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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_44/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_44.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 = 44 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: 44 4400
main_MD> Size of nv and nvoiz: 44 4400
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 = 44
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -8.7214723855763316E-004 -0.13775451730170571 -9.7814425886978473E-002 initial drift of cluster / NP1 for coalescence
init> 0.37963250186154957 0.35744030685168943 0.33305608358507643 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8186326018290794E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.79640 -0.47379 3.77407
force_rgl> df(natom) -0.52142 -3.09932 -1.85417
preparo> THERMALIZATION PROCESS AT 1269.4068372526501
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -93.096230109165163 6.6497502285706851 -99.745980337735844 6.4085511257110518E-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= 1240.0000000000000
main_MD> interactions number 1 at Temperature= 1240.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66474 1.64945 0.25908
force_rgl> df(natom) -0.59595 0.53456 -0.41154
5.0000 -100.49128 -93.25381 7.23748 2.93342 -93.23976 1214.27096
10.0000 -100.29914 -92.57623 7.72291 2.86255 -94.12300 1186.99376
15.0000 -101.32994 -94.72642 6.60352 2.86239 -94.12496 1173.18062
20.0000 -102.01869 -95.90834 6.11035 2.74870 -95.54200 1108.91357
25.0000 -101.79220 -94.24539 7.54681 2.88838 -93.80105 1265.33439
30.0000 -100.79619 -94.01957 6.77662 2.76696 -95.31441 1127.52831
35.0000 -100.98699 -92.93164 8.05536 2.99177 -92.51255 1346.56509
40.0000 -98.80509 -92.00651 6.79858 2.99471 -92.47584 1353.13790
45.0000 -100.99650 -91.83707 9.15944 3.04321 -91.87140 1416.58967
50.0000 -100.36738 -94.69223 5.67515 2.90297 -93.61928 1243.65545
55.0000 -100.65817 -94.12336 6.53481 2.84585 -94.33117 1160.27300
60.0000 -101.00753 -94.85364 6.15389 2.79172 -95.00579 1170.09345
65.0000 -103.00523 -95.69596 7.30927 2.76242 -95.37101 1159.60741
70.0000 -100.68732 -93.92034 6.76698 2.85547 -94.21119 1236.65527
75.0000 -101.66919 -94.81212 6.85707 2.83347 -94.48541 1189.28633
80.0000 -99.58641 -91.44594 8.14047 2.90224 -93.62834 1227.43985
85.0000 -99.55924 -94.07317 5.48607 2.97784 -92.68608 1268.33835
90.0000 -100.61701 -94.17115 6.44586 2.88447 -93.84984 1233.09869
95.0000 -100.94838 -93.10913 7.83925 2.81442 -94.72283 1179.68455
100.0000 -99.72092 -93.48524 6.23568 2.90170 -93.63501 1262.49806
105.0000 -101.03115 -94.84570 6.18546 2.85400 -94.22952 1191.55015
110.0000 -101.44670 -94.77817 6.66853 2.82286 -94.61762 1153.97747
115.0000 -101.32046 -96.46773 4.85272 2.67676 -96.43858 1076.83666
120.0000 -100.89262 -94.52018 6.37244 2.75534 -95.45919 1121.19239
125.0000 -99.96581 -92.73641 7.22940 2.89515 -93.71676 1215.99286
130.0000 -99.00337 -92.73674 6.26663 3.00383 -92.36219 1275.10490
135.0000 -98.69745 -92.34427 6.35318 3.09881 -91.17839 1380.65260
140.0000 -101.38602 -92.76107 8.62495 2.93907 -93.16926 1222.56814
145.0000 -100.47839 -92.55134 7.92704 3.00821 -92.30759 1391.85505
150.0000 -100.33938 -94.63337 5.70601 2.95949 -92.91478 1376.98087
155.0000 -101.79312 -94.12085 7.67227 2.88759 -93.81089 1274.58964
160.0000 -101.30358 -94.15686 7.14671 2.90485 -93.59578 1268.78731
165.0000 -100.38891 -93.57836 6.81054 2.92192 -93.38312 1280.46423
170.0000 -100.27369 -92.99736 7.27634 2.92790 -93.30854 1243.90940
175.0000 -100.03030 -93.42359 6.60671 2.99778 -92.43764 1330.41665
