575 684.21896
3790.0000 -204.74003 -196.74552 7.99452 2.41600 -196.29907 714.90942
3795.0000 -203.90902 -197.24746 6.66156 2.34159 -197.70355 647.09460
3800.0000 -203.26131 -195.83845 7.42286 2.40161 -196.57074 661.56445
3805.0000 -203.04977 -195.19344 7.85633 2.43768 -195.88998 718.72137
3810.0000 -203.63456 -196.15867 7.47589 2.41913 -196.24013 712.99676
3815.0000 -203.40872 -196.05355 7.35517 2.43869 -195.87091 701.70200
3820.0000 -202.50555 -195.52790 6.97765 2.45558 -195.55211 704.54134
3825.0000 -204.28097 -198.23659 6.04438 2.37494 -197.07416 663.08504
3830.0000 -203.92644 -196.81430 7.11213 2.36140 -197.32972 661.43445
3835.0000 -203.25255 -195.03570 8.21685 2.41122 -196.38932 699.00847
3840.0000 -202.30972 -194.42435 7.88537 2.53475 -194.05783 775.20006
3845.0000 -204.00802 -196.50461 7.50341 2.47678 -195.15200 722.25550
3850.0000 -204.60332 -197.46033 7.14299 2.31571 -198.19205 637.24237
3855.0000 -204.55068 -196.54877 8.00191 2.38908 -196.80726 686.93493
3860.0000 -202.59831 -195.95789 6.64042 2.41670 -196.28598 691.51335
3865.0000 -202.49444 -195.54094 6.95349 2.42618 -196.10711 704.35042
3870.0000 -201.80015 -194.51335 7.28680 2.45627 -195.53908 714.27439
3875.0000 -202.77736 -195.58743 7.18993 2.46105 -195.44887 722.53217
3880.0000 -203.21679 -196.15814 7.05865 2.43413 -195.95692 692.28684
3885.0000 -202.66026 -195.32408 7.33618 2.48557 -194.98613 730.95001
3890.0000 -203.35691 -195.91294 7.44397 2.44157 -195.81649 706.49797
3895.0000 -203.65781 -195.85983 7.79798 2.41006 -196.41135 707.85162
3900.0000 -204.47993 -196.55248 7.92745 2.40405 -196.52474 695.79250
3905.0000 -203.35300 -195.49285 7.86015 2.41688 -196.28255 682.32569
3910.0000 -202.66699 -196.67190 5.99508 2.43436 -195.95262 693.27833
3915.0000 -204.49988 -197.74526 6.75462 2.38240 -196.93336 667.23330
3920.0000 -204.55888 -196.91147 7.64741 2.33132 -197.89750 634.95591
3925.0000 -205.53499 -198.02137 7.51362 2.36182 -197.32177 643.72149
3930.0000 -203.91979 -198.07453 5.84526 2.33693 -197.79166 650.04090
3935.0000 -202.97185 -195.99963 6.97222 2.40653 -196.47784 667.71158
3940.0000 -202.15667 -195.78449 6.37218 2.46763 -195.32463 714.80586
3945.0000 -204.25964 -196.27698 7.98267 2.42647 -196.10155 717.11916
3950.0000 -202.38946 -195.35603 7.03343 2.43488 -195.94288 687.91989
3955.0000 -202.70402 -195.00638 7.69763 2.46031 -195.46284 691.43497
3960.0000 -202.56019 -195.56653 6.99367 2.46753 -195.32647 707.14662
3965.0000 -203.76842 -196.55527 7.21316 2.42696 -196.09235 695.58463
3970.0000 -202.99051 -196.37661 6.61390 2.43125 -196.01124 682.33075
3975.0000 -203.60417 -197.58142 6.02276 2.35110 -197.52411 656.86468
3980.0000 -204.53149 -197.22387 7.30762 2.35510 -197.44859 635.28835
3985.0000 -203.22194 -196.28284 6.93910 2.37771 -197.02183 659.64031
3990.0000 -205.11813 -197.46026 7.65787 2.39505 -196.69462 681.94014
3995.0000 -205.33172 -197.97127 7.36045 2.33551 -197.81834 650.14038
4000.0000 -204.51538 -197.97702 6.53836 2.34099 -197.71493 657.20102
FREEZING PROCESS: loop number 17 T-loop= 660.00000000000000
main_MD> interactions number 17 at Temperature= 660.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74653 0.39627 -0.31823
force_rgl> df(natom) -0.71973 -0.50746 -0.10261
4005.0000 -204.42528 -197.65832 6.76696 2.33739 -197.78284 636.10442
4010.0000 -204.48639 -196.57239 7.91400 2.40170 -196.56897 669.05010
4015.0000 -204.69983 -197.67922 7.02061 2.38109 -196.95800 646.12320
4020.0000 -202.82754 -195.86998 6.95756 2.38836 -196.82095 653.99854
4025.0000 -203.97706 -197.14217 6.83489 2.40910 -196.42949 659.28428
4030.0000 -204.48464 -197.62031 6.86433 2.34782 -197.58609 636.72509
4035.0000 -202.95047 -196.20144 6.74903 2.36221 -197.31438 668.09488
4040.0000 -204.78145 -197.61330 7.16815 2.37708 -197.03384 674.27339
4045.0000 -205.02353 -198.50744 6.51610 2.29301 -198.62060 617.21305
4050.0000 -204.51955 -197.16043 7.35912 2.34442 -197.65011 655.78262
4055.0000 -203.35364 -195.97610 7.37754 2.39199 -196.75240 672.64966
4060.0000 -203.35508 -196.55670 6.79839 2.39358 -196.72229 680.72628
4065.0000 -205.89217 -198.27814 7.61403 2.37257 -197.11888 678.64666
4070.0000 -205.03825 -197.85168 7.18657 2.31891 -198.13164 638.74921
4075.0000 -204.87853 -198.41596 6.46257 2.31453 -198.21431 623.50844
4080.0000 -205.22536 -199.38505 5.84032 2.27226 -199.01214 606.39830
4085.0000 -205.63228 -198.20707 7.42522 2.30761 -198.34489 632.84847
4090.0000 -204.59674 -198.87937 5.71737 2.31870 -198.13570 647.85698
4095.0000 -203.50197 -197.10503 6.39694 2.33314 -197.86318 632.73287
4100.0000 -204.32715 -197.84862 6.47853 2.35847 -197.38506 653.09321
4105.0000 -205.44169 -198.60423 6.83746 2.32174 -198.07837 622.79802
4110.0000 -204.29542 -197.68283 6.61259 2.31952 -198.12013 640.52943
4115.0000 -204.14552 -196.51161 7.63391 2.36319 -197.29595 657.63840
4120.0000 -203.72040 -197.22741 6.49299 2.37807 -197.01512 673.30057
4125.0000 -204.97422 -198.07165 6.90258 2.35681 -197.41641 675.91921
4130.0000 -203.83559 -196.81006 7.02553 2.35070 -197.53159 675.81413
4135.0000 -204.81041 -197.62432 7.18609 2.41026 -196.40742 683.86659
4140.0000 -203.81930 -197.78686 6.03244 2.35346 -197.47951 648.26122
4145.0000 -202.83959 -195.65611 7.18348 2.38504 -196.88355 647.74848
4150.0000 -203.16886 -195.91640 7.25246 2.46804 -195.31691 707.03601
4155.0000 -203.45300 -196.19484 7.25816 2.44594 -195.73415 674.49817
4160.0000 -203.28619 -196.08530 7.20089 2.43633 -195.91542 699.25685
4165.0000 -204.61596 -196.57117 8.04479 2.42880 -196.05751 701.97785
4170.0000 -203.00931 -196.26674 6.74257 2.40118 -196.57880 688.48826
4175.0000 -205.01750 -197.32180 7.69570 2.39885 -196.62292 680.58169
4180.0000 -203.39026 -197.20353 6.18673 2.39744 -196.64954 677.85611
4185.0000 -203.93561 -196.09904 7.83657 2.44098 -195.82766 684.30082
4190.0000 -203.48299 -196.51261 6.97037 2.42982 -196.03827 692.74901
4195.0000 -203.53634 -196.50780 7.02853 2.41756 -196.26968 703.50515
4200.0000 -203.75759 -196.02181 7.73577 2.42147 -196.19599 720.33619
4205.0000 -205.11062 -198.25164 6.85898 2.33558 -197.81707 667.27971
4210.0000 -203.46445 -196.43647 7.02798 2.37238 -197.12256 682.21345
4215.0000 -204.39545 -197.02734 7.36811 2.38816 -196.82464 687.04752
4220.0000 -202.99978 -196.79755 6.20224 2.41161 -196.38204 698.48276
4225.0000 -204.09907 -196.27832 7.82075 2.42357 -196.15622 701.98795
4230.0000 -204.81270 -198.73742 6.07528 2.33959 -197.74127 637.86511
4235.0000 -205.20446 -198.77230 6.43215 2.27704 -198.92198 593.70607
4240.0000 -204.39208 -197.77670 6.61538 2.32390 -198.03751 625.91383
4245.0000 -203.99824 -197.38032 6.61792 2.36495 -197.26262 655.94399
4250.0000 -203.52947 -196.23254 7.29693 2.33348 -197.85678 634.06578
FREEZING PROCESS: loop number 18 T-loop= 635.00000000000000
main_MD> interactions number 18 at Temperature= 635.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32347 -1.56543 -1.88989
force_rgl> df(natom) -0.38521 -0.58969 2.22053
4255.0000 -204.70648 -197.68097 7.02551 2.34556 -197.62859 637.22518
4260.0000 -205.55806 -197.91184 7.64622 2.30634 -198.36888 619.63900
4265.0000 -203.56641 -197.00954 6.55687 2.35006 -197.54368 656.58401
4270.0000 -204.54225 -198.15315 6.38910 2.35808 -197.39237 659.08913
4275.0000 -204.19197 -197.10481 7.08716 2.33339 -197.85845 602.63055
4280.0000 -205.17842 -198.17987 6.99855 2.35705 -197.41187 656.48725
