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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_75/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_75.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 = 75 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 75 7500
main_MD> Size of nv and nvoiz: 75 7500
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 = 75
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> 7.5649541595495015E-002 -4.7989009296155606E-002 -0.14155965106509322 initial drift of cluster / NP1 for coalescence
init> 0.34896552084582816 0.36081360321978317 0.30974230478930065 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.7974430381734576E-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) 2.90123 -0.65882 1.13537
force_rgl> df(natom) -0.92552 1.32866 1.08055
preparo> THERMALIZATION PROCESS AT 1253.5445580176172
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -155.90948200393791 16.997978421317544 -172.90746042525546 7.7633262673092109E-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 38
FREEZING PROCESS: loop number 1 T-loop= 1226.0000000000000
main_MD> interactions number 1 at Temperature= 1226.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47275 -3.21555 2.61171
force_rgl> df(natom) -1.30061 -5.45547 -7.85833
5.0000 -171.41988 -159.46433 11.95555 3.46318 -159.65913 1380.92964
10.0000 -176.70969 -164.07808 12.63161 3.34005 -161.84904 1311.03565
15.0000 -179.49282 -167.41017 12.08265 3.14790 -165.26636 1221.56544
20.0000 -178.00293 -168.87252 9.13041 2.96911 -168.44594 1082.29431
25.0000 -176.21074 -164.64607 11.56467 3.04114 -167.16500 1152.12562
30.0000 -177.59584 -166.86713 10.72870 3.05073 -166.99442 1137.90749
35.0000 -175.74393 -163.67379 12.07013 3.18811 -164.55119 1222.63819
40.0000 -177.85331 -164.87177 12.98154 3.15574 -165.12678 1238.91351
45.0000 -175.91219 -163.58312 12.32907 3.19729 -164.38788 1233.37450
50.0000 -176.24096 -163.18845 13.05251 3.34948 -161.68120 1344.95261
55.0000 -176.23325 -164.34361 11.88964 3.24176 -163.59694 1224.39072
60.0000 -174.52645 -162.83102 11.69543 3.18160 -164.66699 1202.46778
65.0000 -172.33425 -161.49973 10.83452 3.37024 -161.31210 1339.89505
70.0000 -174.12782 -162.55333 11.57449 3.31509 -162.29289 1310.66944
75.0000 -173.57499 -162.86550 10.70949 3.33103 -162.00945 1310.69518
80.0000 -174.93667 -165.27821 9.65845 3.26246 -163.22896 1257.65855
85.0000 -176.42255 -162.57272 13.84983 3.21818 -164.01646 1210.45704
90.0000 -174.74981 -163.92768 10.82213 3.23181 -163.77406 1227.65583
95.0000 -177.18641 -164.92030 12.26611 3.18358 -164.63168 1219.05514
100.0000 -175.90698 -162.95077 12.95621 3.28239 -162.87450 1298.32172
105.0000 -176.08352 -163.05584 13.02768 3.24594 -163.52268 1244.60733
110.0000 -174.44308 -162.08876 12.35432 3.26354 -163.20974 1249.92922
115.0000 -176.39059 -164.52085 11.86973 3.27032 -163.08907 1272.22203
120.0000 -174.62440 -161.48939 13.13501 3.26248 -163.22848 1256.62716
125.0000 -175.43941 -163.02524 12.41418 3.29827 -162.59207 1296.97211
130.0000 -175.18942 -163.80894 11.38048 3.20513 -164.24852 1257.07770
135.0000 -175.65549 -164.35321 11.30229 3.21181 -164.12963 1205.57005
140.0000 -175.23767 -161.73321 13.50445 3.19929 -164.35240 1231.30342
145.0000 -174.66824 -162.38123 12.28701 3.36018 -161.49106 1328.07495
150.0000 -174.69278 -163.30443 11.38836 3.29496 -162.65086 1272.75343
155.0000 -175.33375 -163.74703 11.58672 3.27705 -162.96942 1254.72988
160.0000 -173.34941 -161.18142 12.16798 3.29329 -162.68056 1281.97739
165.0000 -175.18824 -164.44856 10.73967 3.25531 -163.35611 1256.64552
170.0000 -174.17529 -163.41396 10.76133 3.36520 -161.40177 1291.95447
175.0000 -175.91417 -164.15289 11.76128 3.27208 -163.05786 1257.28602
180.0000 -176.90791 -164.07617 12.83174 3.16972 -164.87822 1183.37284
185.0000 -175.81671 -163.26260 12.55411 3.32040 -162.19846 1320.91009
190.0000 -176.94119 -164.41595 12.52524 3.24450 -163.54829 1261.88820
195.0000 -177.43079 -166.63192 10.79888 3.13258 -165.53867 1219.94516
200.0000 -177.64226 -166.14192 11.50034 3.07490 -166.56454 1148.26145
205.0000 -175.10551 -163.29058 11.81493 3.22050 -163.97518 1260.38954
210.0000 -173.52941 -161.45939 12.07002 3.19782 -164.37850 1208.11734
215.0000 -174.24227 -162.12352 12.11875 3.36637 -161.38084 1354.82429
220.0000 -178.33998 -166.60163 11.73834 3.18159 -164.66706 1238.39973
225.0000 -174.04874 -163.96500 10.08374 3.17952 -164.70388 1236.51749
230.0000 -176.38493 -163.66387 12.72107 3.18932 -164.52966 1221.18301
235.0000 -177.29819 -164.46868 12.82951 3.25511 -163.35967 1313.40808
240.0000 -174.57110 -162.55762 12.01348 3.25803 -163.30773 1265.04905
245.0000 -176.38030 -164.37615 12.00415 3.28524 -162.82376 1286.42822
250.0000 -176.16891 -162.56349 13.60542 3.19340 -164.45713 1256.91817
FREEZING PROCESS: loop number 2 T-loop= 1201.0000000000000
main_MD> interactions number 2 at Temperature= 1201.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.39614 -8.16467 -1.42135
force_rgl> df(natom) 1.97038 1.88814 1.55690
255.0000 -176.31896 -164.06262 12.25634 3.24204 -163.59209 1246.07250
260.0000 -173.51614 -160.14617 13.36997 3.28201 -162.88114 1264.73795
265.0000 -173.66640 -161.80133 11.86507 3.39053 -160.95118 1351.70113
270.0000 -176.22208 -164.22213 11.99995 3.22443 -163.90526 1231.67477
275.0000 -176.20659 -164.39101 11.81558 3.19738 -164.38631 1217.20688
280.0000 -174.70909 -162.17261 12.53648 3.30751 -162.42778 1298.46817
285.0000 -175.01774 -161.91285 13.10490 3.36482 -161.40839 1318.34711
290.0000 -170.82730 -160.50426 10.32304 3.43813 -160.10467 1394.75659
295.0000 -173.92425 -160.92015 13.00410 3.34709 -161.72370 1327.77847
300.0000 -175.42650 -162.83186 12.59465 3.33608 -161.91957 1307.70217
305.0000 -175.27246 -163.47901 11.79346 3.27520 -163.00227 1263.75735
310.0000 -175.64124 -162.45913 13.18211 3.31866 -162.22947 1278.16769
315.0000 -175.10866 -161.97173 13.13694 3.34159 -161.82153 1333.74350
320.0000 -175.99477 -165.68613 10.30864 3.26204 -163.23637 1235.30392
325.0000 -173.89458 -162.51860 11.37598 3.29062 -162.72810 1266.34838
330.0000 -178.69768 -165.58227 13.11541 3.22835 -163.83549 1228.37013
335.0000 -174.18828 -162.51772 11.67056 3.22186 -163.95093 1258.96214
340.0000 -176.70218 -165.32927 11.37291 3.23708 -163.68030 1274.50835
345.0000 -174.75223 -162.58513 12.16710 3.17729 -164.74358 1221.45949
350.0000 -177.13684 -164.20160 12.93525 3.23729 -163.67655 1249.94070
355.0000 -178.44789 -166.40325 12.04465 3.14005 -165.40589 1185.13715
360.0000 -176.35931 -163.80607 12.55324 3.13479 -165.49940 1156.56082
365.0000 -176.94317 -165.09095 11.85222 3.16546 -164.95398 1175.20998
370.0000 -175.94339 -164.09010 11.85329 3.14573 -165.30492 1168.44341
375.0000 -175.47475 -164.91754 10.55721 3.16134 -165.02724 1164.49702
380.0000 -177.99994 -167.81842 10.18152 3.07857 -166.49932 1166.97985
385.0000 -173.76185 -162.79751 10.96434 3.11157 -165.91247 1157.19647
390.0000 -176.82862 -162.02842 14.80020 3.39013 -160.95843 1370.31653
395.0000 -176.34964 -165.94471 10.40493 3.34623 -161.73908 1330.64862
400.0000 -177.39424 -167.43800 9.95624 3.04235 -167.14346 1109.37804
405.0000 -174.91576 -164.04906 10.86670 3.06508 -166.73911 1140.46156
410.0000 -174.67867 -161.46912 13.20955 3.31480 -162.29812 1312.73748
415.0000 -175.58120 -163.71842 11.86278 3.30272 -162.51285 1254.80612
420.0000 -174.96356 -164.16108 10.80248 3.17221 -164.83394 1189.06920
425.0000 -177.20983 -164.88086 12.32897 3.21644 -164.04726 1247.68271
430.0000 -178.37223 -165.09764 13.27459 3.19516 -164.42584 1214.61332
435.0000 -176.13719 -164.93150 11.20570 3.08844 -166.32371 1127.76196
440.0000 -175.38599 -164.44415 10.94184 3.20655 -164.22314 1234.85206
445.0000 -176.54357 -164.35652 12.18704 3.19100 -164.49974 1221.24232
450.0000 -176.71076 -166.54184 10.16892 3.20988 -164.16404 1234.77221
455.0000 -175.28034 -164.12868 11.15166 3.10829 -165.97078 1143.34252
460.0000 -177.50879 -166.83626 10.67253 3.11193 -165.90598 1137.14459
465.0000 -179.36819 -167.15004 12.21815 3.04559 -167.08573 1150.49844
470.0000 -177.61600 -166.26944 11.34656 3.09277 -166.24667 1156.61320
475.0000 -177.12151 -165.81713 11.30438 3.15972 -165.05614 1203.13779
480.0000 -177.76221 -166.01523 11.74698 3.08381 -166.40602 1151.32709
485.0000 -177.76187 -166.46776 11.29411 3.07793 -166.51072 1161.13062
490.0000 -178.11999 -167.22085 10.89915 3.12266 -165.71519 1172.00626
495.0000 -177.87654 -167.22938 10.64716 3.00918 -167.73338 1098.30656
500.0000 -176.94902 -167.14751 9.80151 3.04279 -167.13559 1089.17104
FREEZING PROCESS: loop number 3 T-loop= 1176.0000000000000
main_MD> interactions number 3 at Temperature= 1176.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.62405 -1.01328 -0.54671
force_rgl> df(natom) -1.03711 1.77876 -3.43582
505.0000 -178.22098 -167.18805 11.03292 3.09693 -166.17273 1140.92118
510.0000 -176.49840 -166.33674 10.16166 3.06625 -166.71834 1131.60978
515.0000 -176.28353 -166.19699 10.08654 3.00484 -167.81050 1077.53472
520.0000 -177.88668 -165.53207 12.35461 3.10048 -166.10954 1142.00785
525.0000 -175.60563 -165.18943 10.41620 3.15068 -165.21691 1184.82686
530.0000 -177.04576 -163.47292 13.57284 3.19441 -164.43905 1216.77860
535.0000 -177.57031 -166.07402 11.49629 3.20036 -164.33334 1210.89245
540.0000 -177.63980 -165.81390 11.82590 3.12299 -165.70933 1180.67090
545.0000 -175.27648 -163.75149 11.52499 3.13236 -165.54267 1159.15038
550.0000 -177.41105 -166.88997 10.52109 3.05256 -166.96181 1137.51460
555.0000 -174.39401 -166.02460 8.36941 3.18663 -164.57744 1222.33255
560.0000 -178.78040 -167.22429 11.55611 3.06270 -166.78153 1133.45978
565.0000 -176.46099 -166.91326 9.54773 3.04920 -167.02159 1139.37333
570.0000 -181.07532 -170.46355 10.61177 2.95016 -168.78301 1076.05235
575.0000 -177.66168 -166.91157 10.75012 3.01692 -167.59563 1112.98562
580.0000 -177.13920 -166.02118 11.11802 3.06258 -166.78359 1123.39861
585.0000 -179.25648 -168.02220 11.23428 2.93668 -169.02263 1048.48394
590.0000 -178.20980 -167.61159 10.59821 3.02304 -167.48684 1115.57227
595.0000 -178.91149 -169.73078 9.18070 3.02434 -167.46366 1117.00304
600.0000 -179.10392 -169.58785 9.51607 2.89632 -169.74048 1033.50919
605.0000 -177.08062 -165.18539 11.89523 2.98705 -168.12691 1117.75310
610.0000 -178.11849 -166.13280 11.98570 3.09658 -166.17890 1133.03892
615.0000 -175.84529 -166.40858 9.43671 3.09464 -166.21348 1139.18802
620.0000 -177.33172 -166.11257 11.21914 3.11998 -165.76280 1164.45378
625.0000 -175.75094 -162.81432 12.93662 3.17951 -164.70413 1192.62912
630.0000 -176.18356 -163.92211 12.26145 3.27992 -162.91843 1293.26183
635.0000 -175.69944 -165.23918 10.46025 3.21062 -164.15090 1203.68409
640.0000 -176.50660 -166.12180 10.38480 3.06918 -166.66625 1152.50759
645.0000 -177.57451 -167.14347 10.43104 3.03565 -167.26261 1087.47106
650.0000 -178.04110 -167.71280 10.32830 3.02961 -167.37004 1100.55248
655.0000 -178.23752 -165.97050 12.26703 3.10459 -166.03644 1167.43271
660.0000 -179.45713 -168.71578 10.74135 3.07277 -166.60244 1138.15477
665.0000 -177.09522 -167.93983 9.15539 2.97831 -168.28233 1061.75218
670.0000 -176.43898 -164.85466 11.58432 3.06532 -166.73486 1128.88798
675.0000 -176.90334 -164.42424 12.47910 3.15135 -165.20486 1157.28611
680.0000 -173.67768 -163.71102 9.96666 3.16712 -164.92449 1221.74650
685.0000 -174.93546 -162.43123 12.50423 3.21085 -164.14683 1216.54888
690.0000 -177.22858 -165.37535 11.85323 3.22390 -163.91474 1242.31971
695.0000 -176.56357 -167.15904 9.40453 3.09129 -166.27314 1171.41270
700.0000 -177.81471 -166.40474 11.40997 3.10033 -166.11220 1145.58914
705.0000 -177.27268 -165.87711 11.39556 3.06192 -166.79541 1127.73892
710.0000 -178.49697 -167.61118 10.88580 3.10356 -166.05484 1146.95613
715.0000 -176.00392 -164.45090 11.55303 3.08334 -166.41445 1147.60159
720.0000 -179.09944 -166.90833 12.19111 3.14861 -165.25361 1204.55469
725.0000 -177.56550 -164.64376 12.92174 3.13557 -165.48554 1186.13364
730.0000 -177.83948 -166.50386 11.33563 3.14159 -165.37844 1192.30322
735.0000 -176.13465 -165.69545 10.43920 3.07901 -166.49136 1136.17719
740.0000 -176.46347 -165.74723 10.71624 3.12402 -165.69089 1189.78731
745.0000 -180.27570 -167.62113 12.65457 3.08462 -166.39159 1154.85285
750.0000 -178.18478 -168.50255 9.68223 2.95959 -168.61529 1085.51654
FREEZING PROCESS: loop number 4 T-loop= 1151.0000000000000
main_MD> interactions number 4 at Temperature= 1151.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76030 1.59916 -2.32093
force_rgl> df(natom) -2.16417 -0.74794 -1.35833
755.0000 -177.88558 -165.60896 12.27662 3.09625 -166.18486 1173.86794
760.0000 -175.77124 -164.70747 11.06378 3.06839 -166.68041 1144.41833
765.0000 -174.91300 -163.34092 11.57207 3.14240 -165.36417 1172.41038
770.0000 -178.03441 -166.77793 11.25648 3.13443 -165.50592 1190.33101
775.0000 -177.21498 -166.98139 10.23359 3.09113 -166.27591 1136.72312
780.0000 -177.09140 -165.69721 11.39419 3.11614 -165.83104 1153.28851
785.0000 -180.04028 -167.51264 12.52764 3.08602 -166.36674 1141.33102
790.0000 -177.55733 -167.38476 10.17257 3.00915 -167.73379 1083.02177
795.0000 -178.88474 -168.69412 10.19063 3.03261 -167.31665 1113.85955
800.0000 -176.89595 -166.13259 10.76336 3.05445 -166.92818 1091.20806
805.0000 -177.83680 -166.74433 11.09246 3.08794 -166.33264 1134.45740
810.0000 -178.04252 -167.11159 10.93093 3.06630 -166.71755 1149.41240
815.0000 -179.44974 -167.56379 11.88595 3.01732 -167.58862 1106.91091
820.0000 -177.61347 -166.33018 11.28330 3.08749 -166.34062 1170.18302
825.0000 -176.46076 -163.76929 12.69147 3.11038 -165.93347 1164.26203
830.0000 -176.29790 -162.63896 13.65893 3.22001 -163.98390 1217.46886
835.0000 -176.15619 -164.48167 11.67452 3.22095 -163.96716 1261.59797
840.0000 -174.80492 -164.00606 10.79885 3.27069 -163.08253 1247.45944
845.0000 -176.77130 -166.35813 10.41317 3.17076 -164.85966 1193.27906
850.0000 -179.39120 -168.58335 10.80785 3.02997 -167.36367 1097.47935
855.0000 -176.17304 -166.37253 9.80051 3.10335 -166.05859 1151.26613
860.0000 -178.85121 -166.82632 12.02489 3.07033 -166.64583 1134.80137
865.0000 -179.57180 -169.19560 10.37621 2.99230 -168.03361 1108.31001
870.0000 -178.08935 -166.35068 11.73866 3.03636 -167.25002 1112.27106
875.0000 -180.31302 -168.98798 11.32504 3.02508 -167.45061 1089.09094
880.0000 -177.05081 -166.24879 10.80202 3.02793 -167.39987 1097.57796
885.0000 -178.92977 -167.36540 11.56437 3.07212 -166.61390 1141.04532
890.0000 -177.27656 -167.36330 9.91326 2.97081 -168.41572 1014.93961
895.0000 -177.82157 -166.22700 11.59457 3.03505 -167.27328 1124.31903
900.0000 -176.66772 -166.18160 10.48612 3.09274 -166.24723 1178.85943
905.0000 -178.40476 -168.54107 9.86369 3.04017 -167.18218 1126.26795
910.0000 -178.29717 -167.87880 10.41837 3.01252 -167.67392 1084.87810
915.0000 -178.48170 -168.43372 10.04798 3.03644 -167.24848 1129.12635
920.0000 -177.69700 -166.27969 11.41731 3.02377 -167.47389 1119.25843
925.0000 -179.66006 -168.22305 11.43701 3.05550 -166.90957 1107.37779
930.0000 -176.85653 -164.86830 11.98823 3.03035 -167.35693 1139.23246
935.0000 -177.86687 -165.85620 12.01067 3.16981 -164.87660 1233.89968
940.0000 -177.59050 -166.33771 11.25280 3.10094 -166.10138 1168.44411
945.0000 -177.45647 -167.36579 10.09068 3.08379 -166.40645 1171.47013
950.0000 -178.13700 -169.02154 9.11546 3.00859 -167.74377 1095.66186
955.0000 -178.52813 -168.54358 9.98455 2.95892 -168.62720 1081.81807
960.0000 -178.99902 -169.31006 9.68897 2.87663 -170.09066 1022.36395
965.0000 -180.06333 -170.27616 9.78717 2.90341 -169.61447 1046.58457
970.0000 -180.49601 -168.66688 11.82913 2.92011 -169.31735 1039.64734
975.0000 -179.03515 -167.79954 11.23561 3.00594 -167.79093 1103.02143
980.0000 -179.08173 -168.80293 10.27880 2.94317 -168.90731 1089.20185
985.0000 -178.52353 -169.19269 9.33084 2.94343 -168.90260 1023.29638
990.0000 -178.99314 -167.45877 11.53437 3.01117 -167.69797 1112.70286
995.0000 -176.39860 -164.87725 11.52135 3.05999 -166.82975 1141.29723
1000.0000 -176.79668 -165.57600 11.22068 3.17072 -164.86038 1223.50569
FREEZING PROCESS: loop number 5 T-loop= 1126.0000000000000
main_MD> interactions number 5 at Temperature= 1126.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.39308 -1.09954 2.04477
force_rgl> df(natom) 0.92102 -2.26837 -0.19755
1005.0000 -176.23817 -165.12148 11.11669 3.10877 -165.96220 1122.70513
1010.0000 -176.42564 -166.10878 10.31686 3.15295 -165.17649 1175.75985
1015.0000 -176.80462 -166.36288 10.44174 3.11300 -165.88702 1154.05189
1020.0000 -176.95023 -166.55012 10.40011 3.09597 -166.18983 1166.50530
1025.0000 -178.23452 -167.93936 10.29516 3.05476 -166.92281 1119.69580
1030.0000 -176.80119 -166.56857 10.23263 3.02264 -167.49399 1121.49231
1035.0000 -179.05682 -167.83035 11.22646 3.02381 -167.47321 1112.93759
1040.0000 -176.89476 -167.39134 9.50342 3.03443 -167.28425 1136.06659
1045.0000 -177.12546 -165.84464 11.28082 3.06280 -166.77967 1123.33304
1050.0000 -178.41016 -166.47860 11.93156 3.13625 -165.47343 1163.51222
1055.0000 -178.32465 -167.76831 10.55633 3.05162 -166.97857 1140.02219
1060.0000 -179.04470 -168.16485 10.87984 2.91970 -169.32476 1075.13076
1065.0000 -176.12678 -163.61445 12.51233 3.10107 -166.09908 1171.73914
1070.0000 -177.03528 -166.89397 10.14131 3.17013 -164.87099 1226.28104
1075.0000 -177.90909 -164.26428 13.64481 3.08679 -166.35315 1168.24530
1080.0000 -178.67947 -167.46092 11.21855 3.07886 -166.49416 1152.73189
1085.0000 -177.77947 -166.00388 11.77558 3.09757 -166.16129 1176.59322
1090.0000 -179.06430 -168.63752 10.42678 3.03982 -167.18841 1154.86451
1095.0000 -181.77200 -171.46795 10.30404 2.93040 -169.13448 1035.49965
1100.0000 -181.07712 -168.74305 12.33407 2.90305 -169.62077 1027.67576
1105.0000 -180.03041 -169.38522 10.64519 2.95021 -168.78210 1075.65357
1110.0000 -177.94416 -165.51207 12.43209 2.98608 -168.14423 1082.70191