4285.0000 -205.13493 -199.44324 5.69169 2.32273 -198.05959 647.45798
4290.0000 -205.36201 -198.65639 6.70562 2.29606 -198.56290 613.19211
4295.0000 -204.83813 -198.54024 6.29790 2.33510 -197.82618 635.99276
4300.0000 -206.60571 -199.21222 7.39349 2.25565 -199.32577 600.58925
4305.0000 -205.43582 -197.27356 8.16226 2.28846 -198.70641 629.27974
4310.0000 -205.22800 -198.38190 6.84610 2.31344 -198.23491 653.39877
4315.0000 -205.56032 -199.38774 6.17259 2.31681 -198.17141 632.79559
4320.0000 -204.61270 -198.59934 6.01336 2.28023 -198.86175 600.01304
4325.0000 -205.26198 -199.51096 5.75102 2.26792 -199.09414 580.97652
4330.0000 -206.38975 -199.52565 6.86410 2.27468 -198.96646 619.36938
4335.0000 -204.94862 -198.67620 6.27242 2.25673 -199.30537 609.81865
4340.0000 -204.91772 -199.04418 5.87354 2.27261 -199.00564 611.78078
4345.0000 -205.40472 -198.43202 6.97269 2.29448 -198.59287 616.08191
4350.0000 -205.41982 -199.33983 6.07999 2.27270 -199.00397 609.13527
4355.0000 -206.30231 -199.77513 6.52718 2.23439 -199.72697 596.05745
4360.0000 -205.42282 -199.37453 6.04829 2.24672 -199.49426 575.72204
4365.0000 -205.02213 -199.38191 5.64022 2.26938 -199.06652 601.73444
4370.0000 -205.05601 -198.48870 6.56731 2.23120 -199.78726 565.43555
4375.0000 -203.01523 -196.75703 6.25819 2.35594 -197.43269 638.53327
4380.0000 -204.21374 -198.24082 5.97292 2.35488 -197.45275 646.87272
4385.0000 -204.41164 -199.39608 5.01556 2.28463 -198.77875 592.95498
4390.0000 -205.24145 -200.04539 5.19607 2.25297 -199.37631 567.71996
4395.0000 -204.94093 -198.73316 6.20777 2.26105 -199.22380 597.53868
4400.0000 -204.90970 -197.55506 7.35464 2.32163 -198.08030 647.88615
4405.0000 -205.15329 -198.99086 6.16244 2.29619 -198.56055 610.12141
4410.0000 -204.81036 -198.27504 6.53532 2.29662 -198.55247 612.40835
4415.0000 -203.94302 -197.29283 6.65020 2.36987 -197.16983 657.97443
4420.0000 -204.52676 -198.65221 5.87455 2.36416 -197.27763 638.03353
4425.0000 -204.87606 -197.83779 7.03827 2.32856 -197.94954 631.82788
4430.0000 -204.71018 -198.75870 5.95148 2.29629 -198.55859 605.32178
4435.0000 -205.22369 -197.78062 7.44307 2.33491 -197.82976 648.42967
4440.0000 -205.87880 -198.31789 7.56091 2.29544 -198.57469 615.06911
4445.0000 -204.06632 -197.42974 6.63658 2.33886 -197.75519 628.84653
4450.0000 -205.07329 -198.16343 6.90986 2.34279 -197.68088 633.77256
4455.0000 -205.77261 -198.80983 6.96279 2.29500 -198.58302 621.54447
4460.0000 -204.93488 -198.37074 6.56414 2.28074 -198.85215 614.18986
4465.0000 -204.09020 -197.43349 6.65670 2.30447 -198.40429 618.08104
4470.0000 -205.96556 -198.91238 7.05318 2.33805 -197.77049 645.66639
4475.0000 -205.20141 -199.03793 6.16348 2.25600 -199.31916 588.73483
4480.0000 -204.31245 -196.96032 7.35213 2.33241 -197.87696 632.78956
4485.0000 -205.06738 -198.05935 7.00803 2.35827 -197.38875 647.71661
4490.0000 -205.19972 -197.98067 7.21905 2.34792 -197.58412 633.10852
4495.0000 -205.34658 -199.59231 5.75428 2.28393 -198.79192 617.01466
4500.0000 -203.85095 -197.40482 6.44613 2.29955 -198.49715 631.63872
FREEZING PROCESS: loop number 19 T-loop= 610.00000000000000
main_MD> interactions number 19 at Temperature= 610.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80392 -1.48779 2.00405
force_rgl> df(natom) -0.85092 -1.40610 -0.35016
4505.0000 -205.79251 -198.84353 6.94898 2.32886 -197.94381 649.62623
4510.0000 -205.96127 -198.04913 7.91214 2.29286 -198.62329 629.00177
4515.0000 -205.51116 -198.06201 7.44915 2.31371 -198.22979 649.15578
4520.0000 -205.78181 -199.48440 6.29741 2.32710 -197.97718 656.96261
4525.0000 -206.10530 -198.15867 7.94663 2.24788 -199.47237 607.86629
4530.0000 -204.51506 -198.07741 6.43765 2.31434 -198.21800 625.37893
4535.0000 -203.46289 -197.28772 6.17517 2.32932 -197.93521 640.65770
4540.0000 -205.37566 -198.69885 6.67681 2.32779 -197.96405 629.63950
4545.0000 -205.10134 -197.98075 7.12059 2.30893 -198.32014 621.54950
4550.0000 -204.39197 -196.74218 7.64979 2.32397 -198.03624 628.66485
4555.0000 -204.84475 -198.61340 6.23135 2.34046 -197.72498 653.39004
4560.0000 -205.86376 -199.02156 6.84220 2.24376 -199.55010 576.38713
4565.0000 -204.72898 -197.14441 7.58457 2.34476 -197.64371 639.00656
4570.0000 -204.36577 -197.02020 7.34558 2.36024 -197.35167 654.37191
4575.0000 -203.86973 -197.15385 6.71589 2.36430 -197.27503 643.56446
4580.0000 -203.31811 -196.17441 7.14370 2.37617 -197.05099 654.96690
4585.0000 -205.06127 -198.18770 6.87358 2.37634 -197.04777 640.72785
4590.0000 -203.29186 -197.14723 6.14463 2.33789 -197.77348 632.68009
4595.0000 -203.77164 -197.20913 6.56251 2.36527 -197.25660 648.33808
4600.0000 -204.36718 -198.26723 6.09995 2.33691 -197.79198 623.18503
4605.0000 -202.74448 -196.37445 6.37003 2.38166 -196.94722 662.07669
4610.0000 -205.58870 -198.46423 7.12446 2.27536 -198.95368 588.56485
4615.0000 -204.66025 -197.83344 6.82680 2.31932 -198.12401 625.30285
4620.0000 -206.07022 -199.30949 6.76073 2.31404 -198.22358 634.61852
4625.0000 -205.74567 -198.77670 6.96897 2.26665 -199.11805 596.24564
4630.0000 -204.88034 -196.86799 8.01235 2.30171 -198.45639 631.55099
4635.0000 -204.39259 -197.21376 7.17884 2.37338 -197.10358 636.71981
4640.0000 -204.25955 -197.63305 6.62650 2.34494 -197.64029 640.02553
4645.0000 -204.60930 -198.45865 6.15065 2.33219 -197.88096 641.58855
4650.0000 -204.96725 -198.75542 6.21184 2.27688 -198.92498 596.91922
4655.0000 -205.93252 -199.12750 6.80502 2.32270 -198.06010 639.85331
4660.0000 -205.02006 -197.94894 7.07113 2.28098 -198.84766 602.56665
4665.0000 -205.91776 -198.32012 7.59764 2.35599 -197.43182 655.29517
4670.0000 -204.84735 -197.75634 7.09101 2.33387 -197.84937 616.57600
4675.0000 -204.56081 -197.84160 6.71921 2.34227 -197.69085 635.14956
4680.0000 -205.90479 -198.70891 7.19587 2.31354 -198.23301 607.48504
4685.0000 -205.53249 -199.22479 6.30770 2.25912 -199.26017 596.24722
4690.0000 -205.42423 -198.47638 6.94785 2.30611 -198.37326 597.18567
4695.0000 -205.10697 -199.10294 6.00404 2.33063 -197.91048 618.03903
4700.0000 -204.50966 -198.21758 6.29208 2.30992 -198.30144 607.12272
4705.0000 -205.68459 -199.56238 6.12220 2.27787 -198.90629 600.27678
4710.0000 -203.76610 -198.09942 5.66667 2.27850 -198.89436 579.61822
4715.0000 -204.39478 -197.55733 6.83745 2.30690 -198.35833 599.30221
4720.0000 -205.04726 -197.89845 7.14881 2.35757 -197.40202 651.04001
4725.0000 -205.72495 -199.05123 6.67372 2.30629 -198.36989 628.97390
4730.0000 -205.92207 -199.70395 6.21812 2.26482 -199.15253 583.84511
4735.0000 -205.27833 -199.54052 5.73781 2.22027 -199.99339 573.60109
4740.0000 -205.05732 -198.34733 6.70999 2.27431 -198.97353 610.58320
4745.0000 -205.73461 -199.01767 6.71694 2.26894 -199.07490 622.74582
4750.0000 -206.16878 -200.26017 5.90861 2.24018 -199.61777 589.46578
FREEZING PROCESS: loop number 20 T-loop= 585.00000000000000
main_MD> interactions number 20 at Temperature= 585.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.31291 -2.12407 -0.38326
force_rgl> df(natom) 0.92164 -0.12879 2.85959
4755.0000 -206.25592 -200.01632 6.23959 2.20802 -200.22472 565.94555
4760.0000 -204.40643 -198.96864 5.43779 2.23497 -199.71599 561.50182
4765.0000 -205.29560 -197.79703 7.49857 2.27183 -199.02030 594.64124
4770.0000 -205.33340 -198.81400 6.51940 2.30000 -198.48862 607.19195
4775.0000 -204.98040 -198.09339 6.88701 2.31940 -198.12243 620.09815