1115.0000 -178.32482 -166.21081 12.11401 3.14844 -165.25673 1201.02813
1120.0000 -176.49905 -165.96429 10.53476 3.03689 -167.24050 1128.95513
1125.0000 -177.22999 -168.15174 9.07825 3.09086 -166.28062 1155.81311
1130.0000 -179.10516 -167.18676 11.91841 3.06197 -166.79444 1117.35994
1135.0000 -178.05203 -168.26358 9.78845 3.00572 -167.79485 1080.33695
1140.0000 -178.57794 -167.02712 11.55083 3.03371 -167.29700 1121.83415
1145.0000 -178.44090 -167.50904 10.93186 3.05083 -166.99265 1147.51148
1150.0000 -175.34432 -165.61893 9.72538 3.05609 -166.89911 1125.83235
1155.0000 -176.32129 -165.19249 11.12880 3.17525 -164.77989 1158.47140
1160.0000 -178.01415 -168.46298 9.55116 3.15622 -165.11832 1161.50590
1165.0000 -178.97829 -169.45352 9.52477 2.96152 -168.58099 1051.67969
1170.0000 -176.98687 -166.39424 10.59263 3.02881 -167.38431 1105.89439
1175.0000 -177.01747 -165.97535 11.04212 3.05749 -166.87412 1159.16089
1180.0000 -176.83578 -166.27786 10.55793 3.07686 -166.52962 1138.91698
1185.0000 -178.96119 -167.95360 11.00759 3.05395 -166.93720 1122.32086
1190.0000 -177.50699 -166.55793 10.94906 3.06694 -166.70616 1119.50460
1195.0000 -177.83096 -166.23984 11.59112 3.10422 -166.04311 1192.34799
1200.0000 -178.15994 -165.52154 12.63840 3.08135 -166.44985 1166.68146
1205.0000 -176.96588 -165.99244 10.97344 3.09067 -166.28415 1158.40524
1210.0000 -177.11959 -166.41033 10.70925 3.11451 -165.86013 1159.00828
1215.0000 -177.83650 -164.94760 12.88889 3.05339 -166.94712 1114.85229
1220.0000 -178.96709 -166.68884 12.27825 3.11900 -165.78033 1178.03223
1225.0000 -177.54259 -164.00845 13.53414 3.16803 -164.90834 1215.83158
1230.0000 -178.42908 -166.80470 11.62437 3.12984 -165.58752 1126.23078
1235.0000 -177.25352 -167.60351 9.65001 3.04444 -167.10631 1119.79313
1240.0000 -178.97945 -168.55253 10.42692 3.00442 -167.81808 1114.00791
1245.0000 -177.23500 -166.62992 10.60508 2.99757 -167.93976 1072.66191
1250.0000 -178.31139 -169.09226 9.21913 2.91312 -169.44171 1041.46454
FREEZING PROCESS: loop number 6 T-loop= 1101.0000000000000
main_MD> interactions number 6 at Temperature= 1101.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.88277 -4.35105 1.46099
force_rgl> df(natom) -1.50501 4.06357 -4.52573
1255.0000 -177.56752 -167.01607 10.55145 2.95629 -168.67397 1056.06349
1260.0000 -177.35421 -167.28037 10.07384 3.03047 -167.35466 1082.22955
1265.0000 -177.48865 -167.49889 9.98976 3.05727 -166.87809 1086.35559
1270.0000 -180.16168 -171.15966 9.00202 2.84707 -170.61647 986.63272
1275.0000 -177.25329 -165.68993 11.56336 2.98724 -168.12362 1080.21564
1280.0000 -176.11820 -165.79997 10.31823 3.09970 -166.12357 1163.04480
1285.0000 -178.11912 -168.35608 9.76304 3.01914 -167.55625 1086.13850
1290.0000 -176.71331 -164.70516 12.00815 3.09178 -166.26438 1150.92003
1295.0000 -177.31833 -165.67210 11.64623 3.10595 -166.01227 1168.60697
1300.0000 -177.79707 -166.63473 11.16234 3.02321 -167.48374 1116.27469
1305.0000 -178.58859 -168.78899 9.79960 3.02470 -167.45727 1117.23226
1310.0000 -178.48553 -168.35855 10.12697 2.98139 -168.22764 1081.24229
1315.0000 -179.19604 -168.07810 11.11794 3.03376 -167.29619 1124.91559
1320.0000 -177.92596 -167.03356 10.89240 3.04025 -167.18072 1130.01423
1325.0000 -180.00505 -168.74470 11.26035 2.99174 -168.04350 1109.64682
1330.0000 -179.09435 -170.31583 8.77852 2.88370 -169.96485 1001.19895
1335.0000 -179.72457 -169.02690 10.69767 2.94174 -168.93281 1055.18616
1340.0000 -178.84739 -168.12512 10.72227 2.94076 -168.95017 1077.19929
1345.0000 -177.29714 -167.09519 10.20195 2.96961 -168.43714 1058.01030
1350.0000 -176.39264 -166.05223 10.34041 3.07236 -166.60966 1140.66140
1355.0000 -177.21495 -167.57759 9.63736 3.01407 -167.64643 1099.30353
1360.0000 -179.30037 -169.34328 9.95708 2.99414 -168.00081 1115.97927
1365.0000 -180.22620 -167.49037 12.73582 2.98811 -168.10799 1106.70396
1370.0000 -179.03938 -165.57115 13.46822 3.04426 -167.10943 1120.63615
1375.0000 -180.04481 -170.37828 9.66653 2.98382 -168.18438 1101.23915
1380.0000 -177.65393 -167.15501 10.49892 2.94524 -168.87045 1046.78176
1385.0000 -180.66313 -169.45197 11.21115 3.02355 -167.47774 1106.55847
1390.0000 -180.46928 -170.60680 9.86248 2.93254 -169.09638 1062.87007
1395.0000 -178.74522 -169.43322 9.31200 2.86128 -170.36361 1002.13544
1400.0000 -176.50315 -166.45936 10.04379 2.93955 -168.97165 1056.64419
1405.0000 -176.34755 -164.58105 11.76650 3.13283 -165.53434 1172.01838
1410.0000 -175.97257 -165.54226 10.43030 3.13277 -165.53544 1166.97736
1415.0000 -177.89679 -166.71853 11.17826 3.10451 -166.03792 1163.44261
1420.0000 -178.64565 -168.75632 9.88934 2.98409 -168.17955 1088.51607
1425.0000 -178.78545 -168.25162 10.53383 2.92272 -169.27096 1061.25046
1430.0000 -177.87157 -167.07898 10.79259 3.01786 -167.57905 1109.74601
1435.0000 -176.43056 -166.70238 9.72818 3.03403 -167.29147 1103.13831
1440.0000 -176.97874 -166.82501 10.15373 3.10905 -165.95729 1147.89922
1445.0000 -177.88945 -166.96963 10.91982 3.04825 -167.03847 1099.36410
1450.0000 -178.49011 -166.90254 11.58757 3.03008 -167.36157 1085.32322
1455.0000 -179.18724 -170.03148 9.15577 3.03666 -167.24468 1124.88280
1460.0000 -178.38202 -166.98557 11.39645 3.02521 -167.44823 1126.87633
1465.0000 -178.99798 -168.09682 10.90117 3.10964 -165.94671 1164.97795
1470.0000 -179.96589 -167.66388 12.30201 3.01428 -167.64270 1108.00806
1475.0000 -179.13556 -168.34059 10.79497 2.98384 -168.18405 1111.34256
1480.0000 -177.15166 -165.85435 11.29731 3.07288 -166.60053 1099.24003
1485.0000 -177.40889 -166.67722 10.73167 3.10812 -165.97377 1140.39809
1490.0000 -175.45313 -166.16352 9.28961 3.10274 -166.06942 1147.98416
1495.0000 -177.64497 -165.82008 11.82489 3.05186 -166.97426 1146.84699
1500.0000 -177.52427 -165.91658 11.60769 3.15473 -165.14486 1194.70579
FREEZING PROCESS: loop number 7 T-loop= 1076.0000000000000
main_MD> interactions number 7 at Temperature= 1076.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05084 0.21000 0.40855
force_rgl> df(natom) -0.35754 -5.12158 0.15967
1505.0000 -178.85728 -168.45303 10.40425 3.01725 -167.58988 1135.56106
1510.0000 -177.83867 -168.12374 9.71492 3.03733 -167.23262 1110.83021
1515.0000 -179.87197 -170.31113 9.56084 2.89746 -169.72029 991.21840
1520.0000 -180.95901 -171.33272 9.62629 2.83129 -170.89704 965.88133
1525.0000 -180.15411 -170.20996 9.94415 2.82589 -170.99298 982.72738
1530.0000 -179.29264 -169.92016 9.37248 2.90074 -169.66187 1041.67050
1535.0000 -180.50467 -169.95129 10.55338 2.91180 -169.46527 1056.06788
1540.0000 -178.20826 -169.52258 8.68569 2.89829 -169.70538 1042.28877
1545.0000 -181.79537 -172.43356 9.36180 2.84278 -170.69269 985.41187
1550.0000 -179.24852 -170.96623 8.28229 2.84249 -170.69779 993.73841
1555.0000 -179.19435 -168.91284 10.28151 2.92413 -169.24599 1047.55360
1560.0000 -178.62818 -166.83251 11.79567 2.93524 -169.04838 1055.08517
1565.0000 -178.69427 -167.25553 11.43874 3.06075 -166.81612 1127.90971
1570.0000 -177.98750 -167.26142 10.72608 2.96723 -168.47938 1049.62059
1575.0000 -179.21695 -168.19629 11.02065 2.99282 -168.02432 1116.36903
1580.0000 -179.66934 -168.41699 11.25235 2.99482 -167.98864 1133.95607
1585.0000 -177.78954 -165.74155 12.04799 3.11135 -165.91628 1169.70381
1590.0000 -179.32812 -169.92244 9.40568 2.99330 -168.01575 1093.64846
1595.0000 -181.23559 -171.91281 9.32278 2.86797 -170.24463 1008.31686
1600.0000 -179.08487 -168.92389 10.16098 2.88550 -169.93292 1010.21845
1605.0000 -180.18740 -169.51829 10.66912 2.93764 -169.00564 1057.73667
1610.0000 -177.29677 -167.30864 9.98813 3.00669 -167.77762 1087.08839
1615.0000 -178.04103 -167.15212 10.88891 3.05541 -166.91115 1107.99344
1620.0000 -177.28716 -165.64454 11.64262 3.07682 -166.53046 1159.06484
1625.0000 -175.65938 -165.89704 9.76234 3.12069 -165.75027 1170.24706
1630.0000 -177.58560 -167.87529 9.71031 3.09978 -166.12201 1116.34325
1635.0000 -180.44072 -170.56504 9.87568 3.00188 -167.86313 1102.89573
1640.0000 -180.41195 -170.85590 9.55604 2.83614 -170.81082 991.29566
1645.0000 -180.00364 -170.78642 9.21722 2.85001 -170.56408 951.74283
1650.0000 -180.86257 -169.49733 11.36524 2.86083 -170.37173 995.76190
1655.0000 -177.70705 -168.30747 9.39958 2.97157 -168.40214 1091.39772
1660.0000 -178.13678 -167.89100 10.24578 3.02041 -167.53367 1105.37335
1665.0000 -180.66654 -171.26661 9.39993 2.88219 -169.99171 1011.71681
1670.0000 -179.73913 -169.44193 10.29720 2.89932 -169.68716 1018.11967
1675.0000 -179.64029 -167.83957 11.80072 2.97579 -168.32718 1113.40081
1680.0000 -180.73329 -171.95142 8.78187 2.89801 -169.71035 1051.27094
1685.0000 -179.49376 -170.75395 8.73982 2.84733 -170.61176 985.25927
1690.0000 -177.82481 -167.70103 10.12378 2.92656 -169.20277 1027.15900
1695.0000 -179.81581 -169.30547 10.51034 2.90308 -169.62032 1042.81936
1700.0000 -177.47060 -166.57683 10.89376 3.01711 -167.59229 1104.98940
1705.0000 -176.86726 -166.04622 10.82104 3.08905 -166.31288 1133.67737
1710.0000 -180.67589 -167.78729 12.88860 2.99477 -167.98961 1102.16064
1715.0000 -178.35668 -168.69601 9.66067 3.01550 -167.62100 1113.44600
1720.0000 -179.09785 -169.55926 9.53859 2.96098 -168.59059 1057.64653
1725.0000 -178.12770 -168.09840 10.02929 2.90849 -169.52397 1062.08342
1730.0000 -177.39637 -165.96179 11.43458 3.05801 -166.86494 1120.18116
1735.0000 -178.05469 -168.72195 9.33274 2.96759 -168.47295 1049.07060
1740.0000 -176.71185 -165.94860 10.76325 2.98376 -168.18537 1049.77623
1745.0000 -178.71420 -169.01892 9.69528 2.96259 -168.56198 1079.69829
1750.0000 -176.98461 -166.24381 10.74080 2.97571 -168.32857 1105.30699
FREEZING PROCESS: loop number 8 T-loop= 1051.0000000000000
main_MD> interactions number 8 at Temperature= 1051.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50352 -7.96655 6.01391
force_rgl> df(natom) 2.13097 -2.24660 0.04444
1755.0000 -178.14246 -167.39922 10.74324 3.07880 -166.49519 1143.44932
1760.0000 -178.63568 -167.64046 10.99522 3.00343 -167.83565 1072.22572
1765.0000 -178.79731 -168.39489 10.40241 3.03533 -167.26826 1139.63023
1770.0000 -180.24315 -169.55960 10.68355 2.94633 -168.85109 1084.46571
1775.0000 -180.25710 -171.73296 8.52414 2.87715 -170.08148 1023.39623
1780.0000 -179.29859 -168.45897 10.83962 2.86472 -170.30247 994.40306
1785.0000 -180.85841 -169.99405 10.86437 2.92541 -169.22312 1045.17683
1790.0000 -178.19999 -169.37087 8.82912 2.92934 -169.15330 1059.63310
1795.0000 -178.24483 -168.06422 10.18061 2.93771 -169.00446 1030.74594
1800.0000 -178.05618 -168.32265 9.73353 2.91958 -169.32685 1032.84141
1805.0000 -178.60856 -166.97924 11.62932 3.00934 -167.73051 1066.48605
1810.0000 -176.21837 -166.06831 10.15006 3.10843 -165.96815 1158.96416
1815.0000 -175.56968 -166.16630 9.40338 3.08088 -166.45818 1149.74741
1820.0000 -177.79281 -167.73435 10.05846 3.00381 -167.82881 1096.12191
1825.0000 -178.91047 -168.00791 10.90256 3.02005 -167.54010 1111.25203
1830.0000 -178.29362 -169.12117 9.17245 2.94766 -168.82745 1055.20362
1835.0000 -178.01887 -168.72942 9.28945 2.89807 -169.70937 1058.94653
1840.0000 -179.14611 -169.21586 9.93025 2.99607 -167.96656 1101.46654
1845.0000 -179.85848 -170.24229 9.61619 2.89868 -169.69851 1020.76966
1850.0000 -178.60248 -167.77225 10.83023 2.92949 -169.15051 1066.67343
1855.0000 -180.01609 -170.18435 9.83174 2.89224 -169.81301 1009.41699
1860.0000 -180.55844 -172.57638 7.98205 2.81150 -171.24899 961.11192
1865.0000 -180.88139 -168.58962 12.29177 2.82192 -171.06358 966.20795
1870.0000 -179.59231 -167.67362 11.91869 2.99629 -167.96266 1090.05879
1875.0000 -178.79652 -170.30376 8.49276 2.95868 -168.63141 1074.15060
1880.0000 -178.39565 -165.99439 12.40126 3.01056 -167.70871 1105.40400
1885.0000 -179.04783 -169.20032 9.84751 3.00595 -167.79078 1088.11429
1890.0000 -178.05877 -165.44151 12.61726 3.00050 -167.88773 1096.20107
1895.0000 -177.71760 -167.52918 10.18841 3.06009 -166.82787 1149.96781
1900.0000 -180.35389 -170.59538 9.75851 2.96357 -168.54458 1065.04500
1905.0000 -179.44914 -168.53090 10.91824 2.90543 -169.57848 1028.46531
1910.0000 -179.69132 -169.79889 9.89242 2.96611 -168.49939 1067.85407
1915.0000 -179.58732 -169.68259 9.90473 2.89105 -169.83420 1014.57357
1920.0000 -178.13171 -168.33820 9.79351 2.88849 -169.87967 1027.64721
1925.0000 -180.89987 -169.82891 11.07096 2.90355 -169.61194 1031.02040
1930.0000 -181.30543 -171.04024 10.26519 2.86446 -170.30704 1009.97721
1935.0000 -179.67536 -169.92382 9.75154 2.87221 -170.16932 1018.57443
1940.0000 -180.53517 -169.83864 10.69653 2.88932 -169.86500 1044.13616
1945.0000 -178.60860 -169.04142 9.56718 2.97637 -168.31685 1068.29977
1950.0000 -176.99670 -166.37773 10.61897 3.06752 -166.69573 1123.17016
1955.0000 -179.25519 -168.74227 10.51292 3.08650 -166.35830 1132.85352
1960.0000 -180.00835 -169.60252 10.40583 2.92216 -169.28089 1049.41163
1965.0000 -179.19681 -167.34391 11.85290 2.97302 -168.37641 1066.50587
1970.0000 -180.24343 -168.37425 11.86918 2.95511 -168.69493 1095.87277
1975.0000 -180.80833 -171.35124 9.45709 2.89137 -169.82852 1024.59069
1980.0000 -179.37215 -168.00525 11.36690 2.96618 -168.49807 1073.36011
1985.0000 -177.49083 -168.92806 8.56276 2.96182 -168.57570 1070.56475
1990.0000 -180.50102 -170.05093 10.45009 2.88081 -170.01640 1005.18821
1995.0000 -180.36447 -171.21049 9.15398 2.84982 -170.56751 1000.76457
2000.0000 -180.14345 -169.33154 10.81190 2.87543 -170.11205 1018.33578
FREEZING PROCESS: loop number 9 T-loop= 1026.0000000000000
main_MD> interactions number 9 at Temperature= 1026.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57131 -0.93247 -1.42109
force_rgl> df(natom) 4.16688 -0.69782 2.69271
2005.0000 -179.43394 -168.34572 11.08822 2.96009 -168.60632 1047.21925
2010.0000 -177.17763 -166.62274 10.55489 2.97544 -168.33333 1056.00289
2015.0000 -179.53476 -168.52246 11.01230 3.01901 -167.55855 1116.57017
2020.0000 -179.79977 -171.10307 8.69670 2.88614 -169.92145 1024.74314
2025.0000 -178.51107 -168.53484 9.97622 2.90240 -169.63244 1028.27880
2030.0000 -178.27133 -168.86663 9.40471 2.95790 -168.64538 1081.88099
2035.0000 -180.48765 -170.86162 9.62602 2.87403 -170.13691 988.71704
2040.0000 -179.16555 -169.63005 9.53550 2.89687 -169.73067 995.70487
2045.0000 -178.08517 -167.44152 10.64365 2.99522 -167.98166 1090.78957
2050.0000 -178.09297 -167.26101 10.83197 3.02494 -167.45305 1092.94226
2055.0000 -178.53283 -169.59414 8.93869 2.95130 -168.76264 1031.12447
2060.0000 -178.34342 -168.00721 10.33621 2.92615 -169.21007 1019.53288
2065.0000 -180.63450 -170.93498 9.69952 2.93455 -169.06067 1080.12526
2070.0000 -181.30677 -171.16412 10.14265 2.81002 -171.27524 970.06593
2075.0000 -178.69683 -168.94442 9.75242 2.88017 -170.02774 995.18215
2080.0000 -178.85595 -169.48939 9.36656 2.99100 -168.05662 1113.86190
2085.0000 -180.17556 -167.50159 12.67397 2.93148 -169.11527 1030.08748
2090.0000 -178.34451 -168.49065 9.85386 3.02757 -167.40637 1097.61097
2095.0000 -180.11157 -169.08361 11.02796 2.96672 -168.48843 1063.54898
2100.0000 -179.24280 -169.15697 10.08583 2.93299 -169.08841 1047.01933
2105.0000 -180.06437 -171.18080 8.88357 2.88092 -170.01445 1008.95222
2110.0000 -178.55380 -169.94972 8.60409 2.91768 -169.36054 1051.99427
2115.0000 -178.37535 -170.35516 8.02019 2.91039 -169.49031 1033.18549
2120.0000 -179.26711 -170.23616 9.03095 2.82357 -171.03429 955.20576
2125.0000 -179.66304 -170.42575 9.23729 2.87074 -170.19547 995.76990
2130.0000 -177.84627 -168.74926 9.09702 2.90635 -169.56218 1010.99814
2135.0000 -179.39821 -169.21556 10.18265 2.93404 -169.06969 1059.22224
2140.0000 -179.96754 -171.36844 8.59910 2.91785 -169.35758 1038.37926
2145.0000 -179.43057 -169.91174 9.51883 2.81457 -171.19435 948.55141
2150.0000 -180.84206 -173.15975 7.68230 2.80758 -171.31871 968.21955
2155.0000 -180.58860 -172.48915 8.09945 2.72054 -172.86661 894.02901
2160.0000 -180.08536 -170.92226 9.16311 2.76799 -172.02285 921.89006
2165.0000 -178.69576 -168.60048 10.09528 2.90135 -169.65108 1018.52575
2170.0000 -179.26792 -170.27303 8.99489 2.90266 -169.62772 1026.63762
2175.0000 -179.78483 -169.68858 10.09625 2.86644 -170.27195 1011.76046
2180.0000 -179.06740 -168.68394 10.38346 2.94354 -168.90067 1038.76234
2185.0000 -179.24594 -169.59935 9.64659 2.94763 -168.82797 1055.59633
2190.0000 -178.32931 -168.81837 9.51095 3.04229 -167.14449 1137.68626
2195.0000 -179.99028 -170.26801 9.72226 2.93589 -169.03675 1062.62317
2200.0000 -180.52364 -169.35059 11.17306 2.86490 -170.29927 1032.52802
2205.0000 -179.91247 -171.21538 8.69709 2.86431 -170.30979 1007.39466
2210.0000 -180.93324 -171.56325 9.36999 2.79201 -171.59551 954.65800
2215.0000 -179.50513 -169.50157 10.00356 2.81998 -171.09822 952.51022
2220.0000 -178.21487 -167.68062 10.53425 2.96919 -168.44453 1071.76387
2225.0000 -177.82624 -167.61552 10.21073 3.08861 -166.32065 1160.05773
2230.0000 -179.13721 -166.94585 12.19136 3.05758 -166.87261 1148.11871
2235.0000 -179.00674 -169.36174 9.64501 2.93369 -169.07587 1047.54987
2240.0000 -178.89933 -168.29541 10.60391 2.93347 -169.07987 1049.19958
2245.0000 -176.64170 -165.83921 10.80249 2.99824 -167.92783 1099.08843
2250.0000 -178.20616 -167.97732 10.22883 2.99002 -168.07413 1072.97928
FREEZING PROCESS: loop number 10 T-loop= 1001.0000000000000
main_MD> interactions number 10 at Temperature= 1001.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.39875 -6.70599 3.56221
force_rgl> df(natom) 1.83497 0.59468 -0.82603
2255.0000 -176.93235 -167.59121 9.34114 3.03767 -167.22671 1072.90116
2260.0000 -181.02593 -171.07735 9.94858 2.91397 -169.42654 1036.49480
2265.0000 -179.72920 -171.10464 8.62456 2.81285 -171.22499 979.95278
2270.0000 -182.00842 -172.68627 9.32215 2.75073 -172.32966 932.98097
2275.0000 -180.18041 -171.37896 8.80145 2.74221 -172.48127 889.40498
2280.0000 -179.86687 -169.19240 10.67447 2.92479 -169.23416 1005.51991
2285.0000 -179.07081 -169.95833 9.11248 2.91945 -169.32919 1004.78965
2290.0000 -179.16928 -170.29522 8.87406 2.86307 -170.33189 998.48054
2295.0000 -180.30704 -170.77880 9.52824 2.86157 -170.35847 993.63422
2300.0000 -180.47470 -171.87627 8.59843 2.78828 -171.66199 943.93946
2305.0000 -180.14665 -170.39801 9.74864 2.82889 -170.93964 975.35923
2310.0000 -178.18039 -166.31320 11.86719 2.97568 -168.32904 1076.92198
2315.0000 -179.95790 -170.24646 9.71144 2.98490 -168.16513 1082.94723
2320.0000 -179.60827 -171.26263 8.34565 2.84277 -170.69280 950.27381
2325.0000 -181.65670 -171.81131 9.84539 2.85385 -170.49574 1013.76375
2330.0000 -181.41196 -171.38207 10.02989 2.75253 -172.29775 939.40890
2335.0000 -181.18855 -171.07371 10.11484 2.81396 -171.20528 995.68843
2340.0000 -178.96562 -170.45367 8.51194 2.89195 -169.81825 1007.75379
2345.0000 -176.92836 -167.83132 9.09705 2.86279 -170.33686 972.52277
2350.0000 -178.71312 -168.97427 9.73885 2.94902 -168.80317 1044.16452
2355.0000 -177.88510 -167.98558 9.89952 2.91715 -169.37003 1008.85795
2360.0000 -178.88772 -168.83193 10.05579 2.97548 -168.33276 1072.62503
2365.0000 -179.43394 -169.08457 10.34937 2.91403 -169.42551 1026.96381
2370.0000 -181.62346 -172.38032 9.24314 2.83436 -170.84246 980.41918
2375.0000 -182.02454 -172.90998 9.11456 2.70745 -173.09947 883.87509
2380.0000 -182.63037 -173.29867 9.33169 2.74408 -172.44800 942.23079
2385.0000 -180.41431 -171.75909 8.65522 2.75862 -172.18937 944.46285
2390.0000 -181.61045 -171.50697 10.10349 2.82704 -170.97259 976.44292
2395.0000 -179.95849 -169.89354 10.06495 2.79272 -171.58298 942.77605
2400.0000 -178.69194 -168.77048 9.92146 2.96276 -168.55883 1063.29136
2405.0000 -180.68447 -171.04421 9.64026 2.84954 -170.57251 1014.14422
2410.0000 -181.12494 -172.73150 8.39344 2.78986 -171.63377 952.88756
2415.0000 -181.22705 -169.69377 11.53328 2.85389 -170.49508 1000.28445
2420.0000 -180.39172 -171.34141 9.05031 2.83947 -170.75156 979.80906
2425.0000 -179.72511 -171.39799 8.32713 2.81468 -171.19243 983.21402
2430.0000 -180.30080 -171.61539 8.68541 2.76986 -171.98947 937.14898
2435.0000 -179.66563 -169.92540 9.74023 2.83142 -170.89466 971.70287
2440.0000 -179.94475 -168.77325 11.17150 2.93938 -168.97467 1054.02858
2445.0000 -180.35895 -169.94165 10.41730 2.88338 -169.97061 1024.24725
2450.0000 -177.86500 -166.87375 10.99125 2.92100 -169.30160 1057.29305
2455.0000 -177.42249 -166.68546 10.73703 3.08396 -166.40337 1155.91490
2460.0000 -176.97649 -167.26264 9.71385 3.09125 -166.27382 1158.63065
2465.0000 -178.52901 -167.84969 10.67933 3.00716 -167.76918 1069.51069
2470.0000 -181.61328 -170.73110 10.88217 2.88232 -169.98946 1003.09721
2475.0000 -179.11158 -168.46443 10.64715 2.87986 -170.03320 1021.82585
2480.0000 -181.50528 -172.31464 9.19064 2.89658 -169.73581 1038.57798
2485.0000 -180.52004 -169.55247 10.96757 2.89713 -169.72601 1012.39418
2490.0000 -179.73759 -169.62330 10.11430 2.91681 -169.37609 1048.64977
2495.0000 -179.06206 -167.62141 11.44065 2.95504 -168.69613 1090.63754
2500.0000 -179.87522 -170.91613 8.95909 2.92903 -169.15878 1039.20714
FREEZING PROCESS: loop number 11 T-loop= 976.00000000000000
main_MD> interactions number 11 at Temperature= 976.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54307 3.47182 -2.33812
force_rgl> df(natom) -2.15815 -2.55167 -3.98731
2505.0000 -181.38140 -171.03143 10.34997 2.84064 -170.73072 1001.22346
2510.0000 -182.05811 -171.44243 10.61568 2.81077 -171.26194 983.43979
2515.0000 -179.89129 -171.35574 8.53555 2.81917 -171.11254 978.75062
2520.0000 -181.02672 -170.56938 10.45734 2.83197 -170.88496 986.27245
2525.0000 -178.80927 -170.35390 8.45537 2.83103 -170.90156 971.35288
2530.0000 -179.31938 -168.93200 10.38738 2.90558 -169.57581 1016.49786
2535.0000 -179.48813 -170.13408 9.35405 2.94106 -168.94488 1046.19100
2540.0000 -180.73620 -171.68680 9.04940 2.85510 -170.47361 1014.97742
2545.0000 -181.89657 -173.25298 8.64359 2.78653 -171.69301 963.22823
2550.0000 -180.83613 -170.76279 10.07335 2.83816 -170.77491 992.59433
2555.0000 -177.80938 -167.76132 10.04807 2.89207 -169.81608 1000.86795
2560.0000 -179.40094 -168.40926 10.99167 3.02906 -167.37980 1117.98481
2565.0000 -179.88831 -169.45099 10.43732 2.96804 -168.46494 1048.05178
2570.0000 -182.00513 -173.35264 8.65249 2.79928 -171.46630 963.03259
2575.0000 -180.66223 -171.81219 8.85003 2.82767 -170.96144 975.59152
2580.0000 -180.78538 -170.58840 10.19698 2.80748 -171.32055 950.39390
2585.0000 -179.44841 -171.60462 7.84379 2.84394 -170.67203 1005.93230
2590.0000 -181.05919 -171.08494 9.97425 2.80404 -171.38159 976.15879
2595.0000 -181.32900 -172.33985 8.98916 2.81238 -171.23340 995.89295
2600.0000 -180.97484 -170.88827 10.08658 2.79104 -171.61279 969.60627
2605.0000 -180.73392 -172.29458 8.43935 2.81259 -171.22962 973.52657
2610.0000 -181.60092 -174.05199 7.54893 2.72789 -172.73587 925.29567
2615.0000 -179.21075 -169.33018 9.88057 2.77151 -171.96023 922.99313
2620.0000 -179.69817 -167.65295 12.04522 2.91295 -169.44473 1035.23783
2625.0000 -180.07547 -171.01595 9.05953 2.87225 -170.16862 1038.88244
2630.0000 -178.44435 -168.46653 9.97783 2.90127 -169.65253 1021.96184
2635.0000 -177.46807 -165.33117 12.13691 3.05431 -166.93073 1111.17389
2640.0000 -181.25940 -169.90659 11.35280 3.02690 -167.41813 1106.41600
2645.0000 -181.15985 -171.73330 9.42655 2.86461 -170.30446 995.93818
2650.0000 -181.27698 -172.73215 8.54482 2.75380 -172.27512 933.75883
2655.0000 -179.28016 -169.00799 10.27217 2.83367 -170.85463 986.90590
2660.0000 -179.55459 -169.38050 10.17409 2.89778 -169.71460 1014.11313
2665.0000 -180.48172 -170.46922 10.01249 2.88783 -169.89152 1032.83908
2670.0000 -178.46633 -168.89583 9.57050 2.91810 -169.35315 1026.08400
2675.0000 -178.94380 -170.14992 8.79387 2.85233 -170.52274 994.67883
2680.0000 -178.72586 -168.85665 9.86921 2.89095 -169.83591 1010.77516
2685.0000 -179.44079 -169.60097 9.83982 2.86711 -170.25995 986.45851
2690.0000 -181.03084 -171.48498 9.54586 2.88519 -169.93838 1026.90531
2695.0000 -180.82971 -171.71689 9.11283 2.80512 -171.36252 962.55339
2700.0000 -180.95032 -172.90697 8.04335 2.72205 -172.83978 872.53848
2705.0000 -181.24665 -173.01909 8.22755 2.72494 -172.78833 870.44814
2710.0000 -180.68556 -171.92898 8.75658 2.73132 -172.67497 916.27088
2715.0000 -180.78144 -172.08875 8.69269 2.75538 -172.24712 913.01632
2720.0000 -181.08570 -172.57898 8.50672 2.75204 -172.30651 928.55413
2725.0000 -180.41876 -170.58155 9.83722 2.76174 -172.13395 927.90254
2730.0000 -179.18020 -168.20074 10.97946 2.87759 -170.07364 986.10694
2735.0000 -178.99845 -169.05944 9.93901 2.97625 -168.31891 1080.80177
2740.0000 -178.82974 -169.25970 9.57004 2.94977 -168.78992 1024.65637
2745.0000 -181.16968 -171.20231 9.96737 2.85177 -170.53284 991.73279
2750.0000 -181.10720 -172.69182 8.41538 2.78393 -171.73929 940.28074
FREEZING PROCESS: loop number 12 T-loop= 951.00000000000000
main_MD> interactions number 12 at Temperature= 951.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.89620 1.92560 -0.23874
force_rgl> df(natom) -6.93386 -1.38390 -0.23615
2755.0000 -180.92727 -172.23353 8.69375 2.77071 -171.97434 937.04492
2760.0000 -179.59372 -170.86328 8.73044 2.77138 -171.96240 933.94530
2765.0000 -179.09249 -169.49311 9.59938 2.88807 -169.88721 1008.61036
2770.0000 -180.53815 -171.47703 9.06112 2.87148 -170.18235 995.50552
2775.0000 -179.90428 -170.47793 9.42634 2.77395 -171.91672 927.38501
2780.0000 -180.71197 -170.59230 10.11967 2.87556 -170.10972 994.13613
2785.0000 -181.16574 -172.96568 8.20007 2.78774 -171.67156 954.03689
2790.0000 -181.21238 -171.96708 9.24530 2.71309 -172.99914 902.98201
2795.0000 -182.30160 -173.87211 8.42950 2.71222 -173.01457 945.37750
2800.0000 -183.49879 -174.63944 8.85934 2.65779 -173.98269 882.88796
2805.0000 -181.29006 -172.51742 8.77264 2.67629 -173.65362 870.07883
2810.0000 -179.91394 -170.54829 9.36565 2.81290 -171.22407 976.87730
2815.0000 -180.04480 -170.21856 9.82624 2.77004 -171.98625 912.64979
2820.0000 -181.65211 -171.42013 10.23199 2.84217 -170.70346 975.61066
2825.0000 -180.29221 -171.00733 9.28488 2.83897 -170.76045 988.65697
2830.0000 -180.15700 -169.56970 10.58731 2.86529 -170.29240 970.82627
2835.0000 -179.37736 -169.65537 9.72200 2.90611 -169.56641 1033.99759
2840.0000 -179.42698 -169.88153 9.54546 2.85554 -170.46579 997.55258
2845.0000 -180.13754 -171.46394 8.67360 2.84046 -170.73394 1008.72784
2850.0000 -181.60520 -172.18391 9.42129 2.82350 -171.03554 971.27454
2855.0000 -178.78754 -168.83505 9.95249 2.85815 -170.41933 1013.50933
2860.0000 -178.78854 -168.97777 9.81077 3.01128 -167.69596 1074.96274
2865.0000 -181.18140 -170.44749 10.73391 2.91898 -169.33747 1045.03078
2870.0000 -179.23822 -170.07874 9.15949 2.85057 -170.55414 990.35119
2875.0000 -179.47925 -169.06358 10.41566 2.87308 -170.15387 996.41108
2880.0000 -179.93485 -170.98201 8.95284 2.91705 -169.37185 1031.27497
2885.0000 -180.89188 -172.16141 8.73047 2.77881 -171.83035 936.20503
2890.0000 -180.35307 -170.75864 9.59442 2.72998 -172.69874 914.74407
2895.0000 -180.88837 -171.15703 9.73134 2.80354 -171.39059 991.67603
2900.0000 -180.64835 -170.86731 9.78104 2.80674 -171.33371 941.47806
2905.0000 -182.98640 -175.13447 7.85194 2.71770 -172.91721 911.13344
2910.0000 -181.74697 -173.89866 7.84830 2.62815 -174.50977 837.78697
2915.0000 -181.12372 -171.60834 9.51539 2.80765 -171.31745 983.24650
2920.0000 -182.48083 -172.65390 9.82693 2.77994 -171.81024 975.94402
2925.0000 -180.13833 -172.03840 8.09993 2.70207 -173.19520 900.62364
2930.0000 -181.29685 -171.47237 9.82448 2.75502 -172.25348 929.33652
2935.0000 -180.78543 -170.88823 9.89721 2.80304 -171.39935 960.57710
2940.0000 -178.15147 -170.29045 7.86102 2.83957 -170.74968 1013.19841
2945.0000 -181.10591 -172.61507 8.49085 2.76909 -172.00320 929.41875
2950.0000 -180.06548 -172.50413 7.56135 2.77671 -171.86763 943.49976
2955.0000 -180.83439 -171.17085 9.66354 2.75760 -172.20748 926.72868
2960.0000 -179.35854 -169.22362 10.13492 2.87408 -170.13597 996.24376
2965.0000 -178.75122 -169.23878 9.51244 2.90698 -169.55089 1028.36416
2970.0000 -180.17138 -171.53241 8.63897 2.85057 -170.55406 984.43319
2975.0000 -181.84480 -173.82600 8.01880 2.72608 -172.76820 909.40438
2980.0000 -182.98687 -173.84621 9.14066 2.65801 -173.97868 881.75506
2985.0000 -183.46082 -174.68738 8.77344 2.65647 -174.00602 899.17756
2990.0000 -182.01852 -174.20142 7.81710 2.63457 -174.39565 864.33751
2995.0000 -180.93271 -171.11072 9.82199 2.77337 -171.92711 941.32600
3000.0000 -179.15868 -170.41487 8.74381 2.84314 -170.68628 998.68988
FREEZING PROCESS: loop number 13 T-loop= 926.00000000000000
main_MD> interactions number 13 at Temperature= 926.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.92867 -1.04443 0.07801
force_rgl> df(natom) 2.32714 0.68722 -1.33928
3005.0000 -180.52945 -172.63521 7.89424 2.79230 -171.59044 934.23093
3010.0000 -179.57553 -170.72018 8.85535 2.82998 -170.92033 986.20102
3015.0000 -178.24954 -169.65941 8.59013 2.87564 -170.10833 980.58858
3020.0000 -179.93604 -171.36252 8.57352 2.86139 -170.36166 1004.12813
3025.0000 -179.78980 -169.62519 10.16461 2.84946 -170.57387 1006.53926
3030.0000 -178.14532 -168.59620 9.54911 2.96745 -168.47555 1045.39772
3035.0000 -181.21748 -171.64937 9.56810 2.89901 -169.69260 1004.29261
3040.0000 -180.77324 -171.96175 8.81150 2.79811 -171.48713 953.25260
3045.0000 -181.02536 -171.63493 9.39043 2.74330 -172.46195 918.85025
3050.0000 -180.25149 -172.09904 8.15244 2.74126 -172.49822 933.33423
3055.0000 -182.46386 -172.38284 10.08102 2.73390 -172.62902 885.32041
3060.0000 -181.56679 -172.74842 8.81837 2.72479 -172.79103 914.52911
3065.0000 -183.59079 -174.37245 9.21834 2.66389 -173.87422 868.34468
3070.0000 -180.71060 -172.51536 8.19524 2.72607 -172.76824 915.64323
3075.0000 -179.75782 -171.88017 7.87765 2.80640 -171.33959 972.36040
3080.0000 -181.57235 -171.59210 9.98025 2.81191 -171.24163 960.16621
3085.0000 -183.00124 -173.37401 9.62723 2.76285 -172.11411 943.64590
3090.0000 -181.24071 -172.83489 8.40583 2.68238 -173.54530 881.21091
3095.0000 -181.62495 -172.60076 9.02419 2.77000 -171.98695 906.82505
3100.0000 -179.38758 -170.09285 9.29473 2.77597 -171.88090 945.48395
3105.0000 -181.21283 -172.20885 9.00398 2.81122 -171.25391 952.81222
3110.0000 -180.98551 -171.08696 9.89854 2.74113 -172.50046 937.55413
3115.0000 -179.35347 -169.14435 10.20913 2.82254 -171.05272 992.99111
3120.0000 -180.92879 -171.69480 9.23398 2.81898 -171.11601 948.52160
3125.0000 -182.13972 -174.64131 7.49841 2.72197 -172.84116 892.14373
3130.0000 -180.75538 -172.96674 7.78864 2.68328 -173.52925 918.27201
3135.0000 -180.53008 -171.53313 8.99696 2.78113 -171.78905 971.05673
3140.0000 -181.82645 -172.65694 9.16951 2.71138 -173.02951 912.39507
3145.0000 -182.29882 -173.23023 9.06860 2.72201 -172.84048 940.38898
3150.0000 -179.72598 -171.39212 8.33386 2.71777 -172.91586 916.11125
3155.0000 -179.82773 -171.79566 8.03207 2.79573 -171.52941 947.68263
3160.0000 -182.84763 -173.94345 8.90418 2.69415 -173.33591 897.69286
3165.0000 -181.37731 -172.39461 8.98270 2.70952 -173.06266 911.02919
3170.0000 -181.12708 -172.33296 8.79412 2.75867 -172.18860 945.10083
3175.0000 -181.18237 -172.24005 8.94232 2.75038 -172.33589 877.32717
3180.0000 -180.54419 -170.72342 9.82077 2.81333 -171.21646 962.55511
3185.0000 -181.07585 -172.47384 8.60201 2.77753 -171.85309 923.83090
3190.0000 -180.72108 -171.98016 8.74093 2.83432 -170.84321 958.14054
3195.0000 -181.16304 -172.12912 9.03392 2.75111 -172.32296 911.45628
3200.0000 -180.57548 -172.27583 8.29964 2.76738 -172.03356 947.58328
3205.0000 -179.39290 -171.54072 7.85218 2.75994 -172.16599 936.57484
3210.0000 -180.71919 -171.96824 8.75095 2.76050 -172.15600 957.16073
3215.0000 -179.10857 -171.02882 8.07975 2.80563 -171.35343 943.30544
3220.0000 -180.83987 -170.97460 9.86527 2.83743 -170.78778 971.00216
3225.0000 -181.18971 -170.59031 10.59939 2.83575 -170.81762 993.91541
3230.0000 -180.78657 -170.70526 10.08131 2.79734 -171.50081 963.96052
3235.0000 -181.88476 -172.12163 9.76313 2.85645 -170.44955 1005.91486
3240.0000 -182.93347 -173.34692 9.58655 2.71756 -172.91963 909.29786
3245.0000 -181.92997 -172.77267 9.15730 2.72535 -172.78110 920.78106
3250.0000 -182.49932 -174.12960 8.36973 2.68038 -173.58085 889.75601
FREEZING PROCESS: loop number 14 T-loop= 901.00000000000000
main_MD> interactions number 14 at Temperature= 901.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10946 -1.67954 -2.90707
force_rgl> df(natom) -0.98634 -0.97411 -1.50090
3255.0000 -183.23686 -175.84456 7.39230 2.63403 -174.40517 859.44505
3260.0000 -183.61564 -174.40611 9.20954 2.59441 -175.10986 807.74491
3265.0000 -180.94331 -172.67387 8.26944 2.68651 -173.47189 879.16806
3270.0000 -179.88768 -171.21048 8.67720 2.78702 -171.68440 935.00703
3275.0000 -180.60526 -172.49189 8.11337 2.78320 -171.75223 931.76496
3280.0000 -180.80841 -171.61054 9.19787 2.70841 -173.08239 892.95757
3285.0000 -179.97414 -171.41850 8.55564 2.75890 -172.18444 945.50247
3290.0000 -181.10827 -171.88212 9.22616 2.77811 -171.84276 943.88045
3295.0000 -182.76840 -174.20653 8.56187 2.74619 -172.41054 918.19820
3300.0000 -182.93865 -174.87907 8.05958 2.63903 -174.31618 874.14116
3305.0000 -182.50172 -173.22500 9.27672 2.63990 -174.30080 845.35483
3310.0000 -182.43909 -174.24735 8.19175 2.70595 -173.12614 905.98213
3315.0000 -183.45731 -174.31830 9.13901 2.67884 -173.60818 900.99365
3320.0000 -182.01258 -173.67116 8.34142 2.64983 -174.12414 875.95622
3325.0000 -181.42532 -172.34446 9.08086 2.72963 -172.70507 891.89777
3330.0000 -182.13609 -172.52705 9.60905 2.73958 -172.52807 914.76531
3335.0000 -181.51057 -173.82554 7.68503 2.69524 -173.31667 870.37940
3340.0000 -184.66247 -175.92397 8.73850 2.62353 -174.59201 834.63086
3345.0000 -183.87340 -174.99814 8.87527 2.59059 -175.17771 831.11673
3350.0000 -182.93603 -174.00193 8.93409 2.63117 -174.45597 852.78184
3355.0000 -181.96985 -172.20483 9.76502 2.70387 -173.16311 900.23530
3360.0000 -182.30606 -172.69536 9.61070 2.74046 -172.51238 918.99478
3365.0000 -182.77570 -174.09834 8.67736 2.69560 -173.31023 907.96731
3370.0000 -181.48260 -173.54896 7.93364 2.67647 -173.65049 879.54882
3375.0000 -183.05656 -173.69048 9.36608 2.73682 -172.57720 926.62761
3380.0000 -181.34823 -172.52101 8.82722 2.68967 -173.41561 894.58458
3385.0000 -183.27002 -173.25321 10.01681 2.71261 -173.00776 913.69128
3390.0000 -181.89888 -173.27364 8.62524 2.66707 -173.81758 894.00315
3395.0000 -182.40045 -173.32708 9.07337 2.68799 -173.44557 899.18139
3400.0000 -181.86542 -172.89015 8.97526 2.68988 -173.41197 911.76629
3405.0000 -180.58073 -172.89741 7.68332 2.69208 -173.37279 881.01916
3410.0000 -180.95176 -173.22215 7.72961 2.68962 -173.41651 880.35157
3415.0000 -180.05097 -172.20804 7.84294 2.74834 -172.37218 920.61874
3420.0000 -180.34732 -171.95368 8.39364 2.73622 -172.58776 929.25637
3425.0000 -180.99334 -171.01438 9.97896 2.78451 -171.72893 954.54430
3430.0000 -182.19449 -172.06545 10.12904 2.78397 -171.73856 948.86979
3435.0000 -179.16750 -170.38443 8.78307 2.81543 -171.17909 968.52626
3440.0000 -181.83619 -173.07344 8.76274 2.77942 -171.81957 956.13821
3445.0000 -179.35132 -170.84957 8.50175 2.71737 -172.92299 909.43049
3450.0000 -182.58460 -174.15193 8.43267 2.71483 -172.96821 896.68938
3455.0000 -182.53681 -172.35157 10.18524 2.68425 -173.51203 872.25189
3460.0000 -181.52400 -171.91636 9.60764 2.72330 -172.81759 897.11116
3465.0000 -181.31775 -171.79845 9.51930 2.75033 -172.33690 919.44805
3470.0000 -181.42516 -173.06463 8.36053 2.72890 -172.71804 915.03955
3475.0000 -180.32107 -172.51141 7.80966 2.72217 -172.83758 921.32864
3480.0000 -181.58500 -172.69423 8.89078 2.74778 -172.38227 923.98511
3485.0000 -181.01734 -173.26498 7.75236 2.72753 -172.74230 917.01650
3490.0000 -181.83726 -173.94438 7.89289 2.69673 -173.29006 881.71839
3495.0000 -182.53785 -174.09220 8.44565 2.67239 -173.72301 857.38632