4780.0000 -205.13666 -198.55527 6.58139 2.29619 -198.56052 624.84694
4785.0000 -205.56665 -199.73418 5.83247 2.27053 -199.04484 598.29481
4790.0000 -205.28986 -199.61124 5.67862 2.22496 -199.90501 577.41531
4795.0000 -205.91000 -200.39742 5.51258 2.22484 -199.90718 552.78096
4800.0000 -205.07398 -199.20341 5.87057 2.24815 -199.46724 568.56369
4805.0000 -205.24481 -200.35945 4.88537 2.21804 -200.03555 570.91024
4810.0000 -205.93968 -200.29021 5.64947 2.18478 -200.66339 559.01411
4815.0000 -205.93463 -200.74356 5.19107 2.20310 -200.31758 562.32824
4820.0000 -205.92426 -200.55454 5.36972 2.19614 -200.44893 537.79794
4825.0000 -204.98946 -199.49945 5.49001 2.19413 -200.48684 551.77048
4830.0000 -204.83916 -198.10885 6.73031 2.22637 -199.87825 575.30568
4835.0000 -205.52944 -199.76179 5.76765 2.27890 -198.88687 610.18458
4840.0000 -205.90503 -199.88044 6.02459 2.22585 -199.88808 554.76286
4845.0000 -205.46479 -198.91904 6.54575 2.25718 -199.29681 586.41646
4850.0000 -205.98790 -199.25753 6.73037 2.29646 -198.55550 591.48844
4855.0000 -206.01396 -200.47140 5.54256 2.23520 -199.71167 574.37377
4860.0000 -205.97090 -200.43429 5.53662 2.22083 -199.98290 566.37441
4865.0000 -205.59738 -198.88184 6.71553 2.21723 -200.05079 563.67945
4870.0000 -206.07461 -199.78069 6.29392 2.25310 -199.37375 580.67242
4875.0000 -204.61941 -198.64536 5.97405 2.27061 -199.04327 591.31568
4880.0000 -204.67625 -198.61962 6.05663 2.29348 -198.61173 603.86129
4885.0000 -205.43767 -200.02628 5.41139 2.27622 -198.93736 587.64647
4890.0000 -206.15637 -200.27081 5.88556 2.20523 -200.27725 532.59353
4895.0000 -206.30312 -199.39800 6.90512 2.22268 -199.94795 555.74311
4900.0000 -206.70458 -199.97667 6.72791 2.18457 -200.66728 555.28785
4905.0000 -205.41557 -199.66770 5.74787 2.21340 -200.12314 573.49780
4910.0000 -206.37675 -199.21166 7.16509 2.25502 -199.33766 584.52857
4915.0000 -205.77972 -199.27396 6.50576 2.27736 -198.91594 621.90699
4920.0000 -205.23474 -200.16072 5.07402 2.25443 -199.34866 581.11596
4925.0000 -205.20939 -199.66162 5.54777 2.22492 -199.90574 541.41547
4930.0000 -205.33030 -199.89860 5.43170 2.20866 -200.21256 541.38209
4935.0000 -206.13350 -200.21436 5.91914 2.18057 -200.74282 569.60274
4940.0000 -206.30828 -200.45161 5.85667 2.19534 -200.46402 588.69205
4945.0000 -207.25118 -201.13088 6.12030 2.17675 -200.81485 579.61972
4950.0000 -207.48813 -201.05136 6.43677 2.16274 -201.07930 550.78551
4955.0000 -207.19019 -199.48226 7.70793 2.18910 -200.58182 606.64077
4960.0000 -206.26030 -199.12887 7.13143 2.22723 -199.86202 618.94343
4965.0000 -206.12759 -200.21487 5.91272 2.26512 -199.14690 636.05632
4970.0000 -206.24172 -199.69019 6.55153 2.23087 -199.79336 600.30587
4975.0000 -205.94207 -199.43572 6.50635 2.24956 -199.44064 623.21938
4980.0000 -205.82177 -198.87424 6.94753 2.22420 -199.91924 614.82498
4985.0000 -205.81259 -200.43276 5.37983 2.22617 -199.88216 577.96896
4990.0000 -206.06305 -200.11571 5.94734 2.20318 -200.31608 538.48694
4995.0000 -206.07692 -200.27238 5.80454 2.22045 -199.99003 558.89582
5000.0000 -205.19583 -199.37771 5.81811 2.19187 -200.52942 528.74341
FREEZING PROCESS: loop number 21 T-loop= 560.00000000000000
main_MD> interactions number 21 at Temperature= 560.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94217 -6.40405 -4.74293
force_rgl> df(natom) -0.21454 -0.87313 1.34851
5005.0000 -206.55391 -201.01403 5.53988 2.21647 -200.06517 560.68531
5010.0000 -205.47054 -200.14001 5.33053 2.19260 -200.51567 560.67847
5015.0000 -206.85170 -201.28539 5.56631 2.19691 -200.43438 549.16663
5020.0000 -206.42032 -200.39168 6.02865 2.17359 -200.87448 540.47189
5025.0000 -205.42150 -199.17197 6.24952 2.23105 -199.78998 586.76455
5030.0000 -205.40192 -200.12160 5.28033 2.22270 -199.94764 576.04621
5035.0000 -205.65956 -200.05629 5.60327 2.23275 -199.75786 566.40474
5040.0000 -205.83337 -199.46260 6.37077 2.28065 -198.85384 594.19061
5045.0000 -205.48393 -198.53299 6.95094 2.28831 -198.70923 594.76247
5050.0000 -204.32226 -198.03492 6.28734 2.32597 -197.99844 635.76479
5055.0000 -206.41322 -199.84321 6.57001 2.27538 -198.95322 593.58382
5060.0000 -206.20800 -200.23103 5.97697 2.20841 -200.21734 578.20612
5065.0000 -205.74394 -199.94072 5.80322 2.22777 -199.85191 588.58869
5070.0000 -205.62217 -199.67178 5.95039 2.24858 -199.45920 604.91245
5075.0000 -204.83056 -199.25428 5.57628 2.24815 -199.46721 599.38607
5080.0000 -206.03583 -200.30534 5.73049 2.24325 -199.55981 601.09338
5085.0000 -206.10855 -200.18196 5.92659 2.21075 -200.17320 563.16745
5090.0000 -205.65096 -200.02816 5.62280 2.22207 -199.95952 545.09971
5095.0000 -205.50423 -198.80797 6.69626 2.25905 -199.26155 574.52970
5100.0000 -206.39708 -199.63586 6.76122 2.22804 -199.84678 566.11768
5105.0000 -205.49136 -200.14314 5.34822 2.23896 -199.64069 561.08982
5110.0000 -206.60427 -200.71028 5.89399 2.19098 -200.54628 566.72716
5115.0000 -207.97024 -202.59134 5.37889 2.10649 -202.14106 527.34147
5120.0000 -206.52176 -201.17332 5.34844 2.10381 -202.19151 515.15748
5125.0000 -207.81407 -201.76070 6.05337 2.17968 -200.75965 566.54619
5130.0000 -209.11502 -203.60089 5.51413 2.10076 -202.24912 515.02516
5135.0000 -208.59860 -204.35565 4.24295 2.01838 -203.80399 477.99539
5140.0000 -207.50201 -202.66045 4.84157 2.03280 -203.53181 476.70536
5145.0000 -208.90372 -203.34917 5.55456 2.06772 -202.87278 499.13855
5150.0000 -207.66812 -202.57933 5.08879 2.09252 -202.40461 547.20941
5155.0000 -208.00116 -202.27510 5.72606 2.07721 -202.69374 525.34875
5160.0000 -207.91126 -202.21048 5.70078 2.09667 -202.32644 520.40209
5165.0000 -206.82537 -201.33822 5.48715 2.13338 -201.63339 538.62335
5170.0000 -207.63496 -201.29147 6.34349 2.14704 -201.37568 546.19341
5175.0000 -206.17974 -201.30496 4.87478 2.16226 -201.08847 563.16917
5180.0000 -207.85838 -202.82694 5.03144 2.09680 -202.32384 519.29929
5185.0000 -208.55111 -202.86824 5.68287 2.08165 -202.60980 518.55873
5190.0000 -207.33612 -201.50979 5.82633 2.09105 -202.43241 524.25245
5195.0000 -207.01227 -201.75492 5.25735 2.11822 -201.91960 537.30363
5200.0000 -206.67061 -200.88619 5.78442 2.18568 -200.64638 557.95543
5205.0000 -205.47369 -200.01019 5.46349 2.18400 -200.67802 552.69411
5210.0000 -206.45775 -199.90513 6.55262 2.22715 -199.86365 575.82767
5215.0000 -205.88235 -199.54854 6.33381 2.22963 -199.81689 577.32403
5220.0000 -204.88619 -199.16815 5.71804 2.23094 -199.79217 557.39797
5225.0000 -205.87935 -199.58723 6.29212 2.25037 -199.42528 574.05679
5230.0000 -205.98280 -200.05690 5.92590 2.22556 -199.89360 577.59107
5235.0000 -206.56575 -200.78547 5.78028 2.21082 -200.17186 586.67658
5240.0000 -207.40919 -201.24658 6.16261 2.15394 -201.24540 548.81450
5245.0000 -206.95322 -200.15183 6.80139 2.18817 -200.59938 568.82097
5250.0000 -207.11330 -201.69042 5.42288 2.14786 -201.36023 523.99495
FREEZING PROCESS: loop number 22 T-loop= 535.00000000000000
main_MD> interactions number 22 at Temperature= 535.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15541 1.05775 3.03634
force_rgl> df(natom) 2.58344 -3.74062 -3.65781
5255.0000 -207.48425 -202.03785 5.44640 2.11737 -201.93568 495.23878
5260.0000 -206.90165 -200.22550 6.67616 2.15783 -201.17207 526.10236
5265.0000 -206.67503 -201.19200 5.48303 2.19345 -200.49975 538.97006
5270.0000 -206.94831 -201.33374 5.61457 2.15100 -201.30084 507.43526