3500.0000 -181.86011 -172.65971 9.20039 2.67955 -173.59557 884.40779
FREEZING PROCESS: loop number 15 T-loop= 876.00000000000000
main_MD> interactions number 15 at Temperature= 876.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.94178 2.76496 1.13815
force_rgl> df(natom) 1.61986 1.32845 -1.87740
3505.0000 -183.68524 -176.08605 7.59920 2.61964 -174.66117 854.55756
3510.0000 -183.35139 -174.49663 8.85476 2.58527 -175.27238 821.92609
3515.0000 -183.37788 -175.16256 8.21532 2.59616 -175.07862 819.46604
3520.0000 -183.34912 -173.69908 9.65004 2.64751 -174.16549 866.09937
3525.0000 -182.02969 -173.48939 8.54029 2.74728 -172.39101 946.60481
3530.0000 -182.28605 -173.58878 8.69727 2.73542 -172.60204 930.62127
3535.0000 -182.34035 -173.88769 8.45266 2.65918 -173.95795 856.24972
3540.0000 -182.51561 -173.35269 9.16292 2.62450 -174.57462 848.25684
3545.0000 -180.86218 -172.12747 8.73471 2.73823 -172.55197 919.15439
3550.0000 -180.18551 -170.98214 9.20338 2.82373 -171.03155 965.05450
3555.0000 -180.55498 -172.07731 8.47767 2.76457 -172.08363 947.64845
3560.0000 -181.99074 -173.71095 8.27979 2.73834 -172.55010 919.29154
3565.0000 -182.36200 -173.10027 9.26172 2.65628 -174.00939 862.80969
3570.0000 -183.15833 -173.58983 9.56850 2.73012 -172.69623 899.71417
3575.0000 -181.56600 -172.70323 8.86277 2.74189 -172.48702 913.09832
3580.0000 -181.47629 -172.94788 8.52840 2.71322 -172.99688 893.78390
3585.0000 -183.01809 -173.41585 9.60224 2.71519 -172.96185 892.11658
3590.0000 -181.87033 -172.91649 8.95385 2.75594 -172.23705 948.96682
3595.0000 -184.33829 -173.58956 10.74872 2.69729 -173.28013 906.21545
3600.0000 -181.76467 -173.64263 8.12205 2.68564 -173.48724 873.39043
3605.0000 -183.62612 -174.91885 8.70726 2.69772 -173.27254 874.93388
3610.0000 -180.50849 -170.85756 9.65092 2.70308 -173.17716 891.72416
3615.0000 -182.36161 -174.10338 8.25823 2.76497 -172.07641 933.99428
3620.0000 -182.50163 -174.42908 8.07255 2.64358 -174.23541 858.28622
3625.0000 -182.17030 -173.87577 8.29453 2.60984 -174.83535 828.55163
3630.0000 -183.35248 -175.22583 8.12666 2.62732 -174.52453 825.01899
3635.0000 -181.99620 -173.88267 8.11353 2.62272 -174.60637 845.18289
3640.0000 -182.27065 -173.86505 8.40560 2.67146 -173.73946 883.51687
3645.0000 -183.91245 -174.42006 9.49238 2.67543 -173.66898 888.11770
3650.0000 -181.86705 -173.35592 8.51113 2.65650 -174.00559 884.47251
3655.0000 -183.39433 -174.23182 9.16252 2.66542 -173.84692 907.20416
3660.0000 -183.25048 -174.13480 9.11568 2.61051 -174.82342 850.22719
3665.0000 -182.00429 -173.70070 8.30359 2.63932 -174.31103 867.54333
3670.0000 -180.85491 -172.15045 8.70446 2.70312 -173.17640 916.61663
3675.0000 -181.68802 -173.83831 7.84971 2.69534 -173.31490 904.37739
3680.0000 -181.52855 -173.29372 8.23483 2.66886 -173.78572 880.30248
3685.0000 -183.64970 -175.64701 8.00269 2.62177 -174.62329 855.18742
3690.0000 -183.06842 -175.84302 7.22539 2.57069 -175.53160 798.41856
3695.0000 -182.55021 -175.11980 7.43041 2.59556 -175.08932 845.85948
3700.0000 -184.56970 -177.07212 7.49758 2.52940 -176.26599 781.04824
3705.0000 -183.22250 -175.31553 7.90697 2.47669 -177.20331 746.06962
3710.0000 -182.89635 -175.31898 7.57737 2.62172 -174.62406 833.79429
3715.0000 -182.71320 -173.39434 9.31886 2.66825 -173.79655 865.98618
3720.0000 -179.37985 -171.01131 8.36854 2.74502 -172.43133 921.09910
3725.0000 -182.09068 -172.33010 9.76058 2.82274 -171.04901 975.57008
3730.0000 -183.45906 -173.08335 10.37571 2.72034 -172.87017 913.48531
3735.0000 -183.67823 -174.64523 9.03300 2.62612 -174.54583 851.55594
3740.0000 -183.61684 -175.40284 8.21400 2.58438 -175.28811 829.92250
3745.0000 -182.36939 -174.20580 8.16358 2.65293 -174.06898 854.10946
3750.0000 -180.66043 -171.88809 8.77234 2.71814 -172.90927 897.30887
FREEZING PROCESS: loop number 16 T-loop= 851.00000000000000
main_MD> interactions number 16 at Temperature= 851.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.47677 -0.81604 0.37163
force_rgl> df(natom) 2.61806 5.91728 -0.84281
3755.0000 -181.97076 -173.08806 8.88270 2.79295 -171.57881 948.93614
3760.0000 -183.82442 -175.39774 8.42668 2.67309 -173.71054 840.86460
3765.0000 -182.76726 -174.34975 8.41750 2.58686 -175.24400 830.03034
3770.0000 -181.63258 -173.93830 7.69428 2.65999 -173.94346 875.44508
3775.0000 -184.24389 -175.50651 8.73738 2.65267 -174.07369 875.09803
3780.0000 -183.13151 -175.77625 7.35526 2.59393 -175.11836 827.11640
3785.0000 -183.99266 -175.87323 8.11943 2.54911 -175.91538 804.75501
3790.0000 -185.68104 -177.49477 8.18628 2.53402 -176.18389 780.20269
3795.0000 -182.58726 -176.13627 6.45099 2.50459 -176.70727 765.44350
3800.0000 -182.49077 -174.77122 7.71955 2.64961 -174.12817 867.68148
3805.0000 -182.16989 -174.29709 7.87280 2.61755 -174.69833 838.23890
3810.0000 -182.34881 -174.68876 7.66005 2.65414 -174.04752 853.08707
3815.0000 -181.88207 -172.87420 9.00788 2.72598 -172.76990 911.65268
3820.0000 -181.23452 -172.14289 9.09163 2.69933 -173.24378 861.67335
3825.0000 -183.06379 -175.64322 7.42057 2.64733 -174.16858 874.80387
3830.0000 -182.55514 -174.28332 8.27182 2.59816 -175.04303 824.52130
3835.0000 -181.91641 -173.47680 8.43961 2.62400 -174.58356 851.83724
3840.0000 -181.61846 -173.46762 8.15084 2.70517 -173.13998 899.72915
3845.0000 -182.90399 -174.45447 8.44952 2.70014 -173.22937 877.17797
3850.0000 -183.11205 -174.93839 8.17366 2.63832 -174.32892 852.17974
3855.0000 -181.81686 -173.14355 8.67331 2.59627 -175.07667 826.68187
3860.0000 -182.97557 -175.10874 7.86682 2.66927 -173.77841 864.67239
3865.0000 -184.06004 -176.06686 7.99318 2.58003 -175.36547 818.51465
3870.0000 -183.51341 -174.29713 9.21628 2.57455 -175.46301 830.14978
3875.0000 -182.95542 -174.25766 8.69776 2.66508 -173.85302 842.78341
3880.0000 -181.17389 -172.89141 8.28247 2.65830 -173.97359 861.88292
3885.0000 -181.94283 -173.39201 8.55082 2.73737 -172.56734 927.53034
3890.0000 -182.84263 -173.35039 9.49224 2.69573 -173.30791 893.30906
3895.0000 -181.37744 -172.60553 8.77190 2.71206 -173.01744 903.30522
3900.0000 -182.37885 -173.75026 8.62860 2.66126 -173.92095 853.95322
3905.0000 -183.82552 -175.44955 8.37598 2.65231 -174.08000 863.92811
3910.0000 -184.16683 -176.52241 7.64442 2.50022 -176.78494 763.08648
3915.0000 -182.09624 -174.60821 7.48803 2.61871 -174.67764 852.92218
3920.0000 -182.92409 -175.29269 7.63140 2.63358 -174.41314 834.24526
3925.0000 -183.18298 -176.43189 6.75108 2.54055 -176.06766 764.34160
3930.0000 -183.50653 -176.46820 7.03833 2.53674 -176.13551 781.08684
3935.0000 -183.31922 -176.37117 6.94805 2.54700 -175.95296 775.10299
3940.0000 -181.71800 -173.12888 8.58912 2.55912 -175.73747 827.87558
3945.0000 -181.38943 -172.21380 9.17563 2.74300 -172.46718 907.73078
3950.0000 -183.10378 -172.91973 10.18405 2.74326 -172.46259 915.50577
3955.0000 -183.04810 -173.83908 9.20902 2.65961 -173.95031 875.05495
3960.0000 -182.48302 -175.38129 7.10173 2.58756 -175.23155 822.94732
3965.0000 -182.12735 -174.06287 8.06448 2.59655 -175.07181 814.53354
3970.0000 -182.88122 -173.91780 8.96342 2.65175 -174.09007 877.65626
3975.0000 -182.31042 -172.85235 9.45807 2.65796 -173.97952 840.75642
3980.0000 -180.59619 -171.85822 8.73797 2.74906 -172.35939 903.44240
3985.0000 -181.97009 -172.67687 9.29322 2.74512 -172.42947 940.05522
3990.0000 -182.09328 -172.62541 9.46787 2.73969 -172.52615 917.42083
3995.0000 -181.77369 -172.53818 9.23551 2.77616 -171.87755 976.38595
4000.0000 -181.28962 -172.24778 9.04184 2.73422 -172.62342 918.77765
FREEZING PROCESS: loop number 17 T-loop= 826.00000000000000
main_MD> interactions number 17 at Temperature= 826.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27804 -0.21847 -1.09296
force_rgl> df(natom) -1.53432 1.31455 -1.36183
4005.0000 -182.12980 -173.71684 8.41297 2.71848 -172.90325 907.61109
4010.0000 -182.45660 -172.96376 9.49284 2.68770 -173.45071 896.19810
4015.0000 -181.84567 -173.37793 8.46774 2.70608 -173.12385 901.74661
4020.0000 -180.32079 -172.02304 8.29775 2.75970 -172.17016 924.75158
4025.0000 -180.34534 -172.98642 7.35891 2.72077 -172.86254 896.03777
4030.0000 -182.47757 -174.52440 7.95317 2.66613 -173.83438 858.61795
4035.0000 -182.35869 -174.33940 8.01929 2.63320 -174.41985 863.54633
4040.0000 -182.77351 -175.20871 7.56480 2.66202 -173.90732 874.48254
4045.0000 -183.70005 -175.76724 7.93281 2.59275 -175.13931 831.17968
4050.0000 -183.94829 -175.68533 8.26296 2.56997 -175.54447 824.72767
4055.0000 -183.71628 -175.94364 7.77265 2.52668 -176.31440 774.98410
4060.0000 -182.62865 -174.36810 8.26054 2.59206 -175.15157 817.21183
4065.0000 -184.20910 -175.98600 8.22310 2.55104 -175.88117 812.37709
4070.0000 -183.71199 -176.70365 7.00833 2.53384 -176.18709 777.76404
4075.0000 -184.64024 -176.96342 7.67682 2.47792 -177.18156 761.73913
4080.0000 -184.04906 -175.36588 8.68318 2.53701 -176.13071 822.51450
4085.0000 -185.13085 -176.23539 8.89546 2.56075 -175.70842 825.63949
4090.0000 -184.41786 -177.54571 6.87215 2.50766 -176.65268 787.34494
4095.0000 -183.10696 -174.35636 8.75060 2.60588 -174.90585 847.99656
4100.0000 -183.47239 -176.06308 7.40931 2.61013 -174.83016 815.33334
4105.0000 -183.61890 -175.85700 7.76191 2.54855 -175.92547 808.09631
4110.0000 -183.65531 -176.20633 7.44898 2.55670 -175.78041 782.72679
4115.0000 -183.65447 -175.56761 8.08686 2.58157 -175.33817 809.31764
4120.0000 -182.71250 -174.82098 7.89152 2.57652 -175.42801 815.54675
4125.0000 -183.43557 -176.99577 6.43981 2.59935 -175.02187 843.76546
4130.0000 -184.08101 -176.62224 7.45876 2.53939 -176.08837 791.46702
4135.0000 -184.65768 -177.62324 7.03444 2.47493 -177.23474 790.73739
4140.0000 -183.27707 -174.75667 8.52040 2.54268 -176.02982 806.32748
4145.0000 -182.67165 -175.11521 7.55643 2.57922 -175.37992 842.87738
4150.0000 -182.69914 -174.34104 8.35810 2.66034 -173.93727 885.87349
4155.0000 -183.61608 -174.49136 9.12473 2.61650 -174.71688 834.09575
4160.0000 -184.57077 -176.91263 7.65814 2.58699 -175.24183 818.44712
4165.0000 -185.31958 -177.13723 8.18234 2.47998 -177.14485 769.04376
4170.0000 -183.66836 -175.42479 8.24357 2.49223 -176.92696 775.20638
4175.0000 -182.39577 -174.82412 7.57165 2.52758 -176.29839 772.58076
4180.0000 -182.64805 -172.97927 9.66878 2.66749 -173.81011 881.94389
4185.0000 -182.59755 -174.04378 8.55376 2.67613 -173.65646 862.36005
4190.0000 -183.40928 -175.04061 8.36867 2.61455 -174.75161 861.82708
4195.0000 -182.35058 -174.61434 7.73624 2.58130 -175.34302 841.52720
4200.0000 -183.44782 -174.02123 9.42660 2.61725 -174.70359 841.77029
4205.0000 -182.11037 -172.63610 9.47427 2.67826 -173.61866 866.74836
4210.0000 -181.52041 -172.33212 9.18829 2.75983 -172.16795 913.20604
4215.0000 -183.24566 -176.51061 6.73504 2.65949 -173.95234 835.17103
4220.0000 -184.60741 -177.48942 7.11799 2.52765 -176.29716 766.95610
4225.0000 -185.40902 -176.49357 8.91544 2.54499 -175.98864 794.07750
4230.0000 -183.51359 -175.43796 8.07563 2.56128 -175.69907 800.96415
4235.0000 -184.48325 -176.42851 8.05474 2.51861 -176.45795 792.39253
4240.0000 -185.22315 -177.59518 7.62797 2.47447 -177.24295 758.47534
4245.0000 -183.03104 -174.92001 8.11104 2.53685 -176.13355 807.48249
4250.0000 -183.28375 -175.56269 7.72106 2.58945 -175.19793 830.11086
FREEZING PROCESS: loop number 18 T-loop= 801.00000000000000
main_MD> interactions number 18 at Temperature= 801.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.25835 -0.53670 -3.16440
force_rgl> df(natom) -8.23115 2.82752 0.23482
4255.0000 -182.14034 -173.64422 8.49612 2.57075 -175.53058 811.74150
4260.0000 -182.31218 -174.41969 7.89249 2.66205 -173.90691 874.67888
4265.0000 -183.71998 -174.64310 9.07688 2.63709 -174.35078 854.10159
4270.0000 -184.20840 -175.90690 8.30151 2.56803 -175.57896 810.98575
4275.0000 -184.56298 -177.67291 6.89007 2.51515 -176.51942 756.37373
4280.0000 -183.76799 -174.89692 8.87107 2.49971 -176.79398 773.97230
4285.0000 -184.28305 -175.80550 8.47755 2.55866 -175.74559 798.46734
4290.0000 -184.49637 -176.04388 8.45249 2.56350 -175.65958 806.76415
4295.0000 -182.81816 -174.80920 8.00896 2.54311 -176.02211 809.02161
4300.0000 -184.11779 -177.54862 6.56917 2.54235 -176.03561 784.54290
4305.0000 -185.17712 -177.45737 7.71975 2.44416 -177.78191 744.64629
4310.0000 -183.39886 -175.90980 7.48906 2.50186 -176.75584 759.14637
4315.0000 -184.01830 -175.41513 8.60317 2.59869 -175.03365 820.76750
4320.0000 -183.56758 -175.40219 8.16539 2.58938 -175.19918 830.14542
4325.0000 -183.73053 -175.17340 8.55713 2.53264 -176.20843 799.79281
4330.0000 -183.89351 -175.66201 8.23151 2.57030 -175.53852 825.57926
4335.0000 -184.19467 -177.45367 6.74100 2.52842 -176.28343 786.25366
4340.0000 -182.51087 -176.05214 6.45873 2.51034 -176.60496 766.16184
4345.0000 -185.49411 -177.17561 8.31850 2.48012 -177.14231 781.66136
4350.0000 -182.50099 -175.06021 7.44078 2.55385 -175.83117 785.99211
4355.0000 -185.08666 -177.39579 7.69088 2.54563 -175.97725 787.59067
4360.0000 -183.54433 -175.59061 7.95372 2.52807 -176.28965 771.71182
4365.0000 -182.22711 -176.02194 6.20518 2.58600 -175.25932 796.20573
4370.0000 -183.27564 -174.84891 8.42673 2.55842 -175.74987 820.18070
4375.0000 -183.82374 -175.74725 8.07649 2.55489 -175.81269 814.40239
4380.0000 -183.52552 -175.97872 7.54680 2.53840 -176.10586 792.55863
4385.0000 -183.10440 -176.12827 6.97613 2.55324 -175.84204 791.35485
4390.0000 -183.59368 -175.98574 7.60794 2.49283 -176.91641 749.85604
4395.0000 -183.41838 -174.79500 8.62338 2.61110 -174.81306 854.72636
4400.0000 -184.48521 -176.41614 8.06907 2.56432 -175.64498 800.17695
4405.0000 -183.50062 -174.99716 8.50347 2.56282 -175.67166 813.11715
4410.0000 -183.26561 -175.80660 7.45901 2.56058 -175.71136 803.71046
4415.0000 -183.26205 -176.51031 6.75174 2.53547 -176.15801 753.52527
4420.0000 -185.06346 -176.91170 8.15176 2.46551 -177.40220 746.98835
4425.0000 -183.64175 -177.07061 6.57114 2.48802 -177.00192 739.62094
4430.0000 -184.18468 -176.59488 7.58980 2.48401 -177.07323 761.36544
4435.0000 -184.14439 -175.74217 8.40222 2.53006 -176.25417 788.48975
4440.0000 -182.69989 -174.50084 8.19906 2.60214 -174.97234 840.10411
4445.0000 -183.06331 -174.13020 8.93310 2.62048 -174.64609 840.70076
4450.0000 -184.32215 -175.90416 8.41800 2.58865 -175.21224 837.84393
4455.0000 -184.68767 -176.50026 8.18741 2.52799 -176.29099 783.35688
4460.0000 -184.04384 -176.28443 7.75941 2.52940 -176.26593 787.21954
4465.0000 -184.22426 -176.95946 7.26480 2.48852 -176.99298 755.56650
4470.0000 -184.66671 -177.66439 7.00232 2.43352 -177.97108 710.52521
4475.0000 -184.72417 -177.04423 7.67993 2.46410 -177.42725 745.17263
4480.0000 -182.83529 -174.22043 8.61486 2.59398 -175.11737 808.32759
4485.0000 -182.20419 -174.67736 7.52682 2.66518 -173.85125 872.08880
4490.0000 -182.30424 -173.72645 8.57779 2.65892 -173.96250 871.58277
4495.0000 -182.76624 -174.83997 7.92628 2.63579 -174.37393 855.99520
4500.0000 -183.69484 -175.82457 7.87028 2.60422 -174.93526 815.71572
FREEZING PROCESS: loop number 19 T-loop= 776.00000000000000
main_MD> interactions number 19 at Temperature= 776.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77499 3.65135 -2.74411
force_rgl> df(natom) 4.32818 -0.45485 0.26011
4505.0000 -184.69833 -176.67961 8.01873 2.52480 -176.34781 774.87696
4510.0000 -182.97913 -174.58985 8.38928 2.55055 -175.88975 805.46007
4515.0000 -184.77886 -175.96542 8.81345 2.60179 -174.97861 841.95607
4520.0000 -184.23341 -176.62768 7.60573 2.50581 -176.68549 768.75034
4525.0000 -183.22739 -175.48083 7.74656 2.51193 -176.57659 746.07461
4530.0000 -182.92883 -175.31519 7.61364 2.57915 -175.38125 828.93316
4535.0000 -185.15072 -176.70625 8.44447 2.56706 -175.59625 780.05473
4540.0000 -184.88763 -176.63925 8.24837 2.53417 -176.18121 792.38139
4545.0000 -183.46235 -175.08247 8.37988 2.60495 -174.92241 823.90337
4550.0000 -183.19082 -175.62357 7.56725 2.57824 -175.39729 840.05274
4555.0000 -182.62438 -176.53251 6.09188 2.52285 -176.38239 762.47563
4560.0000 -182.63082 -175.68924 6.94159 2.55310 -175.84443 804.37773
4565.0000 -183.17043 -176.94412 6.22631 2.52841 -176.28349 798.62935
4570.0000 -183.85362 -176.61733 7.23629 2.51433 -176.53404 768.43736
4575.0000 -183.93737 -176.18269 7.75468 2.53053 -176.24585 774.23439
4580.0000 -183.72798 -177.08728 6.64070 2.51680 -176.48999 771.55370
4585.0000 -184.17812 -174.15473 10.02339 2.55630 -175.78750 809.73728
4590.0000 -185.13507 -177.32935 7.80572 2.53658 -176.13827 814.53833
4595.0000 -183.05134 -176.00775 7.04358 2.50912 -176.62670 770.86837
4600.0000 -183.06811 -175.29950 7.76861 2.60105 -174.99178 820.88671
4605.0000 -182.96909 -174.80284 8.16624 2.64412 -174.22575 848.28457
4610.0000 -184.38295 -177.93910 6.44386 2.50830 -176.64115 753.04474
4615.0000 -182.47355 -175.08170 7.39185 2.55225 -175.85968 795.87651
4620.0000 -183.08227 -175.25720 7.82507 2.58303 -175.31215 807.19178
4625.0000 -184.24531 -176.08587 8.15944 2.58459 -175.28443 813.62369
4630.0000 -182.57961 -174.47954 8.10008 2.55942 -175.73211 803.92491
4635.0000 -183.07361 -176.17021 6.90341 2.59835 -175.03976 843.74189
4640.0000 -183.73048 -177.31077 6.41971 2.54483 -175.99152 788.41980
4645.0000 -184.23789 -176.72305 7.51485 2.51607 -176.50311 765.76835
4650.0000 -183.68624 -177.54512 6.14112 2.50103 -176.77049 736.55204
4655.0000 -184.93633 -177.35960 7.57672 2.50118 -176.76783 750.08121
4660.0000 -184.09321 -176.66785 7.42536 2.50068 -176.77680 761.71845
4665.0000 -183.91937 -175.46723 8.45214 2.56485 -175.63553 817.67046
4670.0000 -184.03070 -175.24725 8.78345 2.53182 -176.22295 777.65794
4675.0000 -183.21780 -175.48423 7.73358 2.54258 -176.03157 775.69503
4680.0000 -184.61487 -177.01142 7.60345 2.55191 -175.86571 811.65771
4685.0000 -186.03212 -177.17934 8.85277 2.49996 -176.78958 765.58176
4690.0000 -184.68901 -177.33881 7.35020 2.48512 -177.05342 761.79658
4695.0000 -184.72652 -177.21589 7.51063 2.48992 -176.96803 749.50344