5275.0000 -207.03432 -200.56602 6.46830 2.19682 -200.43607 558.12239
5280.0000 -206.34226 -200.16843 6.17383 2.19983 -200.37925 560.59694
5285.0000 -207.03889 -201.54648 5.49241 2.15663 -201.19468 537.30574
5290.0000 -207.37705 -202.50897 4.86808 2.12921 -201.71228 507.08682
5295.0000 -207.00930 -201.26694 5.74236 2.12926 -201.71122 519.71561
5300.0000 -207.05379 -200.60356 6.45022 2.13676 -201.56963 537.92088
5305.0000 -206.97572 -201.39144 5.58428 2.20267 -200.32571 556.01655
5310.0000 -206.29689 -201.12790 5.16899 2.13950 -201.51794 508.82336
5315.0000 -207.38588 -201.95631 5.42956 2.16208 -201.09171 534.63813
5320.0000 -208.00977 -202.53653 5.47324 2.08916 -202.46813 494.73293
5325.0000 -207.54827 -202.26519 5.28308 2.11763 -201.93076 518.19905
5330.0000 -207.02452 -202.33044 4.69409 2.10356 -202.19636 518.70769
5335.0000 -208.27279 -202.34382 5.92897 2.08676 -202.51340 510.41863
5340.0000 -207.47657 -202.06534 5.41124 2.11542 -201.97249 526.80896
5345.0000 -206.84668 -201.50422 5.34245 2.11898 -201.90525 524.22858
5350.0000 -208.16707 -201.54230 6.62477 2.14906 -201.33751 556.64160
5355.0000 -206.83407 -201.30721 5.52686 2.11908 -201.90331 540.83797
5360.0000 -208.12006 -202.07931 6.04076 2.14068 -201.49575 558.27504
5365.0000 -207.72095 -202.34013 5.38082 2.11563 -201.96856 546.70872
5370.0000 -207.28775 -201.80118 5.48657 2.11648 -201.95254 550.64857
5375.0000 -206.14203 -201.16361 4.97842 2.15759 -201.17654 535.55287
5380.0000 -207.52286 -202.02824 5.49462 2.13624 -201.57943 518.55360
5385.0000 -207.76524 -202.28752 5.47772 2.08694 -202.50998 484.52709
5390.0000 -206.82630 -202.13757 4.68872 2.08586 -202.53034 482.29131
5395.0000 -207.50309 -202.00801 5.49507 2.12285 -201.83227 488.52378
5400.0000 -206.57802 -200.90954 5.66848 2.17617 -200.82582 542.26310
5405.0000 -207.44552 -201.65558 5.78994 2.13187 -201.66198 526.34366
5410.0000 -207.12373 -202.25676 4.86697 2.14174 -201.47577 526.69056
5415.0000 -205.58477 -199.65712 5.92764 2.14647 -201.38641 515.34240
5420.0000 -207.55414 -201.50638 6.04776 2.19910 -200.39307 561.41833
5425.0000 -207.38647 -201.70470 5.68177 2.14625 -201.39048 551.54081
5430.0000 -206.59248 -200.51323 6.07925 2.14605 -201.39425 551.04517
5435.0000 -207.28090 -201.08811 6.19279 2.17506 -200.84670 560.01699
5440.0000 -207.28985 -201.65931 5.63054 2.13888 -201.52973 544.17688
5445.0000 -206.54486 -200.53354 6.01133 2.15705 -201.18679 567.95301
5450.0000 -207.41595 -201.70326 5.71268 2.17224 -200.90004 541.38873
5455.0000 -207.56222 -201.88324 5.67898 2.11517 -201.97721 490.43162
5460.0000 -205.35463 -199.01061 6.34402 2.17473 -200.85297 533.36914
5465.0000 -206.25237 -199.97428 6.27809 2.24862 -199.45830 600.82253
5470.0000 -207.37817 -202.08484 5.29333 2.13510 -201.60103 523.10234
5475.0000 -207.14946 -201.35714 5.79233 2.15114 -201.29829 522.13368
5480.0000 -207.53892 -201.83915 5.69976 2.13536 -201.59604 525.95059
5485.0000 -206.67163 -201.90861 4.76302 2.11192 -202.03852 500.17322
5490.0000 -206.78573 -200.76358 6.02215 2.15628 -201.20121 526.83254
5495.0000 -206.88349 -200.74647 6.13702 2.18738 -200.61422 528.06789
5500.0000 -205.58259 -199.48958 6.09301 2.22190 -199.96271 565.90084
FREEZING PROCESS: loop number 23 T-loop= 510.00000000000000
main_MD> interactions number 23 at Temperature= 510.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33978 -0.12205 0.74887
force_rgl> df(natom) 0.03452 0.52484 -1.34454
5505.0000 -206.19011 -200.08792 6.10219 2.25814 -199.27865 579.51098
5510.0000 -207.22516 -201.08966 6.13550 2.19142 -200.53807 558.53368
5515.0000 -207.02576 -201.93302 5.09274 2.14029 -201.50297 494.36431
5520.0000 -206.85695 -201.76854 5.08841 2.12204 -201.84743 470.84016
5525.0000 -207.12968 -202.24757 4.88210 2.10500 -202.16914 467.38638
5530.0000 -206.93100 -200.76297 6.16804 2.13591 -201.58569 507.23001
5535.0000 -207.38092 -201.28187 6.09905 2.16795 -200.98091 562.43434
5540.0000 -208.07943 -203.27356 4.80587 2.05525 -203.10816 484.81515
5545.0000 -207.95794 -203.04783 4.91010 2.03982 -203.39943 473.73388
5550.0000 -209.13982 -203.33074 5.80908 2.10279 -202.21083 510.62822
5555.0000 -208.65976 -202.54016 6.11960 2.06249 -202.97156 506.38995
5560.0000 -209.69719 -203.90377 5.79341 2.02752 -203.63152 507.58629
5565.0000 -207.91570 -202.88269 5.03302 2.02257 -203.72492 501.48775
5570.0000 -208.91581 -202.82994 6.08587 2.04838 -203.23780 525.69947
5575.0000 -208.42271 -203.33445 5.08825 2.06220 -202.97695 519.00108
5580.0000 -208.80021 -203.60141 5.19880 2.03679 -203.45659 491.48932
5585.0000 -208.28277 -203.13981 5.14296 2.02316 -203.71374 492.36692
5590.0000 -209.21179 -202.99982 6.21197 2.05749 -203.06581 505.93814
5595.0000 -208.01028 -202.27917 5.73111 2.09055 -202.44181 535.59513
5600.0000 -208.16926 -203.01040 5.15886 2.08581 -202.53129 523.55397
5605.0000 -208.57252 -202.15735 6.41517 2.09288 -202.39789 529.60771
5610.0000 -208.37488 -201.86140 6.51348 2.10011 -202.26136 558.56040
5615.0000 -208.69245 -201.62847 7.06398 2.12568 -201.77887 579.09767
5620.0000 -208.71205 -204.01160 4.70045 2.04936 -203.21935 520.00652
5625.0000 -209.54290 -204.33611 5.20679 1.99137 -204.31376 467.09314
5630.0000 -208.56713 -202.31682 6.25031 2.04909 -203.22440 511.63526
5635.0000 -208.87026 -203.64990 5.22036 2.06553 -202.91419 510.81867
5640.0000 -208.47382 -202.37843 6.09539 2.06612 -202.90291 514.70784
5645.0000 -208.71840 -203.01469 5.70370 2.06844 -202.85917 523.55545
5650.0000 -207.25168 -201.90622 5.34547 2.08272 -202.58974 519.46361
5655.0000 -208.56231 -202.85399 5.70832 2.09075 -202.43801 518.39248
5660.0000 -208.33801 -203.25647 5.08153 2.02949 -203.59433 475.55411
5665.0000 -208.32390 -202.91403 5.40988 2.05342 -203.14265 497.37923
5670.0000 -208.94922 -203.11961 5.82961 2.07727 -202.69248 528.98611
5675.0000 -207.47025 -202.14235 5.32790 2.07462 -202.74255 527.85892
5680.0000 -207.51177 -201.04905 6.46272 2.10998 -202.07523 525.18332
5685.0000 -206.89622 -200.70876 6.18746 2.15609 -201.20490 556.16854
5690.0000 -208.79982 -201.83773 6.96209 2.15602 -201.20624 563.91068
5695.0000 -208.19476 -204.00080 4.19396 2.03897 -203.41550 511.62099
5700.0000 -208.82282 -203.52518 5.29764 2.04219 -203.35460 503.32447
5705.0000 -208.52356 -203.29815 5.22541 2.03151 -203.55627 491.65155
5710.0000 -208.05115 -201.78055 6.27060 2.07005 -202.82880 524.86411
5715.0000 -208.09614 -202.32316 5.77298 2.12690 -201.75587 565.03546
5720.0000 -208.59699 -203.03738 5.55961 2.06290 -202.96369 540.13379
5725.0000 -208.72740 -203.68648 5.04092 2.03032 -203.57865 488.15303
5730.0000 -208.19727 -202.48977 5.70749 2.06726 -202.88140 508.08367
5735.0000 -208.10690 -203.47846 4.62843 2.09156 -202.42284 522.02394
5740.0000 -208.12211 -202.71780 5.40431 2.05953 -203.02734 501.14032
5745.0000 -207.71806 -202.29230 5.42576 2.09547 -202.34896 519.55196
5750.0000 -208.42947 -203.31533 5.11414 2.06237 -202.97372 502.86314
FREEZING PROCESS: loop number 24 T-loop= 485.00000000000000
main_MD> interactions number 24 at Temperature= 485.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78272 0.68361 -0.83053
force_rgl> df(natom) 1.15929 -1.95533 -1.15286
5755.0000 -208.07694 -202.48027 5.59667 2.05185 -203.17235 493.94466
5760.0000 -208.54677 -203.00842 5.53836 2.06803 -202.86685 498.60425
5765.0000 -207.70291 -203.06503 4.63788 2.04201 -203.35796 477.12049