4700.0000 -183.51861 -175.08817 8.43044 2.51771 -176.47390 771.21267
4705.0000 -183.02308 -174.81182 8.21126 2.56598 -175.61544 803.89866
4710.0000 -184.54984 -176.79534 7.75450 2.52994 -176.25643 791.66015
4715.0000 -183.66636 -176.57115 7.09521 2.49801 -176.82419 769.39531
4720.0000 -184.54137 -176.25542 8.28595 2.58747 -175.23317 834.82409
4725.0000 -183.59188 -175.85650 7.73538 2.54533 -175.98261 793.96984
4730.0000 -184.22195 -177.13203 7.08992 2.55495 -175.81161 808.73570
4735.0000 -184.76125 -177.39610 7.36515 2.51859 -176.45817 796.00223
4740.0000 -184.39228 -176.62280 7.76948 2.45808 -177.53438 714.33866
4745.0000 -184.45892 -176.41642 8.04250 2.52781 -176.29432 776.98637
4750.0000 -183.54983 -175.69794 7.85189 2.51036 -176.60463 787.04660
FREEZING PROCESS: loop number 20 T-loop= 751.00000000000000
main_MD> interactions number 20 at Temperature= 751.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.90337 -1.03808 2.89711
force_rgl> df(natom) 2.30389 -1.84965 -2.20672
4755.0000 -182.92706 -175.62329 7.30377 2.58490 -175.27900 819.45838
4760.0000 -183.02057 -175.47093 7.54964 2.55249 -175.85539 786.59147
4765.0000 -183.86078 -176.60075 7.26003 2.50526 -176.69522 758.90092
4770.0000 -184.92187 -177.35526 7.56660 2.48407 -177.07223 760.50513
4775.0000 -184.81198 -177.83100 6.98097 2.43897 -177.87418 731.75322
4780.0000 -183.38725 -176.19817 7.18908 2.46380 -177.43262 754.25755
4785.0000 -186.06410 -179.15953 6.90457 2.43648 -177.91846 724.27809
4790.0000 -186.04082 -179.13537 6.90545 2.31060 -180.15726 651.26781
4795.0000 -183.29914 -174.93825 8.36089 2.49589 -176.86196 758.76452
4800.0000 -182.31695 -175.77886 6.53810 2.55803 -175.75674 786.44271
4805.0000 -184.05044 -177.42651 6.62393 2.52854 -176.28123 752.32605
4810.0000 -183.95471 -176.20508 7.74964 2.48581 -177.04119 746.53050
4815.0000 -183.23053 -175.62197 7.60856 2.53175 -176.22424 762.06635
4820.0000 -183.63558 -175.69278 7.94280 2.55148 -175.87336 785.09730
4825.0000 -184.00717 -175.40502 8.60215 2.61451 -174.75238 848.40871
4830.0000 -185.00523 -177.90462 7.10061 2.51831 -176.46325 764.73412
4835.0000 -183.92670 -175.48662 8.44008 2.49851 -176.81529 750.71172
4840.0000 -184.95267 -177.06541 7.88727 2.52752 -176.29941 766.24668
4845.0000 -185.40661 -178.32783 7.07878 2.45743 -177.54598 722.43142
4850.0000 -185.45407 -177.57502 7.87905 2.41914 -178.22680 698.22332
4855.0000 -185.07306 -178.32144 6.75163 2.42451 -178.13147 709.22851
4860.0000 -185.11643 -178.47234 6.64409 2.43575 -177.93145 742.66009
4865.0000 -185.63127 -177.91709 7.71418 2.38733 -178.79261 688.86994
4870.0000 -184.44787 -177.15758 7.29029 2.47490 -177.23517 750.07193
4875.0000 -184.75542 -177.54220 7.21322 2.45097 -177.66083 728.16870
4880.0000 -185.64364 -177.98330 7.66034 2.44420 -177.78119 734.25416
4885.0000 -185.33299 -179.35462 5.97837 2.41375 -178.32272 699.57621
4890.0000 -184.54959 -177.49093 7.05866 2.40307 -178.51277 722.64737
4895.0000 -185.05838 -176.70202 8.35636 2.46508 -177.40993 759.92585
4900.0000 -184.60639 -177.44452 7.16187 2.47889 -177.16428 767.39842
4905.0000 -184.22377 -177.07892 7.14485 2.46317 -177.44389 747.72817
4910.0000 -183.75176 -176.16676 7.58499 2.48608 -177.03638 758.68465
4915.0000 -186.17063 -178.91106 7.25956 2.50743 -176.65663 763.85050
4920.0000 -184.17246 -176.71483 7.45763 2.45936 -177.51164 755.00567
4925.0000 -183.97994 -177.60690 6.37305 2.46964 -177.32872 745.22925
4930.0000 -184.53778 -177.63265 6.90513 2.46461 -177.41814 719.47214
4935.0000 -183.44114 -176.67046 6.77067 2.52553 -176.33474 779.26015
4940.0000 -183.24589 -176.47576 6.77013 2.50905 -176.62788 767.10069
4945.0000 -184.31033 -176.65379 7.65654 2.52996 -176.25606 780.15479
4950.0000 -182.25039 -174.89092 7.35947 2.58069 -175.35380 813.96123
4955.0000 -184.04610 -177.42388 6.62222 2.55902 -175.73915 794.20768
4960.0000 -184.54319 -177.13151 7.41168 2.44070 -177.84343 730.09787
4965.0000 -184.41970 -176.21079 8.20890 2.47151 -177.29550 756.48862
4970.0000 -183.47935 -176.70021 6.77914 2.47485 -177.23607 759.32745
4975.0000 -184.35178 -177.11849 7.23329 2.49993 -176.79011 766.10388
4980.0000 -185.32297 -177.06095 8.26203 2.45603 -177.57083 749.10384
4985.0000 -183.56095 -176.43178 7.12917 2.47963 -177.15106 743.81270
4990.0000 -185.00728 -176.13020 8.87708 2.56250 -175.67739 814.21615
4995.0000 -184.99685 -177.72374 7.27311 2.46591 -177.39514 751.29428
5000.0000 -184.26996 -176.88081 7.38915 2.47245 -177.27879 743.64642
FREEZING PROCESS: loop number 21 T-loop= 726.00000000000000
main_MD> interactions number 21 at Temperature= 726.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.13863 0.48323 1.36064
force_rgl> df(natom) 0.93229 -1.06092 -3.14233
5005.0000 -184.69255 -177.65074 7.04181 2.48734 -177.01403 749.13958
5010.0000 -185.81007 -180.09085 5.71922 2.41907 -178.22814 708.23197
5015.0000 -185.87703 -178.72547 7.15156 2.38541 -178.82678 689.39670
5020.0000 -183.40693 -175.75860 7.64833 2.48465 -177.06175 767.83206
5025.0000 -185.09590 -177.16078 7.93512 2.52162 -176.40425 734.06350
5030.0000 -184.11037 -176.36390 7.74647 2.51658 -176.49404 750.06174
5035.0000 -184.62375 -176.81277 7.81098 2.51176 -176.57976 780.29800
5040.0000 -184.91848 -177.30091 7.61757 2.54355 -176.01427 814.89966
5045.0000 -184.32795 -177.44427 6.88368 2.46270 -177.45217 731.18892
5050.0000 -185.99381 -179.75584 6.23798 2.42749 -178.07847 707.51574
5055.0000 -184.72198 -177.99703 6.72495 2.40714 -178.44022 724.52927
5060.0000 -183.32033 -175.97088 7.34945 2.46335 -177.44071 754.07247
5065.0000 -184.65873 -177.88859 6.77015 2.46321 -177.44316 731.94646
5070.0000 -184.48792 -177.79720 6.69072 2.43123 -178.01179 701.98972
5075.0000 -184.19593 -176.93533 7.26060 2.47134 -177.29846 749.31273
5080.0000 -186.44224 -178.83299 7.60925 2.44983 -177.68106 754.27400
5085.0000 -185.04253 -178.78142 6.26110 2.40772 -178.42994 723.67782
5090.0000 -185.19039 -178.67819 6.51221 2.38100 -178.90514 691.80151
5095.0000 -185.17903 -177.73471 7.44432 2.44096 -177.83888 724.99710
5100.0000 -184.45712 -176.91981 7.53730 2.47293 -177.27033 741.84493
5105.0000 -185.06398 -178.41970 6.64428 2.41154 -178.36211 691.65342
5110.0000 -184.69148 -177.82878 6.86270 2.44074 -177.84276 715.23326
5115.0000 -184.52590 -177.57259 6.95331 2.43830 -177.88622 703.49639
5120.0000 -185.18172 -177.58595 7.59577 2.44746 -177.72330 749.93253
5125.0000 -184.85658 -177.78095 7.07563 2.40194 -178.53286 713.12737
5130.0000 -184.31129 -178.65419 5.65710 2.41807 -178.24599 701.14255
5135.0000 -183.79937 -176.54568 7.25369 2.47187 -177.28919 753.16128
5140.0000 -184.77437 -177.74521 7.02917 2.44675 -177.73578 738.25741
5145.0000 -184.20736 -177.07438 7.13298 2.49482 -176.88089 766.93062
5150.0000 -184.89116 -177.93545 6.95571 2.45250 -177.63356 722.29430
5155.0000 -184.04877 -177.49633 6.55244 2.45617 -177.56824 731.67294
5160.0000 -185.97693 -178.40020 7.57673 2.42499 -178.12289 718.73647
5165.0000 -184.83855 -177.08388 7.75467 2.40999 -178.38959 733.69643
5170.0000 -185.55869 -179.03166 6.52703 2.45447 -177.59858 736.70444
5175.0000 -185.63757 -179.07237 6.56520 2.36478 -179.19371 683.43433
5180.0000 -185.92503 -178.30948 7.61555 2.36635 -179.16571 655.98592
5185.0000 -186.25301 -180.08692 6.16609 2.34164 -179.60525 653.10331
5190.0000 -186.85198 -179.74384 7.10814 2.31324 -180.11027 666.14008
5195.0000 -183.31654 -176.66429 6.65225 2.40893 -178.40845 706.73631
5200.0000 -183.40597 -175.48945 7.91652 2.52932 -176.26742 773.90596
5205.0000 -183.59574 -176.39268 7.20306 2.52918 -176.26988 750.37490
5210.0000 -184.64432 -177.23655 7.40777 2.47547 -177.22505 737.84232
5215.0000 -184.67668 -177.64519 7.03149 2.45195 -177.64330 700.93026
5220.0000 -184.90677 -177.49716 7.40961 2.47999 -177.14476 759.68619
5225.0000 -183.69468 -177.33591 6.35876 2.50961 -176.61798 759.82079
5230.0000 -185.96491 -179.13301 6.83190 2.42158 -178.18348 712.57884
5235.0000 -184.41743 -177.62423 6.79321 2.43819 -177.88811 717.30932
5240.0000 -184.60682 -176.40088 8.20594 2.52352 -176.37059 776.12117
5245.0000 -183.58162 -176.51234 7.06928 2.52762 -176.29758 775.53559
5250.0000 -184.72633 -177.62898 7.09735 2.51156 -176.58329 769.52746
FREEZING PROCESS: loop number 22 T-loop= 701.00000000000000
main_MD> interactions number 22 at Temperature= 701.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57359 0.66899 -2.85112
force_rgl> df(natom) 2.49137 5.11540 -2.35197
5255.0000 -184.58545 -177.95730 6.62815 2.43614 -177.92448 692.47260
5260.0000 -185.23135 -178.70783 6.52352 2.40448 -178.48765 695.21304
5265.0000 -187.28536 -179.93418 7.35118 2.32044 -179.98218 635.08169
5270.0000 -185.40225 -179.87590 5.52635 2.32974 -179.81678 646.67132
5275.0000 -185.73448 -179.14826 6.58622 2.38600 -178.81622 670.23762
5280.0000 -186.68047 -180.31250 6.36797 2.34441 -179.55594 670.94778
5285.0000 -188.07625 -181.11425 6.96200 2.29549 -180.42597 663.31754
5290.0000 -186.68974 -179.51136 7.17838 2.30174 -180.31475 646.03517
5295.0000 -185.78710 -178.39522 7.39188 2.38462 -178.84083 702.35188
5300.0000 -186.73853 -181.00686 5.73167 2.35892 -179.29789 703.85560
5305.0000 -185.68629 -179.24395 6.44234 2.31847 -180.01724 652.28776
5310.0000 -184.97883 -178.09751 6.88132 2.40716 -178.44001 737.62787
5315.0000 -185.97247 -179.32895 6.64352 2.37941 -178.93340 667.83333
5320.0000 -185.89332 -179.81493 6.07839 2.33901 -179.65192 658.25519
5325.0000 -185.26826 -179.69196 5.57630 2.33406 -179.73995 640.92778
5330.0000 -184.43636 -177.38326 7.05309 2.37329 -179.04225 695.41182
5335.0000 -185.25359 -177.87540 7.37819 2.43264 -177.98688 743.84901
5340.0000 -185.06903 -178.34518 6.72386 2.48021 -177.14083 756.98353
5345.0000 -185.45964 -178.64109 6.81854 2.39752 -178.61130 696.93408
5350.0000 -186.41147 -180.25182 6.15964 2.33603 -179.70503 671.34239
5355.0000 -185.78209 -179.24278 6.53931 2.29137 -180.49928 659.69736
5360.0000 -186.34144 -180.32396 6.01748 2.33052 -179.80290 687.05017
5365.0000 -186.66128 -180.15966 6.50163 2.30054 -180.33619 660.98754
5370.0000 -186.28141 -178.97307 7.30834 2.32791 -179.84938 652.87793
5375.0000 -184.19080 -178.16420 6.02660 2.39111 -178.72540 683.72007
5380.0000 -184.77433 -177.77637 6.99796 2.43601 -177.92682 697.60751
5385.0000 -185.90018 -177.17742 8.72276 2.47447 -177.24286 717.81409
5390.0000 -185.08501 -179.48195 5.60305 2.41510 -178.29869 711.50344
5395.0000 -186.94003 -180.00274 6.93728 2.33339 -179.75198 644.67749
5400.0000 -185.62281 -179.79966 5.82315 2.31867 -180.01367 632.47962
5405.0000 -185.29076 -178.37915 6.91162 2.32749 -179.85685 642.63757
5410.0000 -185.17091 -178.27169 6.89922 2.40515 -178.47569 709.05331
5415.0000 -186.62000 -179.30927 7.31073 2.39148 -178.71881 698.95032
5420.0000 -185.60326 -178.65181 6.95145 2.41491 -178.30207 717.22073
5425.0000 -185.71606 -178.48038 7.23568 2.36099 -179.26111 647.70401
5430.0000 -183.95757 -176.43946 7.51812 2.49272 -176.91822 767.52972
5435.0000 -183.25715 -175.36162 7.89553 2.53307 -176.20073 796.49115
5440.0000 -184.04601 -177.39494 6.65107 2.53813 -176.11067 787.70205
5445.0000 -184.91767 -177.95596 6.96171 2.49389 -176.89750 750.77940
5450.0000 -183.51508 -176.81717 6.69792 2.45819 -177.53244 730.42924
5455.0000 -184.59407 -176.99396 7.60011 2.49160 -176.93827 730.23235
5460.0000 -185.84038 -178.54926 7.29112 2.47467 -177.23928 757.13351
5465.0000 -185.49641 -179.21536 6.28104 2.38444 -178.84400 689.16203
5470.0000 -183.96819 -177.34639 6.62180 2.42673 -178.09189 707.85292
5475.0000 -185.52236 -177.96857 7.55379 2.44777 -177.71774 748.04367
5480.0000 -185.41481 -177.94532 7.46949 2.44421 -177.78097 709.61934
5485.0000 -186.15735 -178.60995 7.54740 2.44459 -177.77433 716.31778
5490.0000 -185.63160 -177.60604 8.02556 2.40742 -178.43536 705.33991
5495.0000 -184.17451 -177.28844 6.88607 2.46178 -177.46854 741.35386
5500.0000 -185.30766 -177.56154 7.74611 2.46561 -177.40046 734.14827
FREEZING PROCESS: loop number 23 T-loop= 676.00000000000000
main_MD> interactions number 23 at Temperature= 676.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76634 -0.33254 -2.42183
force_rgl> df(natom) -1.55243 -2.23335 -7.98696
5505.0000 -185.59516 -179.28800 6.30716 2.43179 -178.00182 733.36276
5510.0000 -186.28998 -179.85425 6.43574 2.34043 -179.62670 660.63554
5515.0000 -185.84712 -179.15197 6.69515 2.35563 -179.35636 673.53183
5520.0000 -183.83039 -177.56368 6.26672 2.42747 -178.07866 733.93405
5525.0000 -184.64630 -177.45143 7.19486 2.45924 -177.51376 732.92934
5530.0000 -185.36144 -178.07005 7.29139 2.42361 -178.14730 719.05884
5535.0000 -185.49436 -180.17130 5.32306 2.40638 -178.45376 694.81765
5540.0000 -187.06998 -181.17135 5.89863 2.27773 -180.74182 624.19650
5545.0000 -185.55555 -178.85241 6.70314 2.33345 -179.75091 670.14535
5550.0000 -185.56559 -178.89431 6.67129 2.39440 -178.66681 702.09888
5555.0000 -185.98585 -179.33820 6.64765 2.37535 -179.00563 683.85318
5560.0000 -184.91027 -177.94662 6.96365 2.38261 -178.87654 694.04859
5565.0000 -185.71193 -178.68098 7.03095 2.40475 -178.48287 724.63670
5570.0000 -185.37727 -179.03566 6.34161 2.34956 -179.46432 672.97299
5575.0000 -186.06338 -179.44673 6.61665 2.35527 -179.36279 690.11306
5580.0000 -185.18358 -178.59854 6.58504 2.36694 -179.15524 690.59293
5585.0000 -186.70157 -179.12813 7.57344 2.34745 -179.50178 678.89615
5590.0000 -184.98834 -178.53363 6.45471 2.37938 -178.93401 694.97970
5595.0000 -186.72765 -179.24097 7.48668 2.36929 -179.11349 705.70112
5600.0000 -185.79705 -179.18119 6.61586 2.35836 -179.30777 671.23060
5605.0000 -187.44499 -180.82399 6.62100 2.31219 -180.12900 648.92915
5610.0000 -185.84966 -179.75335 6.09630 2.29707 -180.39778 659.02205
5615.0000 -185.68057 -179.01899 6.66157 2.37680 -178.97986 692.49994
5620.0000 -187.43093 -180.73082 6.70010 2.35380 -179.38890 654.66625
5625.0000 -187.04769 -181.05523 5.99246 2.29762 -180.38803 621.65951
5630.0000 -185.89178 -179.03844 6.85333 2.28467 -180.61829 631.56474
5635.0000 -185.18582 -179.75245 5.43337 2.34794 -179.49315 672.42734
5640.0000 -187.69104 -181.07884 6.61220 2.27943 -180.71161 631.01381
5645.0000 -186.81926 -179.99783 6.82143 2.29171 -180.49310 641.74230
5650.0000 -185.08340 -178.92582 6.15757 2.37532 -179.00617 691.38682
5655.0000 -184.59811 -178.72090 5.87721 2.40992 -178.39086 704.75550
5660.0000 -185.49601 -178.84457 6.65143 2.39243 -178.70197 677.17033
5665.0000 -186.65308 -180.03097 6.62211 2.31463 -180.08549 659.18897
5670.0000 -186.24433 -179.33949 6.90483 2.34575 -179.53203 678.69967
5675.0000 -186.08262 -179.57917 6.50345 2.32697 -179.86610 646.27824
5680.0000 -184.15143 -177.62488 6.52655 2.41240 -178.34670 708.59719
5685.0000 -185.72052 -178.04889 7.67163 2.44010 -177.85417 747.52871
5690.0000 -184.85564 -176.58513 8.27052 2.45944 -177.51025 740.14220
5695.0000 -184.88688 -179.20642 5.68046 2.43350 -177.97147 736.89008
5700.0000 -186.00500 -179.08107 6.92393 2.33764 -179.67632 645.52026
5705.0000 -184.88736 -177.60506 7.28230 2.42358 -178.14797 698.16703
5710.0000 -184.65677 -177.90777 6.74900 2.42425 -178.13596 714.81731
5715.0000 -187.26932 -179.59872 7.67060 2.37744 -178.96851 702.82530
5720.0000 -185.51755 -178.76297 6.75458 2.33788 -179.67204 692.96587
5725.0000 -186.71547 -180.53966 6.17581 2.33279 -179.76266 655.37437
5730.0000 -186.50349 -179.96865 6.53484 2.30400 -180.27460 633.87804
5735.0000 -186.65988 -180.44221 6.21767 2.30408 -180.27316 650.57666
5740.0000 -186.40771 -180.06782 6.33990 2.27413 -180.80586 602.77548
5745.0000 -185.96723 -178.36519 7.60205 2.37017 -179.09774 678.25335
5750.0000 -184.88766 -178.43990 6.44776 2.41976 -178.21594 717.39035
FREEZING PROCESS: loop number 24 T-loop= 651.00000000000000
main_MD> interactions number 24 at Temperature= 651.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53766 -0.13855 1.15493
force_rgl> df(natom) -1.39133 0.37982 1.36614
5755.0000 -186.08306 -180.25102 5.83205 2.35613 -179.34747 672.52904
5760.0000 -185.63528 -179.71309 5.92218 2.34203 -179.59824 665.49866
5765.0000 -186.72945 -180.44792 6.28153 2.29780 -180.38480 631.72294
5770.0000 -187.03340 -180.42391 6.60950 2.30385 -180.27719 662.83172
5775.0000 -186.54443 -180.16412 6.38031 2.28397 -180.63089 631.57397
5780.0000 -186.72285 -180.63685 6.08601 2.29864 -180.36986 627.08516
5785.0000 -187.07962 -181.06920 6.01042 2.33183 -179.77957 674.19648
5790.0000 -186.85708 -180.97490 5.88219 2.26026 -181.05254 634.72853
5795.0000 -186.69861 -181.20332 5.49530 2.28248 -180.65728 629.21330
5800.0000 -186.02712 -180.03556 5.99155 2.26815 -180.91222 604.56883
5805.0000 -186.84011 -180.71163 6.12848 2.24300 -181.35953 602.28301
5810.0000 -186.53707 -180.37988 6.15719 2.29785 -180.38389 620.90016
5815.0000 -186.46499 -179.89362 6.57136 2.30181 -180.31352 626.73198
5820.0000 -187.11267 -181.14190 5.97077 2.30713 -180.21900 638.48509
5825.0000 -187.48833 -180.67171 6.81662 2.27465 -180.79650 638.87519
5830.0000 -186.57469 -180.72582 5.84886 2.30081 -180.33137 609.75469
5835.0000 -187.26760 -181.19817 6.06943 2.29613 -180.41462 637.89435
5840.0000 -187.16570 -181.13979 6.02591 2.27260 -180.83309 622.73215
5845.0000 -186.77641 -180.83596 5.94046 2.25164 -181.20573 596.96708
5850.0000 -187.47621 -180.07612 7.40009 2.30008 -180.34426 651.58987
5855.0000 -186.36290 -179.69397 6.66893 2.32365 -179.92519 662.90863
5860.0000 -186.20540 -179.64008 6.56533 2.34811 -179.49004 670.11423
5865.0000 -186.65503 -179.78756 6.86747 2.34079 -179.62021 642.17815
5870.0000 -186.24130 -179.38966 6.85165 2.34883 -179.47735 651.29075
5875.0000 -186.13062 -179.65732 6.47330 2.34886 -179.47686 663.17238
5880.0000 -186.88007 -179.06178 7.81829 2.37504 -179.01125 674.02781
5885.0000 -183.89438 -176.57552 7.31886 2.43687 -177.91152 725.26051
5890.0000 -184.83755 -178.93154 5.90601 2.41996 -178.21225 713.36551
5895.0000 -185.58003 -178.50434 7.07569 2.37606 -178.99298 672.48704