5770.0000 -208.42758 -203.23975 5.18782 2.04140 -203.36962 479.37491
5775.0000 -207.63542 -202.65868 4.97675 2.05323 -203.14623 488.84441
5780.0000 -208.25251 -202.31121 5.94130 2.07209 -202.79032 503.26464
5785.0000 -208.26851 -203.47412 4.79440 2.07024 -202.82520 488.42827
5790.0000 -208.22772 -204.05291 4.17481 2.03967 -203.40216 461.70764
5795.0000 -208.46897 -204.03434 4.43463 1.99362 -204.27147 425.33640
5800.0000 -207.82180 -202.98288 4.83892 2.03667 -203.45882 466.73021
5805.0000 -207.48115 -203.18237 4.29877 2.07512 -202.73302 498.19889
5810.0000 -208.55628 -203.57560 4.98068 2.02027 -203.76843 450.86935
5815.0000 -208.41854 -203.35885 5.05969 2.03486 -203.49307 477.41829
5820.0000 -207.96929 -202.65097 5.31832 2.05946 -203.02866 488.44913
5825.0000 -208.21303 -203.19644 5.01660 2.05205 -203.16846 481.27601
5830.0000 -209.18206 -203.11211 6.06995 2.06139 -202.99224 497.04984
5835.0000 -207.80310 -202.45377 5.34933 2.07619 -202.71285 511.93855
5840.0000 -208.41038 -204.35030 4.06008 2.02562 -203.66741 475.96240
5845.0000 -208.65179 -203.81922 4.83257 2.01126 -203.93842 472.02816
5850.0000 -208.82218 -203.32316 5.49901 2.03779 -203.43775 496.39974
5855.0000 -208.28603 -202.97714 5.30889 2.02810 -203.62055 479.27336
5860.0000 -207.38437 -202.54289 4.84149 2.06833 -202.86129 504.42549
5865.0000 -208.17492 -203.59362 4.58130 2.06579 -202.90923 494.58941
5870.0000 -208.17990 -203.78088 4.39901 2.05960 -203.02600 475.12420
5875.0000 -206.79268 -201.37254 5.42014 2.07140 -202.80340 482.71831
5880.0000 -208.04748 -202.97624 5.07124 2.07366 -202.76076 488.01521
5885.0000 -208.03127 -203.21393 4.81733 2.04826 -203.24005 462.26936
5890.0000 -207.34873 -202.94801 4.40071 2.05295 -203.15164 454.88245
5895.0000 -207.97154 -202.53876 5.43278 2.07158 -202.80001 474.43396
5900.0000 -206.99576 -202.57088 4.42488 2.09683 -202.32335 484.56557
5905.0000 -208.49002 -202.86706 5.62296 2.08710 -202.50693 481.52186
5910.0000 -208.01852 -202.62890 5.38962 2.07912 -202.65770 471.02490
5915.0000 -207.57343 -203.23582 4.33761 2.06032 -203.01243 467.97831
5920.0000 -208.63169 -203.74047 4.89121 2.02564 -203.66698 436.47225
5925.0000 -207.64353 -202.13431 5.50922 2.08201 -202.60315 486.27675
5930.0000 -206.85305 -202.01072 4.84233 2.10770 -202.11825 517.33301
5935.0000 -207.06282 -202.15112 4.91170 2.09432 -202.37069 495.36342
5940.0000 -207.86497 -202.57504 5.28993 2.09502 -202.35741 473.99852
5945.0000 -207.24291 -201.89773 5.34518 2.13328 -201.63545 501.81960
5950.0000 -207.67340 -202.07336 5.60004 2.10098 -202.24501 487.95955
5955.0000 -206.39069 -201.30199 5.08870 2.12183 -201.85152 482.43142
5960.0000 -207.79144 -200.85877 6.93267 2.14820 -201.35373 523.19907
5965.0000 -207.72164 -201.87545 5.84619 2.13454 -201.61149 548.70251
5970.0000 -208.78216 -202.81155 5.97060 2.08329 -202.57883 530.66169
5975.0000 -208.84580 -204.20026 4.64554 2.04509 -203.29985 497.18739
5980.0000 -209.32488 -205.34905 3.97583 1.98582 -204.41858 449.04000
5985.0000 -208.62511 -204.88213 3.74298 1.95111 -205.07382 423.47883
5990.0000 -208.82640 -203.84747 4.97893 2.00174 -204.11819 465.15216
5995.0000 -209.08051 -203.75866 5.32185 2.03590 -203.47343 492.07477
6000.0000 -208.86943 -203.67175 5.19768 2.01755 -203.81981 467.77928
FREEZING PROCESS: loop number 25 T-loop= 460.00000000000000
main_MD> interactions number 25 at Temperature= 460.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76015 -0.64842 1.35773
force_rgl> df(natom) -4.02838 -0.72212 -1.50161
6005.0000 -208.33566 -202.72306 5.61261 2.06631 -202.89945 498.25609
6010.0000 -208.46203 -203.69978 4.76225 2.04795 -203.24589 485.98822
6015.0000 -209.41823 -204.80866 4.60957 1.99580 -204.23028 448.55413
6020.0000 -209.52814 -204.79757 4.73057 1.98998 -204.34008 451.13814
6025.0000 -208.84157 -204.10645 4.73512 1.98696 -204.39712 454.57340
6030.0000 -209.54915 -204.81567 4.73348 1.97661 -204.59240 449.18373
6035.0000 -209.35847 -204.08515 5.27333 1.97481 -204.62641 442.88972
6040.0000 -208.94717 -205.09970 3.84748 1.98854 -204.36728 459.31417
6045.0000 -209.65669 -204.62113 5.03555 1.97470 -204.62846 446.87946
6050.0000 -210.10877 -205.12714 4.98163 1.97524 -204.61838 450.46882
6055.0000 -209.24216 -204.72633 4.51583 1.94500 -205.18910 418.87043
6060.0000 -208.20133 -203.37560 4.82573 1.99372 -204.26944 461.00425
6065.0000 -208.43946 -203.52909 4.91037 2.00746 -204.01008 470.10142
6070.0000 -208.96416 -204.49566 4.46850 2.00540 -204.04894 447.67708
6075.0000 -208.76734 -204.15260 4.61475 1.98838 -204.37029 427.69996
6080.0000 -208.94871 -203.88891 5.05980 1.99685 -204.21041 434.55561
6085.0000 -208.89703 -204.03461 4.86242 2.01028 -203.95693 453.94529
6090.0000 -209.31864 -204.62846 4.69018 2.00228 -204.10793 458.66724
6095.0000 -209.36509 -205.27144 4.09365 1.97737 -204.57804 458.72038
6100.0000 -209.06251 -204.98081 4.08170 1.95117 -205.07252 436.38665
6105.0000 -209.00745 -203.63545 5.37199 2.00602 -204.03732 471.98328
6110.0000 -209.52459 -204.15352 5.37107 2.00592 -204.03931 479.89232
6115.0000 -209.55864 -204.78272 4.77592 1.98872 -204.36392 469.32442
6120.0000 -209.18986 -204.26997 4.91989 1.97139 -204.69099 454.23862
6125.0000 -209.04592 -204.28064 4.76528 1.96470 -204.81729 444.83281
6130.0000 -209.30055 -204.27569 5.02486 2.01783 -203.81443 489.36598
6135.0000 -208.84443 -204.09745 4.74698 2.01836 -203.80446 490.94333
6140.0000 -209.47425 -203.84425 5.63000 2.00940 -203.97353 481.86291
6145.0000 -209.19563 -204.06493 5.13070 2.00332 -204.08823 477.12968
6150.0000 -207.68947 -202.82675 4.86272 2.02020 -203.76965 484.44647
6155.0000 -208.71646 -203.95303 4.76344 2.03604 -203.47069 495.24290
6160.0000 -209.56812 -204.66165 4.90647 2.01257 -203.91367 474.60679
6165.0000 -209.82800 -205.34883 4.47917 1.97199 -204.67968 445.49145
6170.0000 -209.37059 -205.34158 4.02901 1.94505 -205.18814 430.07240
6175.0000 -209.20253 -204.93655 4.26598 1.94587 -205.17265 436.13841
6180.0000 -210.01410 -205.45225 4.56185 1.95142 -205.06780 434.94167
6185.0000 -209.83422 -204.71582 5.11840 1.94786 -205.13512 432.98874
6190.0000 -209.90119 -204.95165 4.94954 1.96148 -204.87796 447.31788
6195.0000 -209.70387 -204.81954 4.88433 1.96547 -204.80267 450.52683
6200.0000 -209.82987 -204.97258 4.85728 1.96242 -204.86028 450.84625
6205.0000 -209.26684 -204.29256 4.97428 1.96508 -204.81000 452.84897
6210.0000 -208.45593 -204.44866 4.00727 1.97452 -204.63185 456.10786
6215.0000 -209.94650 -205.20860 4.73789 1.95158 -205.06494 441.03841
6220.0000 -209.52445 -204.61036 4.91410 1.96380 -204.83431 441.28604
6225.0000 -209.78439 -204.48208 5.30231 1.97367 -204.64793 440.74008
6230.0000 -209.01359 -203.18873 5.82486 2.02038 -203.76638 481.01011
6235.0000 -208.54820 -203.36888 5.17932 2.03728 -203.44730 498.37620
6240.0000 -208.76442 -204.34805 4.41638 2.00781 -204.00354 479.03784
6245.0000 -209.10017 -204.84426 4.25591 1.96812 -204.75261 443.25718
6250.0000 -209.81754 -204.83779 4.97975 1.97162 -204.68670 449.55445
FREEZING PROCESS: loop number 26 T-loop= 435.00000000000000
main_MD> interactions number 26 at Temperature= 435.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23447 -2.34718 -0.11322
force_rgl> df(natom) 0.17982 -0.49768 -0.31964
6255.0000 -209.39634 -204.20130 5.19503 2.00651 -204.02818 475.49317
6260.0000 -210.07273 -204.37222 5.70051 1.99205 -204.30105 452.08553