5900.0000 -187.59551 -180.99712 6.59839 2.34323 -179.57685 658.10058
5905.0000 -187.10461 -180.76607 6.33854 2.27240 -180.83659 623.77257
5910.0000 -188.07297 -182.79753 5.27545 2.19975 -182.12866 571.04727
5915.0000 -187.30898 -180.59242 6.71656 2.22772 -181.63115 598.91298
5920.0000 -185.48819 -179.91961 5.56858 2.28654 -180.58516 630.42966
5925.0000 -185.71631 -179.31393 6.40238 2.35280 -179.40673 651.23858
5930.0000 -184.62782 -178.58438 6.04343 2.36386 -179.21000 670.62684
5935.0000 -184.51099 -178.13362 6.37736 2.43576 -177.93140 686.89289
5940.0000 -184.89604 -177.99147 6.90457 2.39260 -178.69881 710.41354
5945.0000 -185.71688 -179.73043 5.98645 2.38488 -178.83618 688.78210
5950.0000 -186.20437 -179.66795 6.53643 2.32896 -179.83070 656.18295
5955.0000 -185.94262 -179.45680 6.48583 2.34740 -179.50274 681.39423
5960.0000 -186.94952 -180.09582 6.85370 2.30430 -180.26932 628.14704
5965.0000 -187.02027 -180.94155 6.07871 2.27332 -180.82015 616.95187
5970.0000 -186.47334 -179.93872 6.53462 2.29794 -180.38229 634.73727
5975.0000 -185.66087 -179.26805 6.39282 2.32094 -179.97326 635.42093
5980.0000 -186.05507 -178.57344 7.48163 2.36393 -179.20885 686.13979
5985.0000 -186.27690 -179.92084 6.35606 2.37243 -179.05765 704.67107
5990.0000 -186.51130 -181.21910 5.29220 2.30308 -180.29104 632.01641
5995.0000 -186.21377 -179.20833 7.00544 2.27033 -180.87339 591.59241
6000.0000 -186.33800 -180.56160 5.77639 2.31592 -180.06264 645.24665
FREEZING PROCESS: loop number 25 T-loop= 626.00000000000000
main_MD> interactions number 25 at Temperature= 626.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50756 4.39758 1.58008
force_rgl> df(natom) 1.76795 1.07107 -0.45604
6005.0000 -186.57359 -180.28302 6.29056 2.27611 -180.77068 608.10938
6010.0000 -186.03670 -179.58391 6.45278 2.32468 -179.90682 659.26777
6015.0000 -185.61489 -179.56688 6.04801 2.34830 -179.48666 669.92166
6020.0000 -186.69251 -180.31094 6.38157 2.28758 -180.56654 626.35904
6025.0000 -186.16703 -180.01839 6.14864 2.33703 -179.68716 662.24300
6030.0000 -186.11627 -179.94581 6.17045 2.34523 -179.54127 662.54361
6035.0000 -186.16783 -179.90075 6.26707 2.32917 -179.82701 650.35792
6040.0000 -187.00062 -181.04023 5.96039 2.30635 -180.23284 625.72198
6045.0000 -187.72748 -182.27565 5.45183 2.26402 -180.98566 588.98575
6050.0000 -187.69432 -181.23006 6.46426 2.24065 -181.40119 625.14335
6055.0000 -186.13551 -181.14922 4.98629 2.26359 -180.99331 614.28074
6060.0000 -187.17851 -180.54654 6.63196 2.27709 -180.75318 624.30379
6065.0000 -187.81778 -181.84206 5.97572 2.28861 -180.54824 657.02815
6070.0000 -187.30997 -182.21041 5.09956 2.22169 -181.73848 584.40207
6075.0000 -186.24758 -180.77668 5.47090 2.20913 -181.96178 582.44988
6080.0000 -187.43129 -181.14271 6.28858 2.26813 -180.91252 636.54452
6085.0000 -187.46097 -181.53868 5.92229 2.25500 -181.14611 649.05763
6090.0000 -186.94535 -181.18061 5.76474 2.25298 -181.18191 612.07418
6095.0000 -187.12236 -180.09347 7.02890 2.27279 -180.82961 615.59373
6100.0000 -185.91888 -180.35438 5.56450 2.34165 -179.60497 654.99573
6105.0000 -187.05033 -180.00425 7.04607 2.29812 -180.37915 645.27731
6110.0000 -187.31206 -181.19137 6.12070 2.32116 -179.96949 675.72656
6115.0000 -187.23391 -180.92886 6.30506 2.23992 -181.41419 584.07811
6120.0000 -187.22639 -180.43447 6.79192 2.28510 -180.61070 638.23821
6125.0000 -185.46890 -179.53260 5.93630 2.28019 -180.69797 645.57727
6130.0000 -186.04278 -179.63898 6.40380 2.34845 -179.48409 663.38958
6135.0000 -186.71921 -179.56058 7.15863 2.35104 -179.43793 688.51237
6140.0000 -186.42955 -179.41859 7.01096 2.35889 -179.29838 667.13411
6145.0000 -186.21902 -179.85187 6.36715 2.36994 -179.10195 686.52032
6150.0000 -186.27183 -179.96531 6.30653 2.30334 -180.28634 638.54749
6155.0000 -186.99927 -181.12825 5.87102 2.28933 -180.53551 619.76483
6160.0000 -186.77902 -180.78573 5.99329 2.27181 -180.84701 600.75539
6165.0000 -185.70845 -179.50386 6.20459 2.31762 -180.03231 641.17575
6170.0000 -185.85623 -178.27047 7.58576 2.40694 -178.44384 725.53735
6175.0000 -184.84476 -178.39236 6.45240 2.39427 -178.66927 697.99491
6180.0000 -185.24141 -179.16334 6.07807 2.37731 -178.97075 699.78470
6185.0000 -185.62848 -178.51126 7.11722 2.39456 -178.66396 683.49554
6190.0000 -187.21290 -180.35611 6.85679 2.37219 -179.06184 690.25371
6195.0000 -188.45313 -182.41424 6.03889 2.24185 -181.37995 603.90961
6200.0000 -186.34688 -181.29887 5.04801 2.21805 -181.80319 598.32433
6205.0000 -187.15902 -180.83267 6.32635 2.27069 -180.86708 615.14413
6210.0000 -186.31615 -180.06629 6.24986 2.31279 -180.11826 668.47480
6215.0000 -185.67096 -178.37707 7.29389 2.35344 -179.39528 641.56042
6220.0000 -185.30287 -178.56318 6.73969 2.38905 -178.76206 704.76331
6225.0000 -184.82601 -178.43436 6.39165 2.41934 -178.22326 711.33611
6230.0000 -184.35235 -177.98891 6.36345 2.42248 -178.16740 698.93668
6235.0000 -185.03795 -179.16769 5.87026 2.40284 -178.51674 677.93465
6240.0000 -183.99857 -179.04130 4.95727 2.36509 -179.18810 637.99584
6245.0000 -185.47869 -179.41149 6.06720 2.36114 -179.25833 660.76053
6250.0000 -186.44324 -181.01121 5.43203 2.30769 -180.20902 616.13265
FREEZING PROCESS: loop number 26 T-loop= 601.00000000000000
main_MD> interactions number 26 at Temperature= 601.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.88740 2.21334 -0.74841
force_rgl> df(natom) 2.06992 0.44312 2.48702
6255.0000 -186.87259 -179.70276 7.16984 2.28727 -180.57213 616.86645
6260.0000 -185.70780 -179.87166 5.83613 2.30794 -180.20443 624.92743
6265.0000 -186.36761 -179.86667 6.50094 2.33584 -179.70837 658.84579
6270.0000 -186.86582 -180.67475 6.19107 2.30336 -180.28590 647.41010
6275.0000 -186.86496 -180.90299 5.96197 2.26009 -181.05549 604.62801
6280.0000 -187.11255 -181.76768 5.34487 2.23364 -181.52584 610.65113
6285.0000 -187.37104 -180.86414 6.50690 2.23563 -181.49049 597.74216
6290.0000 -187.25302 -180.96854 6.28447 2.25974 -181.06164 599.14043
6295.0000 -187.48227 -181.69043 5.79184 2.22805 -181.62534 600.60386
6300.0000 -188.17158 -181.97915 6.19243 2.19322 -182.24472 584.48979
6305.0000 -188.65221 -182.48248 6.16973 2.20736 -181.99328 604.12004
6310.0000 -187.47427 -182.48004 4.99424 2.15795 -182.87195 561.09005
6315.0000 -187.96553 -182.73841 5.22711 2.19850 -182.15081 568.77076
6320.0000 -186.87824 -181.67964 5.19861 2.19761 -182.16671 566.84024
6325.0000 -187.29605 -182.08541 5.21065 2.21379 -181.87898 580.85589
6330.0000 -187.73471 -181.93714 5.79757 2.21082 -181.93183 572.37925
6335.0000 -187.83510 -183.02900 4.80610 2.19004 -182.30137 562.89795
6340.0000 -187.04048 -181.46830 5.57218 2.19503 -182.21256 573.33464
6345.0000 -187.74820 -182.89666 4.85155 2.19330 -182.24325 552.57807
6350.0000 -187.21994 -181.40708 5.81286 2.18878 -182.32376 547.59650
6355.0000 -187.20662 -181.42271 5.78391 2.22778 -181.63003 599.12497
6360.0000 -187.17745 -182.20478 4.97267 2.22374 -181.70194 581.66438
6365.0000 -188.03178 -182.19666 5.83512 2.20487 -182.03758 563.29926
6370.0000 -186.68355 -181.95198 4.73157 2.22415 -181.69475 561.11305
6375.0000 -187.77343 -181.30533 6.46809 2.22992 -181.59211 583.80775
6380.0000 -186.63425 -180.63828 5.99597 2.28991 -180.52514 618.93533
6385.0000 -188.20665 -181.93900 6.26765 2.24358 -181.34914 586.09973
6390.0000 -187.35774 -181.70425 5.65349 2.26626 -180.94569 617.14874
6395.0000 -188.08666 -182.04173 6.04493 2.23204 -181.55429 611.19341
6400.0000 -187.72569 -182.06666 5.65903 2.18566 -182.37923 583.49740
6405.0000 -188.14682 -181.55252 6.59431 2.17658 -182.54073 604.85279
6410.0000 -187.84242 -181.89503 5.94739 2.21402 -181.87484 633.65504
6415.0000 -187.93153 -181.43120 6.50033 2.19277 -182.25271 583.47171
6420.0000 -186.29830 -180.58184 5.71645 2.28660 -180.58409 618.49528
6425.0000 -186.34894 -180.11836 6.23058 2.28808 -180.55769 625.35430
6430.0000 -188.57307 -182.06042 6.51265 2.26824 -180.91058 631.89380
6435.0000 -187.16485 -181.08842 6.07643 2.24118 -181.39185 651.36432
6440.0000 -186.39529 -180.24038 6.15491 2.25685 -181.11317 605.31842
6445.0000 -187.80992 -181.98083 5.82909 2.24177 -181.38129 603.88136
6450.0000 -187.37015 -181.45123 5.91892 2.20600 -182.01744 563.66710
6455.0000 -188.03384 -181.32138 6.71246 2.23725 -181.46173 590.26154
6460.0000 -188.56081 -182.01448 6.54634 2.22758 -181.63372 595.07750
6465.0000 -187.73499 -182.86561 4.86938 2.18162 -182.45097 561.90469
6470.0000 -188.32303 -182.96993 5.35310 2.16672 -182.71607 541.73235
6475.0000 -188.05441 -182.94779 5.10662 2.14409 -183.11846 525.91657
6480.0000 -188.38071 -182.86273 5.51798 2.14785 -183.05155 551.38134
6485.0000 -187.72290 -182.43464 5.28826 2.16836 -182.68696 561.92430
6490.0000 -187.27331 -181.20549 6.06783 2.23663 -181.47265 616.22720
6495.0000 -186.98606 -179.95331 7.03276 2.28244 -180.65797 625.73998
6500.0000 -186.62179 -179.53506 7.08673 2.30546 -180.24861 648.42259
FREEZING PROCESS: loop number 27 T-loop= 576.00000000000000
main_MD> interactions number 27 at Temperature= 576.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.14002 -4.27775 -4.77535
force_rgl> df(natom) 0.23866 -0.05600 1.48614
6505.0000 -187.68969 -182.33592 5.35377 2.28289 -180.65005 626.57866
6510.0000 -186.87850 -181.40962 5.46888 2.21735 -181.81560 582.39390
6515.0000 -188.04080 -181.93539 6.10541 2.20450 -182.04413 589.62252
6520.0000 -187.27571 -182.07298 5.20273 2.21190 -181.91252 597.15629
6525.0000 -187.11956 -180.68661 6.43295 2.25725 -181.10593 616.56060
6530.0000 -187.21921 -181.57990 5.63931 2.25231 -181.19394 598.96130
6535.0000 -187.66260 -182.14188 5.52072 2.21520 -181.85393 552.61259
6540.0000 -185.72778 -179.49769 6.23009 2.25652 -181.11892 614.51754
6545.0000 -187.54255 -182.05448 5.48806 2.28868 -180.54699 641.45623
6550.0000 -188.75269 -183.69164 5.06105 2.19065 -182.29048 579.08784
6555.0000 -188.59253 -183.45029 5.14224 2.13860 -183.21616 536.69390
6560.0000 -187.93170 -182.14414 5.78756 2.18539 -182.38405 587.21512
6565.0000 -187.91570 -182.41485 5.50086 2.21095 -181.92937 589.58987
6570.0000 -187.90550 -182.64139 5.26412 2.16019 -182.83220 540.27949
6575.0000 -187.57581 -182.74555 4.83026 2.15814 -182.86861 555.12184
6580.0000 -187.80186 -182.41572 5.38614 2.16855 -182.68354 549.30722
6585.0000 -187.36124 -182.19186 5.16938 2.19243 -182.25882 580.77731
6590.0000 -188.35613 -183.06836 5.28777 2.18753 -182.34587 576.19348
6595.0000 -188.49473 -183.86542 4.62931 2.12413 -183.47347 525.68894
6600.0000 -188.48486 -183.03318 5.45168 2.15195 -182.97874 563.15368
6605.0000 -189.02621 -183.48503 5.54118 2.11671 -183.60541 526.88640
6610.0000 -188.74428 -183.63033 5.11395 2.11360 -183.66075 525.16703
6615.0000 -187.98253 -182.80977 5.17276 2.16747 -182.70269 543.35318
6620.0000 -187.83161 -182.66934 5.16228 2.17382 -182.58977 538.23526
6625.0000 -187.31191 -182.23584 5.07607 2.17521 -182.56506 559.77240
6630.0000 -187.87494 -181.75065 6.12430 2.15429 -182.93706 573.13962
6635.0000 -188.86012 -182.80990 6.05022 2.15785 -182.87378 552.76196
6640.0000 -188.38222 -183.05704 5.32517 2.15751 -182.87975 559.54172
6645.0000 -188.77944 -183.81085 4.96859 2.15064 -183.00201 546.48236
6650.0000 -187.82241 -183.34486 4.47755 2.13539 -183.27328 532.07907
6655.0000 -188.29990 -182.98447 5.31544 2.16197 -182.80053 572.15633
6660.0000 -189.58714 -183.21957 6.36756 2.18220 -182.44067 588.60645
6665.0000 -188.02742 -182.56959 5.45783 2.14238 -183.14894 542.84709
6670.0000 -189.06244 -183.54930 5.51314 2.11795 -183.58331 508.67368
6675.0000 -188.05235 -182.62886 5.42348 2.14708 -183.06531 533.56658
6680.0000 -188.86833 -183.48686 5.38147 2.13388 -183.30008 535.03588
6685.0000 -186.81502 -181.42574 5.38928 2.16477 -182.75079 562.17227
6690.0000 -187.73472 -181.18292 6.55180 2.21334 -181.88691 586.25062
6695.0000 -188.36634 -183.13973 5.22661 2.17193 -182.62337 550.26387
6700.0000 -188.27875 -182.93876 5.33999 2.15594 -182.90771 546.65374
6705.0000 -187.47574 -182.18184 5.29390 2.17125 -182.63547 557.98668
6710.0000 -188.07322 -182.18544 5.88778 2.19551 -182.20411 571.63658
6715.0000 -187.52036 -181.27733 6.24303 2.21591 -181.84128 589.42171
6720.0000 -186.96964 -181.15603 5.81361 2.23596 -181.48469 586.92277
6725.0000 -186.67853 -181.05308 5.62545 2.23629 -181.47878 622.30096
6730.0000 -187.81055 -182.61253 5.19802 2.21141 -181.92122 578.69006
6735.0000 -187.31736 -181.27870 6.03865 2.22892 -181.60982 592.64073
6740.0000 -186.88645 -181.39801 5.48844 2.28340 -180.64094 625.86590
6745.0000 -186.78636 -181.16887 5.61748 2.29424 -180.44823 626.24072
6750.0000 -187.26042 -182.10270 5.15772 2.23916 -181.42779 598.17567
FREEZING PROCESS: loop number 28 T-loop= 551.00000000000000
main_MD> interactions number 28 at Temperature= 551.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.41289 0.31048 1.06683
force_rgl> df(natom) 0.39814 1.62137 1.89241
6755.0000 -188.55242 -183.25983 5.29259 2.14945 -183.02319 534.57912
6760.0000 -188.69160 -183.40258 5.28902 2.13147 -183.34296 536.87683
6765.0000 -188.96986 -184.23590 4.73397 2.11094 -183.70804 511.23220
6770.0000 -190.46889 -185.39784 5.07105 2.06079 -184.59999 477.26457
6775.0000 -188.74905 -183.87017 4.87887 2.05732 -184.66169 491.63348
6780.0000 -188.89387 -183.38084 5.51303 2.13395 -183.29889 532.33674
6785.0000 -188.58097 -183.56849 5.01248 2.13705 -183.24378 534.29566
6790.0000 -187.82028 -182.07640 5.74388 2.17744 -182.52533 570.51309
6795.0000 -187.75120 -181.45687 6.29433 2.20312 -182.06873 578.91084
6800.0000 -188.20308 -182.36345 5.83963 2.22503 -181.67899 585.37680
6805.0000 -187.51955 -181.60850 5.91105 2.21893 -181.78753 592.31258
6810.0000 -187.51857 -182.03538 5.48318 2.22953 -181.59892 586.06448
6815.0000 -187.43698 -181.91504 5.52194 2.23178 -181.55900 610.09898
6820.0000 -188.11064 -182.29942 5.81122 2.21602 -181.83926 589.01359
6825.0000 -188.05905 -181.85902 6.20003 2.20473 -182.03999 581.63547
6830.0000 -188.49033 -183.39570 5.09463 2.20666 -182.00575 565.18773
6835.0000 -187.24373 -182.99018 4.25355 2.14144 -183.16567 517.26975
6840.0000 -188.03323 -183.00453 5.02870 2.15038 -183.00657 529.12219
6845.0000 -188.38568 -183.03235 5.35333 2.14450 -183.11129 532.72825
6850.0000 -187.45677 -182.33670 5.12007 2.17779 -182.51915 577.14619
6855.0000 -188.56398 -183.34719 5.21679 2.16791 -182.69496 584.99736
6860.0000 -188.93460 -183.91692 5.01768 2.10730 -183.77283 539.65621
6865.0000 -188.00819 -182.93887 5.06931 2.13109 -183.34976 552.27436
6870.0000 -187.37929 -182.20083 5.17846 2.19649 -182.18663 574.58622
6875.0000 -187.51989 -182.01073 5.50915 2.18797 -182.33806 575.80185
6880.0000 -188.00067 -182.03319 5.96747 2.20387 -182.05527 563.60943
6885.0000 -187.57527 -181.61551 5.95976 2.22836 -181.61972 580.59406
6890.0000 -187.63561 -182.11789 5.51772 2.21009 -181.94468 575.78844
6895.0000 -187.44885 -182.70298 4.74587 2.18494 -182.39209 568.27439
6900.0000 -187.97402 -183.04752 4.92649 2.13443 -183.29035 527.24073
6905.0000 -188.74702 -183.59081 5.15620 2.11025 -183.72038 500.07583
6910.0000 -188.79372 -183.67377 5.11995 2.10073 -183.88965 518.01278
6915.0000 -188.65108 -183.40791 5.24318 2.13984 -183.19407 546.23113
6920.0000 -188.26858 -183.39377 4.87481 2.12545 -183.45000 537.80412
6925.0000 -188.62638 -183.48158 5.14480 2.12403 -183.47519 525.85738
6930.0000 -187.33809 -182.32676 5.01133 2.14876 -183.03546 537.43111
6935.0000 -189.41147 -183.95241 5.45905 2.16298 -182.78261 553.74665
6940.0000 -188.16728 -183.42699 4.74029 2.13089 -183.35329 540.96104
6945.0000 -188.13373 -182.95286 5.18087 2.16995 -182.65867 576.15730
6950.0000 -187.19000 -182.60541 4.58458 2.16576 -182.73304 556.43208
6955.0000 -188.04629 -182.72369 5.32259 2.18537 -182.38440 551.73304
6960.0000 -188.69893 -183.54719 5.15174 2.13353 -183.30622 526.45878
6965.0000 -189.11962 -183.18995 5.92967 2.12091 -183.53082 519.53896
6970.0000 -189.09965 -184.19635 4.90330 2.12076 -183.53338 537.10361
6975.0000 -190.08340 -185.03260 5.05081 2.08140 -184.23342 494.36611
6980.0000 -188.73687 -183.54209 5.19478 2.09491 -183.99315 507.41821
6985.0000 -189.08589 -184.12910 4.95680 2.11597 -183.61864 496.78866
6990.0000 -188.82891 -183.54106 5.28786 2.10994 -183.72584 505.89297
6995.0000 -187.22841 -182.72641 4.50200 2.15856 -182.86110 549.15525
7000.0000 -188.77653 -182.89674 5.87979 2.15903 -182.85282 549.82082
FREEZING PROCESS: loop number 29 T-loop= 526.00000000000000
main_MD> interactions number 29 at Temperature= 526.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05051 2.05321 -0.31524
force_rgl> df(natom) 3.87790 -1.47105 0.83871
7005.0000 -188.06382 -182.66024 5.40358 2.13221 -183.32972 528.38443
7010.0000 -187.73115 -183.00529 4.72586 2.13779 -183.23046 538.23983
7015.0000 -188.70226 -183.84038 4.86189 2.13641 -183.25501 550.12563
7020.0000 -187.63413 -183.27767 4.35646 2.10356 -183.83929 515.68207
7025.0000 -187.48735 -181.59720 5.89015 2.18052 -182.47067 561.68571
7030.0000 -188.13367 -183.02785 5.10582 2.20821 -181.97815 567.37515
7035.0000 -188.08021 -183.18813 4.89208 2.15029 -183.00820 525.64250
7040.0000 -188.55744 -183.90911 4.64833 2.10218 -183.86382 507.11008
7045.0000 -188.87468 -183.67669 5.19799 2.11503 -183.63531 510.75824
7050.0000 -187.71489 -182.43989 5.27500 2.14203 -183.15520 527.11475
7055.0000 -188.09017 -183.67802 4.41215 2.15690 -182.89064 528.03864
7060.0000 -188.56792 -183.92368 4.64425 2.11295 -183.67234 512.07504
7065.0000 -189.07522 -184.35686 4.71836 2.10994 -183.72576 519.92298
7070.0000 -188.39851 -184.26275 4.13576 2.06923 -184.44981 479.77688
7075.0000 -188.02163 -182.56515 5.45648 2.11828 -183.57751 506.32181
7080.0000 -189.38461 -184.31099 5.07362 2.14933 -183.02530 572.16526
7085.0000 -188.82918 -183.41597 5.41320 2.13380 -183.30155 545.41963
7090.0000 -189.21368 -184.13814 5.07554 2.11058 -183.71454 514.63774
7095.0000 -188.97810 -184.16478 4.81332 2.07479 -184.35094 506.96313