6265.0000 -209.46897 -204.78183 4.68714 1.98507 -204.43267 456.26767
6270.0000 -208.60905 -203.43675 5.17231 1.99765 -204.19524 470.98223
6275.0000 -207.42290 -202.45528 4.96761 2.04637 -203.27582 467.52755
6280.0000 -209.53290 -204.54449 4.98841 2.03628 -203.46615 498.48916
6285.0000 -209.39345 -204.23015 5.16330 1.99414 -204.26156 464.19347
6290.0000 -209.28870 -205.06510 4.22360 1.97054 -204.70699 442.66884
6295.0000 -209.67947 -204.77644 4.90304 1.96352 -204.83955 440.73725
6300.0000 -209.40391 -204.43256 4.97135 1.96530 -204.80594 441.28594
6305.0000 -210.27095 -206.23255 4.03839 1.92282 -205.60767 405.12618
6310.0000 -209.39616 -205.25475 4.14140 1.90922 -205.86437 399.44746
6315.0000 -209.34999 -204.43298 4.91701 1.95187 -205.05941 424.56892
6320.0000 -209.48966 -205.60528 3.88438 1.92769 -205.51585 409.88431
6325.0000 -210.27604 -206.06095 4.21510 1.90499 -205.94420 387.40078
6330.0000 -210.00258 -206.09027 3.91231 1.92401 -205.58520 396.68408
6335.0000 -209.73091 -204.98772 4.74319 1.90728 -205.90094 391.31854
6340.0000 -209.39263 -205.14701 4.24562 1.92508 -205.56501 409.92545
6345.0000 -209.85055 -205.64572 4.20483 1.94032 -205.27745 413.02115
6350.0000 -209.73489 -205.82366 3.91123 1.93405 -205.39569 412.01213
6355.0000 -209.29187 -204.83113 4.46074 1.96386 -204.83311 428.21126
6360.0000 -208.96576 -204.55857 4.40720 1.95352 -205.02823 412.03003
6365.0000 -209.69355 -205.32128 4.37227 1.95049 -205.08544 412.28373
6370.0000 -209.74768 -204.99428 4.75340 1.94962 -205.10185 421.62483
6375.0000 -208.98499 -204.67615 4.30885 1.98161 -204.49808 435.74062
6380.0000 -209.86845 -204.90846 4.96000 1.97173 -204.68451 429.80564
6385.0000 -209.13046 -204.57006 4.56040 1.97126 -204.69342 427.85654
6390.0000 -208.94519 -204.52538 4.41981 1.98447 -204.44407 438.90285
6395.0000 -208.96605 -204.29293 4.67312 1.98542 -204.42622 440.64982
6400.0000 -209.05063 -204.45512 4.59550 1.98099 -204.50970 436.77382
6405.0000 -209.20240 -205.08068 4.12173 1.98611 -204.41309 436.92219
6410.0000 -209.62004 -205.08237 4.53766 1.93975 -205.28823 405.30637
6415.0000 -208.87645 -204.33635 4.54010 1.97996 -204.52928 442.90011
6420.0000 -209.04896 -204.66791 4.38105 1.97762 -204.57329 431.56711
6425.0000 -208.84714 -203.42028 5.42686 2.02407 -203.69664 468.67485
6430.0000 -208.96765 -203.72688 5.24077 2.01682 -203.83352 475.57679
6435.0000 -208.90367 -203.73618 5.16749 2.00674 -204.02370 463.14254
6440.0000 -209.28654 -204.15707 5.12947 2.00970 -203.96781 456.93093
6445.0000 -208.65241 -204.12076 4.53166 2.00330 -204.08864 461.02451
6450.0000 -209.41593 -205.45761 3.95832 1.95145 -205.06727 421.51819
6455.0000 -210.72600 -206.59117 4.13482 1.92050 -205.65155 398.33494
6460.0000 -209.49432 -204.86157 4.63275 1.91114 -205.82808 400.92822
6465.0000 -210.27196 -204.84114 5.43082 1.97090 -204.70014 450.63193
6470.0000 -210.00202 -205.35441 4.64762 1.94722 -205.14707 436.80465
6475.0000 -209.57944 -205.27527 4.30417 1.92962 -205.47942 420.83427
6480.0000 -209.75905 -205.08733 4.67172 1.95824 -204.93913 443.48075
6485.0000 -210.06459 -205.62723 4.43736 1.95743 -204.95449 444.58817
6490.0000 -209.85916 -204.76839 5.09077 1.94984 -205.09771 428.00340
6495.0000 -209.76845 -205.08533 4.68312 1.94610 -205.16827 422.25506
6500.0000 -209.92972 -205.21565 4.71407 1.96302 -204.84894 440.36905
FREEZING PROCESS: loop number 27 T-loop= 410.00000000000000
main_MD> interactions number 27 at Temperature= 410.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.73050 -0.44217 1.59230
force_rgl> df(natom) -3.39268 0.66415 -4.77952
6505.0000 -209.10801 -205.02591 4.08210 1.92230 -205.61744 409.18658
6510.0000 -209.74125 -205.19327 4.54798 1.94647 -205.16138 426.79821
6515.0000 -209.75367 -204.99690 4.75677 1.96653 -204.78278 441.51549
6520.0000 -209.78214 -204.69041 5.09173 1.96231 -204.86237 443.37622
6525.0000 -210.20909 -205.81775 4.39134 1.93683 -205.34333 424.61670
6530.0000 -209.90092 -205.31412 4.58680 1.93594 -205.35998 429.70605
6535.0000 -210.27244 -205.88184 4.39060 1.91919 -205.67625 411.47479
6540.0000 -210.28638 -205.69340 4.59297 1.91718 -205.71423 408.47597
6545.0000 -209.15665 -204.57432 4.58232 1.93529 -205.37241 426.03209
6550.0000 -211.01796 -207.24638 3.77158 1.92005 -205.65995 415.74692
6555.0000 -211.14075 -206.90521 4.23554 1.83553 -207.25530 347.86764
6560.0000 -210.79111 -206.37855 4.41257 1.87674 -206.47735 378.01897
6565.0000 -210.56113 -206.00504 4.55610 1.89641 -206.10627 394.42663
6570.0000 -210.77305 -207.23445 3.53861 1.88465 -206.32808 387.48845
6575.0000 -210.33779 -206.23844 4.09934 1.87361 -206.53642 375.04308
6580.0000 -209.95872 -205.32911 4.62961 1.92571 -205.55322 414.97034
6585.0000 -209.88998 -205.25417 4.63581 1.95919 -204.92120 441.15504
6590.0000 -209.54577 -205.45827 4.08749 1.92723 -205.52453 413.28780
6595.0000 -209.68427 -205.70767 3.97660 1.91057 -205.83898 402.14049
6600.0000 -209.92974 -205.16207 4.76766 1.92662 -205.53603 413.35943
6605.0000 -209.99364 -205.08151 4.91212 1.94783 -205.13570 425.99852
6610.0000 -209.69426 -205.34702 4.34724 1.93419 -205.39315 425.53857
6615.0000 -210.31753 -205.71324 4.60429 1.92575 -205.55236 419.75044
6620.0000 -210.01893 -205.04253 4.97641 1.92796 -205.51074 421.75846
6625.0000 -210.42390 -205.68747 4.73642 1.93010 -205.47030 423.76474
6630.0000 -209.77008 -205.28872 4.48136 1.93452 -205.38694 417.65570
6635.0000 -210.55097 -206.12106 4.42991 1.92793 -205.51130 418.05256
6640.0000 -210.49324 -206.86027 3.63296 1.89563 -206.12083 393.28528
6645.0000 -210.59374 -206.52662 4.06712 1.86104 -206.77383 366.58583
6650.0000 -210.47215 -205.67774 4.79442 1.88155 -206.38668 386.95081
6655.0000 -210.54884 -206.13823 4.41061 1.91863 -205.68670 413.72294
6660.0000 -210.74253 -207.00043 3.74210 1.91100 -205.83077 412.92284
6665.0000 -209.45248 -205.49882 3.95366 1.87333 -206.54172 377.93134
6670.0000 -209.57995 -205.64098 3.93897 1.93566 -205.36537 424.34013
6675.0000 -209.61028 -205.49451 4.11577 1.93583 -205.36205 429.95883
6680.0000 -210.55643 -205.42792 5.12851 1.91398 -205.77453 408.72456
6685.0000 -210.51313 -205.88911 4.62402 1.92044 -205.65260 416.75338
6690.0000 -210.89205 -206.92382 3.96823 1.89021 -206.22325 391.84735
6695.0000 -211.26188 -206.80212 4.45976 1.83895 -207.19071 348.53134
6700.0000 -209.42513 -205.17006 4.25507 1.92991 -205.47389 411.20093
6705.0000 -210.06015 -205.28623 4.77392 1.94437 -205.20097 413.17285
6710.0000 -208.71508 -204.88462 3.83045 1.95351 -205.02845 422.41048
6715.0000 -209.83635 -205.20580 4.63055 1.96496 -204.81228 447.38383
6720.0000 -209.79710 -205.04467 4.75243 1.95629 -204.97591 439.72343
6725.0000 -210.24191 -206.41422 3.82768 1.89737 -206.08802 395.65239
6730.0000 -211.43334 -207.32734 4.10600 1.86837 -206.63542 374.06286
6735.0000 -210.46795 -206.11980 4.34815 1.88081 -206.40062 385.79197
6740.0000 -210.67460 -206.24442 4.43018 1.90233 -205.99444 397.30982
6745.0000 -210.12456 -205.49308 4.63149 1.90308 -205.98029 406.24154
6750.0000 -210.49116 -206.09595 4.39522 1.90917 -205.86531 409.74947
FREEZING PROCESS: loop number 28 T-loop= 385.00000000000000
main_MD> interactions number 28 at Temperature= 385.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90551 -1.57225 0.04706
force_rgl> df(natom) -0.86198 -0.33039 -1.43640
6755.0000 -210.19903 -206.98870 3.21033 1.86135 -206.76793 370.46047