7100.0000 -189.21374 -184.80361 4.41012 2.08940 -184.09115 505.65872
7105.0000 -189.12749 -184.48518 4.64231 2.06638 -184.50052 486.34425
7110.0000 -188.90014 -183.54133 5.35880 2.10089 -183.88680 516.31687
7115.0000 -189.31450 -183.71663 5.59787 2.09740 -183.94890 511.38193
7120.0000 -187.98705 -183.29478 4.69227 2.09194 -184.04598 508.62846
7125.0000 -188.44042 -183.09172 5.34870 2.15522 -182.92050 533.71275
7130.0000 -188.62369 -183.02206 5.60163 2.12042 -183.53948 520.36877
7135.0000 -188.35422 -183.07138 5.28285 2.14018 -183.18800 542.48498
7140.0000 -188.04809 -182.65782 5.39027 2.15913 -182.85111 564.76866
7145.0000 -187.57680 -182.42290 5.15390 2.18842 -182.33010 578.58622
7150.0000 -188.02650 -182.60729 5.41922 2.17470 -182.57404 566.28682
7155.0000 -187.70850 -182.54616 5.16233 2.15616 -182.90391 540.42873
7160.0000 -187.10052 -181.58257 5.51795 2.22303 -181.71464 579.46056
7165.0000 -188.56035 -183.06103 5.49932 2.22402 -181.69691 592.68425
7170.0000 -189.11760 -183.38292 5.73468 2.13551 -183.27108 532.45113
7175.0000 -189.96974 -185.48961 4.48012 2.06199 -184.57857 498.01306
7180.0000 -190.22791 -185.60246 4.62545 2.01626 -185.39195 460.11938
7185.0000 -189.25652 -184.25626 5.00027 2.04796 -184.82814 465.45121
7190.0000 -189.37880 -184.03047 5.34833 2.08376 -184.19149 499.70612
7195.0000 -188.62219 -184.29488 4.32730 2.08913 -184.09599 499.56651
7200.0000 -188.52281 -184.03320 4.48961 2.08471 -184.17451 501.23431
7205.0000 -189.13269 -183.45178 5.68091 2.11046 -183.71651 514.55289
7210.0000 -187.69098 -182.18558 5.50540 2.14297 -183.13842 524.09586
7215.0000 -188.02722 -182.90374 5.12348 2.16997 -182.65830 569.51895
7220.0000 -188.12757 -184.10810 4.01947 2.12870 -183.39221 527.63836
7225.0000 -188.25380 -183.27337 4.98043 2.11414 -183.65112 511.55168
7230.0000 -187.94372 -183.57647 4.36725 2.14044 -183.18348 531.22074
7235.0000 -187.78881 -182.93384 4.85497 2.14819 -183.04568 512.09190
7240.0000 -188.63207 -183.26451 5.36756 2.15120 -182.99198 545.38936
7245.0000 -187.93374 -182.98595 4.94779 2.14386 -183.12265 521.92603
7250.0000 -188.23242 -182.88516 5.34726 2.17747 -182.52485 548.31650
FREEZING PROCESS: loop number 30 T-loop= 501.00000000000000
main_MD> interactions number 30 at Temperature= 501.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.51351 -0.61196 -0.80249
force_rgl> df(natom) 2.53074 -1.78603 -0.44297
7255.0000 -188.60446 -183.79001 4.81445 2.12753 -183.41300 523.57763
7260.0000 -189.25662 -184.25110 5.00552 2.08491 -184.17092 499.97639
7265.0000 -189.40590 -184.50557 4.90032 2.06152 -184.58690 500.20985
7270.0000 -189.10437 -184.89857 4.20580 2.06393 -184.54419 485.35589
7275.0000 -188.61060 -184.67919 3.93141 2.04188 -184.93628 465.51811
7280.0000 -189.61341 -185.13420 4.47922 2.05104 -184.77335 490.44124
7285.0000 -189.85808 -184.62017 5.23792 2.06947 -184.44556 529.46172
7290.0000 -190.44061 -185.23727 5.20334 2.03383 -185.07944 497.84548
7295.0000 -190.68470 -186.09815 4.58655 2.02602 -185.21826 503.39064
7300.0000 -190.82551 -186.11929 4.70622 1.98041 -186.02943 491.75608
7305.0000 -190.71835 -186.01039 4.70796 1.97080 -186.20030 493.83814
7310.0000 -190.39510 -185.52951 4.86558 2.02946 -185.15710 534.13712
7315.0000 -191.02354 -184.62185 6.40169 2.03206 -185.11085 552.97144
7320.0000 -190.91226 -185.89214 5.02012 2.02166 -185.29593 527.79409
7325.0000 -191.61798 -186.87573 4.74225 1.97972 -186.04181 500.06337
7330.0000 -191.28315 -186.93328 4.34988 1.92388 -187.03485 456.84074
7335.0000 -190.72727 -185.13254 5.59473 1.95453 -186.48972 479.14030
7340.0000 -190.60007 -186.01398 4.58610 1.98324 -185.97921 500.96549
7345.0000 -190.74124 -185.97133 4.76991 2.01047 -185.49479 521.56110
7350.0000 -190.14700 -185.14145 5.00555 1.99730 -185.72916 512.53197
7355.0000 -190.73464 -185.50111 5.23353 2.01806 -185.35991 533.59539
7360.0000 -191.03493 -185.76665 5.26828 1.98782 -185.89775 506.12965
7365.0000 -191.84117 -187.27517 4.56600 1.95660 -186.45285 486.49402
7370.0000 -191.92584 -187.98778 3.93806 1.90569 -187.35837 443.55173
7375.0000 -190.79761 -186.09151 4.70610 1.92911 -186.94186 462.70516
7380.0000 -190.66502 -185.70691 4.95811 1.99887 -185.70108 506.28624
7385.0000 -191.11799 -186.11067 5.00732 1.98244 -185.99338 493.65824
7390.0000 -191.54134 -186.28579 5.25555 1.97011 -186.21259 499.77978
7395.0000 -191.10444 -186.74223 4.36221 1.96568 -186.29142 487.14443
7400.0000 -191.70382 -186.27780 5.42602 1.97166 -186.18516 492.28307
7405.0000 -191.04179 -186.89171 4.15008 1.95341 -186.50967 476.41945
7410.0000 -190.75646 -185.94687 4.80959 1.96124 -186.37044 484.98737
7415.0000 -189.91366 -185.36844 4.54522 1.98759 -185.90173 501.60227
7420.0000 -190.82652 -185.13031 5.69620 2.01692 -185.38009 527.84791
7425.0000 -190.96787 -185.99024 4.97763 2.01464 -185.42075 525.25775
7430.0000 -189.18510 -183.92457 5.26053 2.02563 -185.22521 525.74460
7435.0000 -189.13166 -184.45040 4.68127 2.07093 -184.41963 525.19605
7440.0000 -190.46930 -185.39108 5.07821 2.04208 -184.93262 506.48835
7445.0000 -189.27975 -184.42574 4.85401 2.05135 -184.76782 504.96005
7450.0000 -189.53566 -185.30272 4.23294 2.02869 -185.17075 477.17070
7455.0000 -189.49805 -184.81931 4.67874 2.07231 -184.39514 511.55584
7460.0000 -190.78859 -185.52209 5.26651 2.01558 -185.40392 480.81685
7465.0000 -189.94779 -184.59929 5.34850 2.02628 -185.21367 490.23932
7470.0000 -189.69796 -185.39136 4.30660 2.04540 -184.87372 489.83674
7475.0000 -189.68479 -184.67809 5.00670 2.00860 -185.52820 453.95227
7480.0000 -188.93680 -184.32041 4.61640 2.08751 -184.12468 508.34248
7485.0000 -189.26426 -184.89001 4.37425 2.06158 -184.58584 507.60280
7490.0000 -188.90231 -184.27275 4.62956 2.05339 -184.73161 499.14985
7495.0000 -190.24000 -185.26922 4.97078 2.02781 -185.18656 487.67838
7500.0000 -190.05643 -185.90172 4.15470 2.00216 -185.64266 458.91178
FREEZING PROCESS: loop number 31 T-loop= 476.00000000000000
main_MD> interactions number 31 at Temperature= 476.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84142 1.75397 -0.30964
force_rgl> df(natom) 4.71081 1.03945 -1.65232
7505.0000 -188.85023 -183.90493 4.94530 2.06618 -184.50413 514.73919
7510.0000 -189.41173 -184.70972 4.70201 2.07847 -184.28561 493.72706
7515.0000 -189.57143 -184.95934 4.61210 2.03514 -185.05621 448.13717
7520.0000 -189.23494 -184.40993 4.82502 2.07013 -184.43377 458.95467
7525.0000 -188.56971 -183.73996 4.82975 2.10505 -183.81283 489.66432
7530.0000 -188.20897 -183.77387 4.43510 2.11764 -183.58889 496.76486
7535.0000 -188.38308 -183.98901 4.39407 2.09214 -184.04241 489.11178
7540.0000 -189.35981 -184.10055 5.25926 2.07704 -184.31101 495.65171
7545.0000 -190.67922 -185.54264 5.13658 2.04812 -184.82526 500.67144
7550.0000 -190.00087 -185.35528 4.64559 2.01365 -185.43836 488.31817
7555.0000 -190.14253 -184.88179 5.26074 2.02883 -185.16838 501.53693
7560.0000 -189.52646 -185.10182 4.42464 2.04691 -184.84688 506.62154
7565.0000 -189.90793 -185.77765 4.13027 2.00382 -185.61307 472.34019
7570.0000 -190.54113 -186.09267 4.44846 2.00796 -185.53945 478.83163
7575.0000 -190.38893 -186.02508 4.36385 2.00002 -185.68070 477.74906
7580.0000 -189.22205 -184.45778 4.76428 2.01714 -185.37626 471.25915
7585.0000 -189.48842 -184.70177 4.78665 2.03290 -185.09588 486.07907
7590.0000 -190.24633 -185.75701 4.48932 2.02500 -185.23639 472.85239
7595.0000 -189.65597 -185.37529 4.28068 2.05028 -184.78679 489.27408
7600.0000 -190.13477 -186.50706 3.62771 1.97861 -186.06152 438.53308
7605.0000 -190.28652 -185.76464 4.52187 2.00745 -185.54861 457.00055
7610.0000 -190.53439 -185.39799 5.13640 2.02228 -185.28476 480.23413
7615.0000 -190.13829 -185.77124 4.36704 2.00329 -185.62259 466.85520
7620.0000 -190.03750 -185.89440 4.14310 1.99653 -185.74274 461.65419
7625.0000 -190.26624 -186.38482 3.88142 1.95464 -186.48780 432.62661
7630.0000 -190.39484 -186.01251 4.38233 1.96317 -186.33603 431.12551
7635.0000 -191.09880 -187.20366 3.89514 1.95279 -186.52068 426.14210
7640.0000 -191.13997 -186.24439 4.89559 1.93168 -186.89608 416.99009
7645.0000 -190.60735 -186.72390 3.88344 1.98395 -185.96658 451.66765
7650.0000 -190.43729 -185.63112 4.80618 1.95956 -186.40035 426.76158
7655.0000 -191.04193 -187.23312 3.80881 1.96415 -186.31861 432.93428
7660.0000 -190.35627 -185.87111 4.48516 1.93837 -186.77714 413.40757
7665.0000 -190.26650 -185.15117 5.11533 2.01624 -185.39233 480.69542
7670.0000 -189.83643 -184.64837 5.18806 2.05127 -184.76922 494.03028
7675.0000 -188.62894 -184.06416 4.56479 2.07654 -184.31980 495.85871
7680.0000 -188.54501 -183.96764 4.57737 2.08079 -184.24432 497.19930
7685.0000 -189.48614 -185.60592 3.88022 2.04667 -184.85101 495.13334
7690.0000 -189.78499 -185.02520 4.75979 2.01798 -185.36136 469.03652
7695.0000 -189.27953 -184.02699 5.25254 2.03225 -185.10756 471.72858
7700.0000 -189.34501 -184.57595 4.76906 2.06924 -184.44969 486.05477
7705.0000 -189.58005 -185.08249 4.49756 2.04237 -184.92759 462.98626
7710.0000 -189.46815 -184.45250 5.01565 2.06428 -184.53794 469.04351
7715.0000 -189.37616 -184.97384 4.40232 2.08694 -184.13492 509.21123
7720.0000 -189.63462 -184.77314 4.86148 2.05598 -184.68555 476.88534
7725.0000 -190.07489 -184.05078 6.02411 2.07361 -184.37191 501.30868
7730.0000 -189.36881 -184.99670 4.37211 2.02964 -185.15396 469.21919
7735.0000 -189.75230 -184.56374 5.18856 2.04383 -184.90159 483.89185
7740.0000 -189.42406 -184.98998 4.43408 2.05602 -184.68478 489.42387
7745.0000 -189.41238 -185.30695 4.10542 2.04909 -184.80808 500.13116
7750.0000 -189.41866 -184.77151 4.64714 2.03939 -184.98054 479.78876
FREEZING PROCESS: loop number 32 T-loop= 451.00000000000000
main_MD> interactions number 32 at Temperature= 451.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.90555 -1.30868 2.78062
force_rgl> df(natom) 0.26532 -1.27891 -1.23292
7755.0000 -189.60742 -184.26818 5.33924 2.05709 -184.66583 508.25119
7760.0000 -189.13686 -184.06086 5.07600 2.08524 -184.16515 536.26139
7765.0000 -189.10193 -184.62218 4.47975 2.06446 -184.53475 495.53093
7770.0000 -190.07725 -185.47520 4.60205 2.05018 -184.78868 476.77546
7775.0000 -189.96003 -185.32460 4.63542 2.00184 -185.64836 435.84969
7780.0000 -189.62090 -184.64041 4.98049 2.02887 -185.16761 467.26192
7785.0000 -189.94669 -185.60914 4.33755 2.03466 -185.06458 469.52834
7790.0000 -189.96145 -185.36317 4.59828 2.01824 -185.35664 458.94184
7795.0000 -189.45112 -184.80461 4.64651 2.03525 -185.05413 464.48732
7800.0000 -190.10199 -185.41528 4.68671 2.02181 -185.29312 456.27884
7805.0000 -189.98288 -185.19010 4.79278 2.03064 -185.13617 468.00362
7810.0000 -189.59215 -185.76605 3.82611 2.00949 -185.51231 468.52615
7815.0000 -190.60690 -185.72157 4.88533 2.00317 -185.62461 435.89994
7820.0000 -190.06691 -185.79087 4.27604 1.99877 -185.70292 444.00784
7825.0000 -190.74005 -186.35610 4.38396 2.01185 -185.47024 452.87286
7830.0000 -190.28115 -185.89285 4.38830 1.98215 -185.99847 429.17631
7835.0000 -190.32168 -185.89645 4.42523 1.98691 -185.91381 447.77171
7840.0000 -190.48193 -186.65128 3.83064 1.98059 -186.02632 443.89955
7845.0000 -190.33195 -186.13616 4.19580 1.95397 -186.49968 415.59431
7850.0000 -190.27786 -185.85690 4.42096 1.98427 -185.96083 452.20469
7855.0000 -190.43984 -185.97512 4.46473 1.99165 -185.82955 439.74037
7860.0000 -189.25927 -185.00032 4.25895 2.00628 -185.56942 450.51728
7865.0000 -189.47607 -184.78719 4.68888 2.04419 -184.89518 479.00234
7870.0000 -189.64548 -184.72031 4.92517 2.06418 -184.53964 507.90302
7875.0000 -189.61337 -185.11804 4.49533 2.05391 -184.72231 476.68308
7880.0000 -190.56691 -185.77825 4.78866 2.01370 -185.43747 461.19216
7885.0000 -191.08367 -185.83869 5.24498 1.97067 -186.20271 455.56025
7890.0000 -190.70750 -186.29984 4.40765 1.96363 -186.32788 466.87233
7895.0000 -190.47587 -186.26434 4.21153 1.95338 -186.51027 455.28580
7900.0000 -190.54347 -186.41333 4.13014 1.95196 -186.53546 439.24561
7905.0000 -190.74424 -186.45492 4.28932 1.96129 -186.36959 448.48035
7910.0000 -190.43007 -186.18387 4.24620 1.96782 -186.25335 450.82632
7915.0000 -190.38053 -185.29469 5.08583 1.98959 -185.86614 460.52284
7920.0000 -190.09465 -185.43214 4.66251 2.03241 -185.10468 485.49799
7925.0000 -190.62824 -185.41308 5.21516 2.00708 -185.55523 479.13483
7930.0000 -189.75371 -185.20510 4.54861 2.00969 -185.50869 482.49989
7935.0000 -189.81766 -184.13112 5.68655 2.05971 -184.61916 514.15691
7940.0000 -189.80811 -185.31773 4.49038 2.08785 -184.11866 519.29232
7945.0000 -189.18612 -184.87035 4.31576 2.02777 -185.18718 463.23779
7950.0000 -188.88571 -184.72244 4.16327 2.04982 -184.79508 489.51244
7955.0000 -188.88077 -184.74107 4.13969 2.08093 -184.24173 499.34262
7960.0000 -189.95230 -185.24531 4.70699 2.02072 -185.31262 455.81122
7965.0000 -189.18787 -185.14811 4.03976 2.02244 -185.28204 479.69854
7970.0000 -190.76671 -186.85131 3.91541 1.99503 -185.76953 461.31625
7975.0000 -190.44000 -186.18662 4.25338 1.95784 -186.43089 426.88762
7980.0000 -189.67145 -185.65895 4.01251 1.98380 -185.96920 448.00664
7985.0000 -191.05420 -186.03787 5.01634 1.98153 -186.00952 461.51097
7990.0000 -191.23319 -186.22476 5.00843 1.99770 -185.72195 495.81311
7995.0000 -191.69420 -188.04443 3.64976 1.91143 -187.25626 430.54854
8000.0000 -191.94589 -187.54629 4.39960 1.88587 -187.71086 415.88955
FREEZING PROCESS: loop number 33 T-loop= 426.00000000000000
main_MD> interactions number 33 at Temperature= 426.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.95682 0.52721 -4.35631
force_rgl> df(natom) -0.06376 -0.46390 -0.64732
8005.0000 -190.94103 -186.87091 4.07012 1.91671 -187.16229 436.84919
8010.0000 -191.23054 -186.64102 4.58952 1.93635 -186.81310 450.41209
8015.0000 -191.74893 -187.49896 4.24997 1.93873 -186.77080 466.33547
8020.0000 -191.44847 -187.70160 3.74687 1.91074 -187.26852 439.67780
8025.0000 -191.06580 -186.99572 4.07008 1.91317 -187.22535 444.09025
8030.0000 -190.80414 -186.97878 3.82537 1.91561 -187.18188 446.23463
8035.0000 -192.38259 -187.52209 4.86050 1.90375 -187.39279 432.83598
8040.0000 -192.19148 -187.65710 4.53438 1.87473 -187.90884 411.96241
8045.0000 -192.34582 -188.17226 4.17357 1.86960 -188.00022 404.64530
8050.0000 -191.72260 -188.75164 2.97096 1.85593 -188.24323 393.83064
8055.0000 -191.91830 -188.20878 3.70952 1.84049 -188.51786 387.24759
8060.0000 -191.88115 -187.88813 3.99302 1.87783 -187.85376 418.75985
8065.0000 -192.44901 -187.85469 4.59432 1.85779 -188.21016 401.43382
8070.0000 -191.91285 -187.48800 4.42485 1.87956 -187.82297 416.07393
8075.0000 -191.41850 -187.10105 4.31745 1.90566 -187.35878 433.88935
8080.0000 -191.10958 -187.36294 3.74664 1.92376 -187.03696 449.41851
8085.0000 -191.72161 -187.21356 4.50805 1.90832 -187.31161 432.33182
8090.0000 -192.01977 -187.70258 4.31719 1.91838 -187.13263 448.06381
8095.0000 -192.12734 -187.08322 5.04412 1.91047 -187.27327 445.84359
8100.0000 -191.92963 -187.66989 4.25974 1.88874 -187.65983 426.69862
8105.0000 -191.47416 -187.20315 4.27100 1.92917 -186.94073 457.27049
8110.0000 -191.25321 -186.91346 4.33975 1.91606 -187.17393 449.55370
8115.0000 -191.66118 -187.62983 4.03135 1.89752 -187.50369 432.42331
8120.0000 -191.39782 -188.06895 3.32887 1.86447 -188.09136 404.70451
8125.0000 -192.28780 -188.37691 3.91089 1.86578 -188.06813 403.34869
8130.0000 -191.98357 -187.73272 4.25085 1.88527 -187.72148 419.71166
8135.0000 -191.54353 -187.86744 3.67609 1.89448 -187.55767 431.16705
8140.0000 -191.82976 -187.85072 3.97905 1.85776 -188.21068 399.66888
8145.0000 -191.63694 -187.38484 4.25210 1.88328 -187.75680 416.88619
8150.0000 -191.80310 -187.03724 4.76586 1.91438 -187.20378 445.85161
8155.0000 -192.26601 -188.09841 4.16761 1.91730 -187.15191 452.49445
8160.0000 -192.10260 -187.94949 4.15311 1.87853 -187.84128 412.34113
8165.0000 -191.05997 -187.41286 3.64711 1.87758 -187.85826 414.31237
8170.0000 -191.12829 -186.48031 4.64798 1.93892 -186.76737 461.53208
8175.0000 -192.02833 -188.11109 3.91724 1.90527 -187.36571 435.46549
8180.0000 -192.39289 -188.92258 3.47031 1.84535 -188.43136 389.54630
8185.0000 -192.03413 -188.43274 3.60139 1.84456 -188.44556 384.25046
8190.0000 -190.95748 -187.12548 3.83200 1.86991 -187.99457 406.66191
8195.0000 -192.05325 -187.74368 4.30957 1.90196 -187.42463 437.93521
8200.0000 -191.98007 -187.53443 4.44564 1.87553 -187.89476 408.99985
8205.0000 -192.20211 -188.27589 3.92622 1.88672 -187.69564 422.13160
8210.0000 -191.79790 -188.12901 3.66889 1.86531 -188.07647 403.88626
8215.0000 -191.32382 -187.41156 3.91225 1.88186 -187.78208 418.05228
8220.0000 -191.82215 -187.96445 3.85770 1.88022 -187.81120 414.71686
8225.0000 -191.80207 -187.73818 4.06389 1.90757 -187.32483 441.38609
8230.0000 -190.83491 -186.76412 4.07079 1.91352 -187.21899 442.61434
8235.0000 -191.57955 -187.10669 4.47286 1.92490 -187.01674 449.73202
8240.0000 -191.41719 -186.21731 5.19988 1.93746 -186.79329 459.60499
8245.0000 -191.57916 -187.53067 4.04849 1.91723 -187.15300 444.98837
8250.0000 -191.93994 -187.86495 4.07499 1.88173 -187.78452 418.02185
FREEZING PROCESS: loop number 34 T-loop= 401.00000000000000
main_MD> interactions number 34 at Temperature= 401.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.80461 0.37539 1.22406
force_rgl> df(natom) 0.19807 0.66809 -1.48408
8255.0000 -191.71786 -187.54482 4.17304 1.88441 -187.73669 424.84546
8260.0000 -192.28934 -188.09889 4.19046 1.87807 -187.84956 415.69330
8265.0000 -192.19524 -187.72288 4.47236 1.87531 -187.89865 415.42690
8270.0000 -191.85713 -188.12074 3.73639 1.86731 -188.04083 406.08584
8275.0000 -191.98806 -187.56959 4.41848 1.86066 -188.15908 399.64981
8280.0000 -191.35001 -187.87102 3.47900 1.88929 -187.64992 426.50687
8285.0000 -192.93702 -189.12752 3.80951 1.84505 -188.43671 387.16760
8290.0000 -192.30298 -188.88651 3.41647 1.84116 -188.50595 381.28466
8295.0000 -192.28015 -188.56997 3.71017 1.83132 -188.68086 375.57112