6760.0000 -210.90444 -206.70912 4.19532 1.86427 -206.71277 370.59977
6765.0000 -210.10852 -205.77592 4.33261 1.86705 -206.66040 372.00527
6770.0000 -209.77847 -205.26260 4.51587 1.92299 -205.60448 416.87925
6775.0000 -210.15902 -205.23725 4.92177 1.93038 -205.46497 420.06890
6780.0000 -210.53696 -205.84227 4.69469 1.93101 -205.45311 426.50229
6785.0000 -209.74557 -204.87662 4.86896 1.93781 -205.32472 429.41598
6790.0000 -209.90797 -206.11711 3.79086 1.92627 -205.54263 420.02733
6795.0000 -210.44797 -206.22322 4.22475 1.89250 -206.17988 391.97693
6800.0000 -210.20328 -205.81322 4.39006 1.92821 -205.50603 424.25005
6805.0000 -210.53269 -206.36825 4.16444 1.86962 -206.61177 373.07671
6810.0000 -210.78647 -206.74007 4.04640 1.87736 -206.46579 375.65764
6815.0000 -210.63605 -207.22891 3.40714 1.85425 -206.90201 362.06083
6820.0000 -210.45821 -206.44243 4.01578 1.86669 -206.66707 372.15408
6825.0000 -210.06680 -205.96834 4.09846 1.88228 -206.37288 383.79160
6830.0000 -210.45874 -206.34334 4.11539 1.90768 -205.89340 408.26396
6835.0000 -210.57083 -206.59013 3.98070 1.88032 -206.40995 383.45151
6840.0000 -210.37670 -205.94868 4.42801 1.86891 -206.62514 374.46331
6845.0000 -210.18977 -205.63324 4.55652 1.89600 -206.11398 391.66795
6850.0000 -210.00569 -205.70716 4.29853 1.91028 -205.84447 404.37346
6855.0000 -210.67843 -205.65475 5.02368 1.95156 -205.06529 423.34871
6860.0000 -210.61719 -207.25616 3.36103 1.87883 -206.43801 372.48357
6865.0000 -210.02109 -206.21693 3.80416 1.86429 -206.71248 362.98027
6870.0000 -209.90912 -205.18259 4.72653 1.93345 -205.40697 420.70780
6875.0000 -210.25696 -205.90083 4.35613 1.92862 -205.49826 416.36634
6880.0000 -210.62641 -206.81497 3.81144 1.88067 -206.40318 385.08195
6885.0000 -210.72335 -206.83223 3.89112 1.85609 -206.86716 364.00221
6890.0000 -210.79172 -206.36821 4.42351 1.87984 -206.41901 384.33684
6895.0000 -210.39660 -206.16729 4.22930 1.85626 -206.86402 363.90950
6900.0000 -210.42534 -206.68485 3.74049 1.87861 -206.44214 377.48943
6905.0000 -209.86199 -206.22057 3.64143 1.87217 -206.56361 368.00533
6910.0000 -210.61949 -206.40011 4.21938 1.88526 -206.31662 384.51130
6915.0000 -210.41630 -207.06230 3.35400 1.86359 -206.72565 373.07721
6920.0000 -210.41736 -206.62154 3.79582 1.86112 -206.77229 365.27502
6925.0000 -210.00803 -205.64543 4.36259 1.90529 -205.93859 408.17715
6930.0000 -210.03910 -205.66593 4.37318 1.91722 -205.71331 414.06270
6935.0000 -210.54808 -206.21450 4.33358 1.89156 -206.19772 398.03857
6940.0000 -210.44515 -206.63703 3.80812 1.86947 -206.61471 376.57779
6945.0000 -211.13349 -206.67895 4.45454 1.87681 -206.47617 383.11797
6950.0000 -210.88870 -206.62712 4.26158 1.87265 -206.55471 381.00813
6955.0000 -210.93378 -207.23952 3.69426 1.84842 -207.01205 356.97746
6960.0000 -211.21416 -207.71894 3.49522 1.81850 -207.57665 334.49659
6965.0000 -211.02478 -207.27263 3.75215 1.84034 -207.16442 351.80848
6970.0000 -210.43349 -206.31747 4.11601 1.86114 -206.77191 372.38232
6975.0000 -210.86696 -207.27276 3.59419 1.85293 -206.92692 361.71379
6980.0000 -210.79853 -207.00108 3.79745 1.84325 -207.10963 351.97753
6985.0000 -210.80440 -206.78985 4.01455 1.83394 -207.28535 346.55787
6990.0000 -211.51490 -206.98271 4.53220 1.86458 -206.70691 369.92764
6995.0000 -210.77227 -206.92767 3.84460 1.82756 -207.40565 338.08467
7000.0000 -210.06903 -206.37649 3.69254 1.87270 -206.55373 378.00519
FREEZING PROCESS: loop number 29 T-loop= 360.00000000000000
main_MD> interactions number 29 at Temperature= 360.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.58919 0.18391 0.09859
force_rgl> df(natom) -1.23037 -1.11122 0.44990
7005.0000 -210.76675 -206.83445 3.93230 1.86179 -206.75959 373.57348
7010.0000 -210.80783 -206.85538 3.95245 1.85681 -206.85366 363.01120
7015.0000 -211.26165 -207.92491 3.33674 1.84166 -207.13960 354.59133
7020.0000 -210.65563 -207.12799 3.52763 1.80196 -207.88880 322.39692
7025.0000 -210.47173 -206.85122 3.62051 1.84002 -207.17058 350.19234
7030.0000 -210.84075 -207.05792 3.78282 1.85632 -206.86290 357.08517
7035.0000 -211.02116 -207.05114 3.97002 1.84440 -207.08778 350.63489
7040.0000 -210.48530 -206.49928 3.98602 1.86783 -206.64563 364.02669
7045.0000 -210.07640 -206.41366 3.66274 1.87181 -206.57045 371.47408
7050.0000 -210.73047 -206.61288 4.11759 1.88715 -206.28090 384.68612
7055.0000 -210.55873 -206.64015 3.91858 1.86825 -206.63770 377.23893
7060.0000 -210.98496 -206.82304 4.16192 1.84213 -207.13066 356.12663
7065.0000 -210.78785 -207.58089 3.20696 1.84719 -207.03525 358.27835
7070.0000 -210.92601 -207.23115 3.69486 1.83468 -207.27135 344.10146
7075.0000 -210.37054 -207.05285 3.31769 1.85098 -206.96368 358.45180
7080.0000 -210.74303 -207.12148 3.62155 1.85062 -206.97036 363.56216
7085.0000 -211.37848 -207.07577 4.30271 1.85443 -206.89847 364.57294
7090.0000 -210.77180 -206.79034 3.98146 1.85865 -206.81879 367.58163
7095.0000 -210.37126 -206.74411 3.62714 1.86633 -206.67398 375.24906
7100.0000 -211.16293 -207.00108 4.16185 1.86075 -206.77919 369.60622
7105.0000 -210.21206 -206.62043 3.59163 1.87388 -206.53134 374.46962
7110.0000 -211.02050 -207.22004 3.80046 1.83981 -207.17453 350.76630
7115.0000 -211.18141 -207.48866 3.69275 1.84881 -207.00462 359.02121
7120.0000 -210.74227 -207.61196 3.13031 1.81954 -207.55703 339.56350
7125.0000 -210.85573 -207.93954 2.91619 1.80323 -207.86486 323.84942
7130.0000 -211.30223 -207.45963 3.84261 1.82636 -207.42842 341.80688
7135.0000 -211.08473 -207.77982 3.30491 1.82902 -207.37808 346.10816
7140.0000 -210.70822 -207.36715 3.34107 1.83086 -207.34335 345.06895
7145.0000 -211.01232 -207.45189 3.56044 1.83729 -207.22204 347.32544
7150.0000 -211.00042 -207.27775 3.72267 1.81685 -207.60778 333.58400
7155.0000 -211.25248 -207.33656 3.91592 1.83100 -207.34085 346.43012
7160.0000 -211.55236 -208.01998 3.53237 1.81282 -207.68394 330.31318
7165.0000 -210.43651 -206.94961 3.48690 1.82532 -207.44799 339.89821
7170.0000 -210.73588 -206.75103 3.98485 1.87570 -206.49708 381.34227
7175.0000 -211.71813 -207.56918 4.14895 1.83615 -207.24358 354.35086
7180.0000 -209.82253 -205.68180 4.14074 1.86269 -206.74257 370.23769
7185.0000 -211.08267 -206.86382 4.21885 1.88187 -206.38059 388.98490
7190.0000 -210.60316 -207.03780 3.56536 1.86972 -206.60987 376.90889
7195.0000 -210.71958 -206.48921 4.23038 1.84844 -207.01161 361.24085
7200.0000 -210.62040 -206.35684 4.26356 1.86067 -206.78074 368.00355
7205.0000 -210.41507 -206.25784 4.15723 1.91000 -205.84959 405.68619
7210.0000 -210.49553 -205.89355 4.60198 1.90978 -205.85373 404.62650
7215.0000 -210.92687 -207.13298 3.79389 1.87428 -206.52385 374.56289
7220.0000 -210.90445 -207.05953 3.84492 1.83253 -207.31193 344.05535
7225.0000 -210.99251 -206.26045 4.73205 1.86075 -206.77919 368.37892
7230.0000 -210.54964 -206.60529 3.94435 1.89185 -206.19233 396.66064
7235.0000 -210.28797 -206.90750 3.38047 1.86506 -206.69782 370.38907
7240.0000 -210.72542 -206.77283 3.95259 1.85504 -206.88709 361.58700
7245.0000 -209.80670 -205.96899 3.83771 1.87622 -206.48722 371.36627
7250.0000 -210.11552 -206.18452 3.93100 1.90517 -205.94092 391.46853
FREEZING PROCESS: loop number 30 T-loop= 335.00000000000000
main_MD> interactions number 30 at Temperature= 335.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07231 -2.79893 -0.03049
force_rgl> df(natom) -0.19619 -0.15870 1.80879