8300.0000 -191.85561 -188.74143 3.11418 1.83273 -188.65581 378.31287
8305.0000 -192.30949 -188.68974 3.61975 1.82804 -188.73921 373.67967
8310.0000 -192.47818 -188.58281 3.89537 1.83544 -188.60773 383.85430
8315.0000 -192.08081 -188.64952 3.43129 1.82841 -188.73266 369.81396
8320.0000 -191.57004 -187.84696 3.72308 1.85521 -188.25615 402.22765
8325.0000 -191.75216 -187.81314 3.93902 1.85043 -188.34115 392.25508
8330.0000 -192.35383 -188.65646 3.69736 1.82848 -188.73152 376.36578
8335.0000 -192.44014 -188.95771 3.48243 1.83514 -188.61301 381.76018
8340.0000 -192.12828 -189.00351 3.12477 1.80907 -189.07665 355.09249
8345.0000 -192.56613 -188.12568 4.44045 1.84121 -188.50509 386.52916
8350.0000 -192.25138 -187.51993 4.73145 1.89270 -187.58940 431.43036
8355.0000 -192.05627 -188.01428 4.04199 1.87848 -187.84223 423.35855
8360.0000 -192.31711 -187.33061 4.98650 1.88202 -187.77931 421.86882
8365.0000 -191.88586 -187.53423 4.35163 1.89573 -187.53544 430.95008
8370.0000 -191.69023 -187.17711 4.51312 1.89032 -187.63175 419.69057
8375.0000 -191.54000 -187.03482 4.50518 1.92364 -187.03917 450.15143
8380.0000 -191.99667 -188.33681 3.65986 1.87292 -187.94105 410.22407
8385.0000 -192.02492 -187.97437 4.05055 1.85445 -188.26951 396.02976
8390.0000 -193.24638 -188.53624 4.71014 1.84921 -188.36287 394.38514
8395.0000 -191.85406 -187.94730 3.90676 1.85277 -188.29942 396.09761
8400.0000 -192.32453 -188.66385 3.66068 1.84997 -188.34929 392.14343
8405.0000 -192.60535 -188.88397 3.72138 1.82297 -188.82938 370.74143
8410.0000 -193.07246 -188.80368 4.26878 1.82516 -188.79054 378.06144
8415.0000 -192.61785 -188.77305 3.84479 1.83291 -188.65260 377.19054
8420.0000 -192.35939 -189.04204 3.31734 1.81612 -188.95130 362.89921
8425.0000 -192.31127 -188.63608 3.67518 1.84237 -188.48443 385.89940
8430.0000 -191.73392 -188.10371 3.63021 1.85249 -188.30439 394.53789
8435.0000 -191.87251 -187.42248 4.45003 1.86949 -188.00203 409.29841
8440.0000 -191.89597 -188.02063 3.87534 1.85299 -188.29553 395.75523
8445.0000 -192.45367 -188.26258 4.19109 1.85245 -188.30518 395.68844
8450.0000 -191.89404 -187.56178 4.33226 1.87245 -187.94941 407.31756
8455.0000 -191.63933 -187.29052 4.34881 1.88310 -187.76001 421.71091
8460.0000 -191.69148 -187.61112 4.08036 1.90188 -187.42613 433.74543
8465.0000 -192.04353 -188.35503 3.68851 1.85938 -188.18190 398.45005
8470.0000 -191.76184 -188.23447 3.52737 1.86347 -188.10922 401.62811
8475.0000 -191.47843 -187.52396 3.95447 1.86835 -188.02230 405.61277
8480.0000 -192.31561 -188.48681 3.82879 1.87925 -187.82857 415.21941
8485.0000 -192.50041 -188.44172 4.05869 1.84904 -188.36573 389.78430
8490.0000 -191.17604 -187.74881 3.42723 1.84883 -188.36953 391.91693
8495.0000 -192.04576 -188.84517 3.20059 1.85067 -188.33689 391.72388
8500.0000 -191.79893 -188.48553 3.31339 1.80146 -189.21197 353.55076
FREEZING PROCESS: loop number 35 T-loop= 376.00000000000000
main_MD> interactions number 35 at Temperature= 376.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.69424 -0.89048 -1.27735
force_rgl> df(natom) 1.44826 -1.83677 -0.12239
8505.0000 -192.52382 -189.52726 2.99656 1.80689 -189.11545 356.58330
8510.0000 -192.52256 -189.37965 3.14291 1.78289 -189.54218 335.07035
8515.0000 -192.50634 -188.83016 3.67618 1.81962 -188.88900 363.88774
8520.0000 -192.23991 -188.60540 3.63452 1.84196 -188.49172 385.32515
8525.0000 -192.62596 -189.27556 3.35041 1.80507 -189.14778 354.43564
8530.0000 -192.50038 -188.46677 4.03361 1.81529 -188.96600 365.39481
8535.0000 -192.23240 -188.13693 4.09547 1.84938 -188.35982 393.12025
8540.0000 -192.25532 -188.43865 3.81667 1.85928 -188.18377 403.77987
8545.0000 -192.31174 -188.64533 3.66641 1.84555 -188.42789 390.64143
8550.0000 -192.14270 -188.71516 3.42754 1.81263 -189.01343 362.56096
8555.0000 -192.03500 -188.40229 3.63271 1.83987 -188.52896 386.44849
8560.0000 -192.65104 -189.05298 3.59806 1.82875 -188.72664 373.27112
8565.0000 -192.12841 -188.41416 3.71425 1.83045 -188.69641 378.61741
8570.0000 -192.09186 -188.68461 3.40725 1.83054 -188.69474 378.02280
8575.0000 -192.62943 -189.02758 3.60185 1.82593 -188.77687 374.18672
8580.0000 -192.47114 -189.11943 3.35171 1.82216 -188.84379 365.43413
8585.0000 -192.56337 -189.03405 3.52933 1.81257 -189.01443 362.37686
8590.0000 -192.40454 -188.65693 3.74762 1.84443 -188.44786 386.09443
8595.0000 -192.33037 -188.75648 3.57389 1.82396 -188.81181 372.59864
8600.0000 -192.34042 -188.14731 4.19311 1.83521 -188.61179 378.31489
8605.0000 -192.20029 -188.13994 4.06035 1.85734 -188.21828 396.95049
8610.0000 -192.43505 -188.56567 3.86939 1.84802 -188.38396 389.28098
8615.0000 -192.67270 -189.02938 3.64332 1.82370 -188.81646 368.43507
8620.0000 -192.40829 -188.94727 3.46102 1.81599 -188.95354 360.54557
8625.0000 -193.26020 -190.06636 3.19384 1.79650 -189.30014 345.23835
8630.0000 -193.01000 -189.30937 3.70063 1.77831 -189.62376 334.21833
8635.0000 -192.27440 -188.10219 4.17221 1.83855 -188.55233 381.46603
8640.0000 -191.77199 -188.13331 3.63868 1.84278 -188.47721 387.26266
8645.0000 -192.00792 -188.26726 3.74066 1.86993 -187.99429 411.90923
8650.0000 -191.69152 -188.14732 3.54420 1.83961 -188.53355 385.51542
8655.0000 -191.36052 -188.00103 3.35949 1.87025 -187.98852 408.14707
8660.0000 -191.88447 -188.08757 3.79690 1.86545 -188.07401 406.00007
8665.0000 -192.32859 -188.44919 3.87941 1.87156 -187.96537 407.43771
8670.0000 -192.21713 -188.43299 3.78414 1.85051 -188.33965 391.27529
8675.0000 -191.25624 -187.03889 4.21734 1.85700 -188.22425 395.94433
8680.0000 -192.58118 -189.27655 3.30463 1.86244 -188.12745 401.58388
8685.0000 -192.36081 -188.84145 3.51936 1.83030 -188.69907 375.80329
8690.0000 -192.55413 -188.51293 4.04120 1.82617 -188.77253 377.71093
8695.0000 -192.75662 -188.41795 4.33867 1.85591 -188.24354 403.07551
8700.0000 -192.14926 -188.41902 3.73025 1.85342 -188.28788 395.74430
8705.0000 -191.48063 -188.30976 3.17087 1.85124 -188.32676 393.62537
8710.0000 -192.59429 -188.93487 3.65942 1.81841 -188.91052 365.33252
8715.0000 -193.35844 -189.70729 3.65115 1.79758 -189.28104 350.58904
8720.0000 -192.86210 -188.95659 3.90551 1.80399 -189.16697 354.94854
8725.0000 -192.52889 -188.76527 3.76361 1.83007 -188.70314 375.56095
8730.0000 -192.14577 -188.11834 4.02744 1.87049 -187.98435 407.61791
8735.0000 -191.90913 -188.70196 3.20717 1.84083 -188.51185 384.49505
8740.0000 -192.53081 -189.20579 3.32502 1.82532 -188.78772 373.42705
8745.0000 -192.50336 -188.50957 3.99380 1.82982 -188.70755 379.39138
8750.0000 -191.07261 -187.77601 3.29660 1.88051 -187.80606 414.91037
FREEZING PROCESS: loop number 36 T-loop= 351.00000000000000
main_MD> interactions number 36 at Temperature= 351.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.75290 0.26420 1.99404
force_rgl> df(natom) -0.54790 0.54724 0.06445
8755.0000 -193.17048 -189.23111 3.93937 1.83694 -188.58105 377.98577
8760.0000 -192.40319 -189.17448 3.22871 1.79071 -189.40315 342.04138
8765.0000 -192.40705 -189.24364 3.16341 1.80695 -189.11443 360.06929
8770.0000 -192.66337 -189.39135 3.27202 1.79977 -189.24197 349.01660
8775.0000 -192.68830 -189.56070 3.12760 1.80779 -189.09943 355.25292
8780.0000 -192.85005 -189.57397 3.27608 1.79342 -189.35492 345.11212
8785.0000 -193.09935 -189.30664 3.79271 1.78734 -189.46319 341.73539
8790.0000 -193.06875 -189.71153 3.35722 1.80033 -189.23213 349.52212
8795.0000 -192.78618 -189.54555 3.24063 1.79046 -189.40765 343.07194
8800.0000 -192.44387 -189.66401 2.77986 1.78560 -189.49408 337.18230
8805.0000 -192.87652 -189.39891 3.47761 1.77372 -189.70535 327.13913
8810.0000 -193.21464 -189.10097 4.11367 1.80111 -189.21825 351.15147
8815.0000 -192.56755 -189.48193 3.08562 1.81204 -189.02387 359.96395
8820.0000 -192.45264 -189.02715 3.42548 1.80236 -189.19608 352.00324
8825.0000 -192.12473 -189.24302 2.88171 1.80670 -189.11881 358.17103
8830.0000 -192.40790 -188.85135 3.55656 1.80356 -189.17459 351.78429
8835.0000 -192.97205 -189.18783 3.78422 1.80683 -189.11655 357.06803
8840.0000 -192.07974 -188.29357 3.78617 1.83619 -188.59434 379.51797
8845.0000 -192.14870 -188.55584 3.59285 1.82163 -188.85331 368.03590
8850.0000 -192.74818 -188.88837 3.85982 1.81815 -188.91513 364.89683
8855.0000 -192.83514 -189.37657 3.45856 1.80558 -189.13865 359.51502
8860.0000 -192.53396 -189.40606 3.12790 1.78812 -189.44921 338.46119
8865.0000 -192.70281 -189.17247 3.53035 1.80702 -189.11306 357.39556
8870.0000 -192.99492 -189.14877 3.84615 1.81709 -188.93411 363.05260
8875.0000 -192.70689 -189.29172 3.41517 1.79791 -189.27510 349.82896
8880.0000 -192.96427 -189.37953 3.58474 1.79172 -189.38530 347.91401
8885.0000 -193.03903 -189.93399 3.10504 1.78228 -189.55317 334.77982
8890.0000 -192.58765 -189.49562 3.09203 1.77750 -189.63816 329.48007
8895.0000 -192.65786 -189.45205 3.20581 1.78266 -189.54630 335.05789
8900.0000 -192.34261 -188.96062 3.38199 1.80155 -189.21032 350.13656
8905.0000 -192.09124 -188.80382 3.28742 1.80790 -189.09745 355.84696
8910.0000 -191.97626 -188.47707 3.49919 1.82507 -188.79214 371.76917
8915.0000 -191.93253 -188.35040 3.58213 1.84966 -188.35473 394.24290
8920.0000 -191.76604 -188.60244 3.16360 1.81789 -188.91975 365.47080
8925.0000 -192.41383 -188.84406 3.56977 1.81762 -188.92461 363.69125
8930.0000 -192.38554 -188.93334 3.45220 1.81368 -188.99465 361.96504
8935.0000 -192.59032 -188.79385 3.79647 1.81964 -188.88859 367.32727
8940.0000 -192.78856 -189.53721 3.25134 1.80040 -189.23086 351.29616
8945.0000 -192.67430 -189.54166 3.13264 1.78939 -189.42673 341.08272
8950.0000 -193.24970 -190.28833 2.96137 1.75197 -190.09223 309.21735
8955.0000 -193.07654 -190.20611 2.87043 1.74678 -190.18446 303.95226
8960.0000 -193.06514 -189.51583 3.54931 1.76307 -189.89476 319.39967
8965.0000 -192.13630 -189.12548 3.01081 1.80709 -189.11190 359.84648
8970.0000 -192.29633 -189.11170 3.18463 1.81024 -189.05582 357.40072
8975.0000 -192.85540 -189.09600 3.75940 1.79995 -189.23886 348.22366
8980.0000 -192.45064 -189.27256 3.17808 1.77730 -189.64165 330.78244
8985.0000 -192.43459 -188.90532 3.52927 1.80127 -189.21530 349.56145
8990.0000 -192.26037 -189.08795 3.17242 1.79147 -189.38964 342.54946
8995.0000 -192.68738 -189.74061 2.94677 1.78594 -189.48797 339.89358
9000.0000 -192.92445 -189.43515 3.48930 1.78453 -189.51303 338.44828
FREEZING PROCESS: loop number 37 T-loop= 326.00000000000000
main_MD> interactions number 37 at Temperature= 326.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44665 1.32605 -0.27155
force_rgl> df(natom) -0.79258 -0.13849 -3.84399
9005.0000 -193.02836 -189.90068 3.12767 1.75973 -189.95408 317.94915
9010.0000 -192.92707 -189.77579 3.15128 1.77408 -189.69888 327.21898
9015.0000 -192.89690 -189.68086 3.21605 1.77762 -189.63599 329.14919
9020.0000 -192.84736 -189.80985 3.03751 1.76846 -189.79892 326.58271
9025.0000 -192.89015 -189.12034 3.76981 1.79193 -189.38146 343.98163
9030.0000 -192.99175 -189.82203 3.16973 1.79714 -189.28889 349.69780
9035.0000 -193.35467 -190.40285 2.95182 1.73525 -190.38946 296.31566
9040.0000 -192.88995 -189.95569 2.93426 1.75617 -190.01738 314.78122
9045.0000 -193.33398 -190.78578 2.54820 1.75753 -189.99330 310.91086
9050.0000 -193.20458 -190.46131 2.74327 1.71963 -190.66724 279.43551
9055.0000 -193.22961 -190.05063 3.17898 1.74496 -190.21683 300.82869
9060.0000 -192.84067 -189.80219 3.03848 1.76214 -189.91131 318.51742
9065.0000 -192.60360 -189.04464 3.55896 1.78364 -189.52884 334.79689
9070.0000 -192.40375 -189.67481 2.72893 1.78163 -189.56460 332.65725
9075.0000 -192.47341 -189.61584 2.85758 1.76267 -189.90191 319.56302
9080.0000 -192.89636 -189.86616 3.03019 1.78084 -189.57876 335.06420
9085.0000 -193.44327 -189.90877 3.53450 1.76178 -189.91773 315.20064
9090.0000 -192.82475 -190.01351 2.81124 1.76234 -189.90776 314.47406
9095.0000 -193.20051 -190.22074 2.97977 1.76067 -189.93749 318.35823
9100.0000 -192.87391 -190.01060 2.86330 1.75089 -190.11132 308.36831
9105.0000 -192.47156 -189.39356 3.07800 1.76230 -189.90841 319.77320
9110.0000 -192.56367 -189.55720 3.00648 1.77315 -189.71546 325.04310
9115.0000 -192.71193 -189.70323 3.00870 1.76993 -189.77266 324.46871
9120.0000 -193.12190 -189.91444 3.20745 1.78279 -189.54402 332.68926
9125.0000 -193.30161 -190.44064 2.86097 1.76596 -189.84328 321.78554
9130.0000 -192.69440 -189.30108 3.39332 1.76589 -189.84462 321.91039
9135.0000 -192.93200 -189.95919 2.97280 1.76228 -189.90873 319.94490
9140.0000 -193.02862 -190.13752 2.89110 1.75934 -189.96102 315.48182
9145.0000 -192.84104 -189.71112 3.12993 1.76799 -189.80727 320.61350
9150.0000 -192.83487 -189.83355 3.00132 1.77847 -189.62094 333.59102
9155.0000 -193.11307 -189.90060 3.21247 1.77049 -189.76277 325.14530
9160.0000 -192.77180 -189.49694 3.27486 1.77653 -189.65531 333.65052
9165.0000 -192.55703 -189.29777 3.25926 1.80289 -189.18658 352.38896
9170.0000 -192.54667 -188.94081 3.60586 1.79798 -189.27391 349.05172
9175.0000 -192.96767 -189.71234 3.25534 1.78058 -189.58342 335.18499
9180.0000 -193.17179 -189.57888 3.59291 1.77799 -189.62945 333.57050
9185.0000 -193.30125 -190.52268 2.77858 1.75327 -190.06909 313.14636
9190.0000 -193.11099 -190.61201 2.49898 1.73267 -190.43543 299.30885
9195.0000 -192.63258 -189.67670 2.95588 1.74826 -190.15811 306.64141
9200.0000 -192.14748 -188.73760 3.40988 1.80283 -189.18758 352.82700
9205.0000 -192.43805 -189.10258 3.33547 1.81745 -188.92755 366.25780
9210.0000 -192.66684 -189.17923 3.48761 1.80097 -189.22065 352.62359
9215.0000 -193.28021 -190.13635 3.14385 1.76524 -189.85617 318.71561
9220.0000 -192.90605 -190.07923 2.82682 1.77049 -189.76272 325.29439
9225.0000 -192.39829 -189.23057 3.16772 1.77407 -189.69908 328.26852
9230.0000 -192.56951 -189.28390 3.28561 1.79452 -189.33537 348.27307
9235.0000 -193.00052 -189.73117 3.26936 1.76343 -189.88828 320.12537
9240.0000 -192.82204 -189.83210 2.98994 1.76225 -189.90935 317.49398
9245.0000 -192.96075 -189.32092 3.63983 1.78771 -189.45660 340.28713
9250.0000 -192.87830 -189.69891 3.17939 1.78836 -189.44500 340.76177
FREEZING PROCESS: loop number 38 T-loop= 301.00000000000000
main_MD> interactions number 38 at Temperature= 301.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02013 0.96563 0.26018
force_rgl> df(natom) 0.01300 -1.75832 -0.40200
9255.0000 -192.98809 -189.78481 3.20328 1.76463 -189.86702 319.84307
9260.0000 -193.01352 -190.43527 2.57825 1.75934 -189.96113 314.55039
9265.0000 -193.03509 -190.41446 2.62063 1.72421 -190.58592 283.66803
9270.0000 -193.52332 -190.70985 2.81347 1.73883 -190.32587 296.84278
9275.0000 -193.15576 -190.19329 2.96247 1.71998 -190.66107 282.92253
9280.0000 -193.55270 -190.87548 2.67721 1.71997 -190.66126 284.79135
9285.0000 -193.10497 -189.86573 3.23924 1.74793 -190.16396 304.22915
9290.0000 -192.98505 -190.57987 2.40518 1.73940 -190.31568 300.63056
9295.0000 -193.36261 -190.43984 2.92277 1.73436 -190.40536 295.48757
9300.0000 -193.35195 -190.91198 2.43997 1.71283 -190.78820 276.17328
9305.0000 -193.58994 -190.57194 3.01800 1.72784 -190.52120 287.97207
9310.0000 -193.38336 -190.66515 2.71821 1.72856 -190.50850 287.79966
9315.0000 -193.31283 -189.94403 3.36881 1.73348 -190.42092 293.80335
9320.0000 -193.48731 -190.55362 2.93370 1.74490 -190.21786 304.07656
9325.0000 -193.64486 -189.98960 3.65527 1.74624 -190.19411 304.14081
9330.0000 -193.25891 -190.27541 2.98350 1.73905 -190.32198 296.99801
9335.0000 -192.55157 -189.54824 3.00332 1.75669 -190.00816 310.64108
9340.0000 -193.29761 -190.69611 2.60151 1.75424 -190.05186 308.25109
9345.0000 -193.00469 -190.06033 2.94436 1.75838 -189.97819 314.24829
9350.0000 -193.58052 -190.96403 2.61649 1.73596 -190.37688 293.58996
9355.0000 -193.02311 -189.99430 3.02881 1.74380 -190.23745 303.82215
9360.0000 -193.27654 -189.92669 3.34985 1.76604 -189.84196 323.30593
9365.0000 -192.92020 -190.31466 2.60553 1.77228 -189.73089 328.88130
9370.0000 -193.55302 -191.01426 2.53876 1.72832 -190.51282 287.86883
9375.0000 -193.33338 -190.39729 2.93609 1.72308 -190.60594 284.00627
9380.0000 -193.46688 -190.20437 3.26251 1.73193 -190.44864 290.11503
9385.0000 -193.42561 -190.43155 2.99406 1.73693 -190.35961 298.90439
9390.0000 -193.33006 -190.65055 2.67951 1.72364 -190.59598 284.60379
9395.0000 -192.46562 -190.11607 2.34955 1.73071 -190.47026 288.67818
9400.0000 -193.23433 -189.96303 3.27130 1.76210 -189.91193 319.11444
9405.0000 -192.94825 -189.93709 3.01116 1.74344 -190.24387 301.49748
9410.0000 -193.26777 -190.43696 2.83082 1.74521 -190.21229 302.76782
9415.0000 -193.51919 -190.40456 3.11463 1.74061 -190.29423 296.99271
9420.0000 -193.38966 -190.44930 2.94036 1.74450 -190.22504 301.37497
9425.0000 -192.99071 -190.32825 2.66245 1.72314 -190.60488 284.59578
9430.0000 -193.33652 -190.08053 3.25598 1.73387 -190.41396 292.39707
9435.0000 -193.02640 -190.34839 2.67801 1.75929 -189.96189 315.15575
9440.0000 -193.23131 -190.24452 2.98679 1.74221 -190.26567 298.12091
9445.0000 -193.13426 -189.42815 3.70611 1.77476 -189.68676 329.18889
9450.0000 -192.68739 -189.97681 2.71057 1.77071 -189.75887 324.70417
9455.0000 -193.40074 -190.19794 3.20280 1.75312 -190.07173 309.43209
9460.0000 -193.47346 -190.16227 3.31119 1.75537 -190.03176 313.88788
9465.0000 -192.87796 -189.92766 2.95029 1.77008 -189.77009 332.41835
9470.0000 -192.95431 -189.95162 3.00270 1.74888 -190.14719 307.22266
9475.0000 -193.43544 -190.36068 3.07476 1.74250 -190.26053 305.30432
9480.0000 -193.21867 -190.29928 2.91939 1.74192 -190.27094 301.01621
9485.0000 -193.34765 -189.81198 3.53567 1.73716 -190.35553 297.94990
9490.0000 -193.13771 -190.22097 2.91674 1.76130 -189.92615 318.84148
9495.0000 -193.04323 -189.72617 3.31705 1.75445 -190.04811 312.64494
9500.0000 -193.03569 -189.72558 3.31011 1.76843 -189.79942 317.92226
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 9.1154439 [s].
main_MD> Deallocating global variables
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