7255.0000 -210.66685 -207.41647 3.25037 1.85292 -206.92704 353.33391
7260.0000 -211.39304 -207.83452 3.55852 1.81757 -207.59416 330.14949
7265.0000 -210.36954 -206.52972 3.83982 1.85741 -206.84232 366.95025
7270.0000 -211.23119 -207.04920 4.18199 1.85853 -206.82123 366.30214
7275.0000 -210.84588 -207.48622 3.35966 1.84066 -207.15848 347.50582
7280.0000 -211.72260 -207.84532 3.87728 1.80944 -207.74773 325.31087
7285.0000 -210.96423 -207.70179 3.26243 1.82150 -207.51998 336.10587
7290.0000 -210.69730 -207.52481 3.17249 1.81260 -207.68810 325.64075
7295.0000 -211.05992 -207.11987 3.94005 1.81657 -207.61305 333.66398
7300.0000 -210.95032 -207.09037 3.85995 1.85058 -206.97115 358.70402
7305.0000 -211.44327 -207.62229 3.82098 1.82916 -207.37553 343.71097
7310.0000 -210.73599 -207.15583 3.58017 1.81643 -207.61581 333.31697
7315.0000 -211.46338 -207.31792 4.14546 1.82519 -207.45048 339.62931
7320.0000 -211.70687 -207.54217 4.16470 1.82824 -207.39289 341.06893
7325.0000 -211.38551 -207.90031 3.48520 1.82501 -207.45385 337.81790
7330.0000 -210.59331 -206.77501 3.81830 1.84481 -207.08007 352.74603
7335.0000 -210.97214 -207.21983 3.75231 1.83991 -207.17254 349.73022
7340.0000 -211.58690 -208.05251 3.53439 1.79442 -208.03123 313.30173
7345.0000 -211.36067 -207.96838 3.39230 1.79655 -207.99091 312.30608
7350.0000 -211.21079 -207.62740 3.58339 1.82365 -207.47958 334.53115
7355.0000 -211.06744 -207.70377 3.36367 1.79605 -208.00039 317.53542
7360.0000 -210.21494 -206.93721 3.27774 1.82261 -207.49907 339.37489
7365.0000 -211.04844 -207.76235 3.28609 1.82784 -207.40032 344.60611
7370.0000 -211.35905 -208.32016 3.03889 1.78514 -208.20638 310.79521
7375.0000 -211.33181 -207.70550 3.62631 1.79656 -207.99073 314.30370
7380.0000 -211.32184 -208.07690 3.24495 1.80347 -207.86034 323.38160
7385.0000 -210.92113 -207.69209 3.22903 1.78597 -208.19067 310.68247
7390.0000 -211.01107 -207.43067 3.58040 1.81940 -207.55963 339.28033
7395.0000 -211.24677 -207.65631 3.59046 1.81713 -207.60251 333.50566
7400.0000 -210.90483 -207.14238 3.76245 1.81481 -207.64630 334.41907
7405.0000 -211.37618 -207.79566 3.58052 1.82478 -207.45812 339.91945
7410.0000 -211.14605 -207.56430 3.58175 1.82663 -207.42324 341.75832
7415.0000 -211.64059 -208.03946 3.60113 1.81215 -207.69660 331.48504
7420.0000 -211.62301 -208.31504 3.30797 1.78008 -208.30181 305.52794
7425.0000 -211.11512 -207.75934 3.35577 1.80089 -207.90909 320.89033
7430.0000 -211.71917 -208.63112 3.08805 1.79335 -208.05139 313.55139
7435.0000 -211.45062 -208.17814 3.27248 1.77240 -208.44680 298.71216
7440.0000 -210.92016 -206.99624 3.92392 1.81169 -207.70516 330.28002
7445.0000 -211.34201 -207.60860 3.73341 1.82702 -207.41580 342.43838
7450.0000 -211.43634 -208.28277 3.15357 1.80168 -207.89411 322.58608
7455.0000 -211.00695 -207.86001 3.14694 1.79966 -207.93227 318.97303
7460.0000 -210.32081 -207.05072 3.27009 1.81205 -207.69843 330.06575
7465.0000 -211.12159 -207.89482 3.22677 1.83089 -207.34289 343.51289
7470.0000 -211.21342 -208.07371 3.13971 1.80599 -207.81275 322.45773
7475.0000 -211.23348 -207.54408 3.68939 1.79973 -207.93094 319.52738
7480.0000 -210.32313 -206.62794 3.69519 1.83486 -207.26796 352.13875
7485.0000 -211.37241 -207.83410 3.53831 1.85084 -206.96630 363.52574
7490.0000 -211.11528 -207.74149 3.37379 1.80222 -207.88400 321.38416
7495.0000 -211.17883 -208.43350 2.74533 1.78927 -208.12847 312.90909
7500.0000 -211.78300 -208.28266 3.50034 1.77595 -208.37984 303.97222
FREEZING PROCESS: loop number 31 T-loop= 310.00000000000000
main_MD> interactions number 31 at Temperature= 310.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34698 0.67857 -0.87952
force_rgl> df(natom) 0.98992 -0.84985 -1.05278
7505.0000 -211.26430 -208.43156 2.83274 1.77210 -208.45254 295.17955
7510.0000 -211.02889 -207.35615 3.67275 1.79742 -207.97451 316.19394
7515.0000 -211.01665 -207.88022 3.13643 1.79358 -208.04706 310.32993
7520.0000 -211.75738 -208.18527 3.57211 1.80282 -207.87257 319.59954
7525.0000 -211.13056 -207.79806 3.33250 1.80592 -207.81416 321.86614
7530.0000 -211.14750 -207.47497 3.67253 1.82824 -207.39292 340.49951
7535.0000 -211.23935 -207.49393 3.74542 1.81865 -207.57378 336.59749
7540.0000 -210.66916 -207.86118 2.80798 1.81554 -207.63253 332.95498
7545.0000 -211.74389 -208.12848 3.61541 1.80424 -207.84575 325.24750
7550.0000 -211.82083 -208.53332 3.28751 1.77490 -208.39966 300.72868
7555.0000 -212.01369 -208.53237 3.48131 1.75532 -208.76922 284.31686
7560.0000 -211.44898 -208.01063 3.43835 1.78792 -208.15383 309.79166
7565.0000 -211.53631 -208.29725 3.23906 1.78401 -208.22763 305.18292
7570.0000 -211.13086 -208.00095 3.12990 1.78093 -208.28588 303.75431
7575.0000 -211.76204 -207.93906 3.82298 1.80824 -207.77039 327.77738
7580.0000 -211.85806 -209.00813 2.84993 1.76810 -208.52797 295.30027
7585.0000 -211.62189 -209.02832 2.59357 1.75054 -208.85938 279.53049
7590.0000 -211.50942 -208.46008 3.04934 1.77140 -208.46564 296.53011
7595.0000 -211.54909 -208.62948 2.91961 1.76827 -208.52481 292.83388
7600.0000 -211.47365 -208.64924 2.82440 1.76130 -208.65631 290.45434
7605.0000 -211.22884 -207.89416 3.33468 1.77542 -208.38982 300.98267
7610.0000 -211.28179 -207.71859 3.56320 1.78749 -208.16189 311.70496
7615.0000 -211.55326 -208.01071 3.54255 1.78662 -208.17841 305.75389
7620.0000 -211.34740 -208.28452 3.06287 1.78056 -208.29287 301.97740
7625.0000 -211.22654 -207.18476 4.04178 1.79998 -207.92617 318.62339
7630.0000 -211.29690 -207.84059 3.45631 1.81635 -207.61732 336.01039
7635.0000 -211.31845 -207.91894 3.39951 1.79476 -208.02468 312.01878
7640.0000 -211.62152 -208.07071 3.55081 1.78185 -208.26851 303.35738
7645.0000 -211.17334 -208.16368 3.00966 1.78740 -208.16370 306.66712
7650.0000 -211.03095 -207.73921 3.29174 1.80463 -207.83847 323.06915
7655.0000 -211.32223 -207.94961 3.37262 1.80852 -207.76498 323.50289
7660.0000 -211.36154 -208.24269 3.11886 1.80851 -207.76517 323.82517
7665.0000 -211.51258 -208.48896 3.02362 1.77785 -208.34393 298.50433
7670.0000 -212.16907 -208.98129 3.18778 1.77024 -208.48758 295.94846
7675.0000 -211.96594 -208.49253 3.47342 1.76990 -208.49395 294.71211
7680.0000 -211.45464 -208.59225 2.86238 1.75633 -208.75021 282.60261
7685.0000 -211.23122 -208.32574 2.90547 1.76513 -208.58402 291.43201
7690.0000 -211.30484 -208.31323 2.99161 1.77631 -208.37293 300.17721
7695.0000 -211.79222 -208.27102 3.52120 1.78287 -208.24923 305.67171
7700.0000 -211.46990 -208.22605 3.24384 1.81193 -207.70070 332.53985
7705.0000 -211.63790 -208.04638 3.59152 1.79038 -208.10744 311.64868
7710.0000 -211.53442 -208.42919 3.10524 1.78748 -208.16218 311.26397
7715.0000 -211.53580 -208.89661 2.63919 1.75159 -208.83957 281.77760
7720.0000 -211.49514 -208.36235 3.13279 1.77717 -208.35681 299.86696
7725.0000 -211.43874 -208.16709 3.27165 1.78581 -208.19373 312.50843
7730.0000 -211.12180 -208.10415 3.01765 1.79193 -208.07825 316.57487
7735.0000 -210.95938 -208.06181 2.89757 1.79424 -208.03457 319.11407
7740.0000 -211.18878 -207.77987 3.40891 1.80660 -207.80126 327.83072
7745.0000 -211.96749 -208.26027 3.70722 1.80669 -207.79964 325.36368
7750.0000 -211.27946 -207.98260 3.29686 1.78620 -208.18640 308.90312
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 51.1438486 [s].
main_MD> Deallocating global variables
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