180.0000 -102.30219 -95.34718 6.95501 2.86722 -94.06476 1234.51261
185.0000 -100.03734 -93.34325 6.69409 2.87352 -93.98629 1215.31674
190.0000 -99.56465 -92.08324 7.48141 2.94264 -93.12486 1269.81261
195.0000 -99.19101 -92.22886 6.96215 3.06259 -91.62987 1395.76383
200.0000 -102.13560 -94.18712 7.94848 2.90462 -93.59864 1293.33761
205.0000 -101.73246 -92.77747 8.95498 2.90797 -93.55688 1267.33985
210.0000 -99.57933 -92.36380 7.21553 3.01397 -92.23577 1355.63577
215.0000 -97.43636 -90.82103 6.61533 3.08315 -91.37365 1336.74086
220.0000 -100.20310 -93.38491 6.81820 3.04619 -91.83430 1349.97313
225.0000 -101.81541 -94.45322 7.36219 2.89810 -93.67992 1226.16751
230.0000 -100.05685 -93.27966 6.77719 2.89745 -93.68803 1188.68204
235.0000 -99.95423 -93.34003 6.61420 3.02626 -92.08265 1329.03505
240.0000 -98.64733 -91.48350 7.16383 2.95585 -92.96014 1318.55792
245.0000 -100.63520 -93.87433 6.76087 2.88951 -93.78698 1238.84960
250.0000 -100.48066 -94.21244 6.26822 2.90143 -93.63849 1270.67958
FREEZING PROCESS: loop number 2 T-loop= 1215.0000000000000
main_MD> interactions number 2 at Temperature= 1215.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11717 -0.91883 -1.73216
force_rgl> df(natom) -0.90610 2.18920 0.94936
255.0000 -100.33676 -92.68086 7.65590 2.99391 -92.48580 1338.81690
260.0000 -98.56085 -89.22917 9.33168 3.12021 -90.91172 1423.33154
265.0000 -99.14408 -91.25602 7.88806 3.08268 -91.37943 1355.80462
270.0000 -102.98131 -96.01476 6.96655 2.96694 -92.82196 1276.74842
275.0000 -100.72570 -91.85908 8.86663 2.91418 -93.47949 1273.35318
280.0000 -97.67100 -90.40806 7.26294 3.09897 -91.17645 1421.17292
285.0000 -101.13575 -91.49136 9.64440 3.16348 -90.37235 1472.46461
290.0000 -98.16263 -90.12355 8.03908 3.11943 -90.92148 1372.97573
295.0000 -98.66624 -92.57499 6.09125 3.08672 -91.32905 1367.50298
300.0000 -100.06343 -93.29439 6.76904 2.99424 -92.48169 1307.13288
305.0000 -101.87935 -95.07197 6.80738 2.86359 -94.11007 1179.03060
310.0000 -102.00508 -94.16960 7.83548 2.82911 -94.53976 1239.60741
315.0000 -101.97452 -96.23009 5.74443 2.72680 -95.81489 1082.87149
320.0000 -103.50607 -96.92184 6.58423 2.71291 -95.98806 1144.72903
325.0000 -102.14578 -95.64104 6.50474 2.69141 -96.25600 1087.50469
330.0000 -100.60670 -93.85668 6.75002 2.94598 -93.08323 1289.39201
335.0000 -101.82321 -95.19433 6.62888 2.82359 -94.60858 1134.86978
340.0000 -101.77226 -95.81556 5.95671 2.76171 -95.37978 1141.10503
345.0000 -100.24999 -92.68910 7.56090 2.89767 -93.68533 1226.34935
350.0000 -99.75538 -92.89386 6.86152 2.99366 -92.48895 1300.28578
355.0000 -99.76265 -93.31195 6.45070 2.95483 -92.97284 1272.59799
360.0000 -100.82453 -92.81825 8.00628 2.92382 -93.35933 1283.06087
365.0000 -99.92570 -93.76586 6.15984 2.93415 -93.23057 1258.09401
370.0000 -99.23051 -92.91973 6.31079 2.89940 -93.66375 1184.00961
375.0000 -100.36896 -93.40962 6.95934 2.97959 -92.66433 1282.13474
380.0000 -102.20908 -96.21521 5.99387 2.76860 -95.29393 1136.90908
385.0000 -102.45679 -94.33969 8.11711 2.79185 -95.00413 1144.64239
390.0000 -100.94864 -94.27607 6.67257 2.83873 -94.41986 1191.27481
395.0000 -100.04048 -93.85286 6.18763 2.86897 -94.04299 1172.83593
400.0000 -100.48595 -93.52484 6.96111 2.95790 -92.93463 1292.28052
405.0000 -102.33526 -94.80426 7.53100 2.84039 -94.39916 1122.58874
410.0000 -100.90463 -94.31805 6.58659 2.83205 -94.50312 1161.03443
415.0000 -99.23796 -92.64164 6.59631 2.90808 -93.55558 1229.44732
420.0000 -101.26120 -92.92949 8.33171 2.93509 -93.21889 1287.64969
425.0000 -101.05641 -93.54943 7.50699 2.89412 -93.72957 1230.17478
430.0000 -101.47339 -93.81110 7.66229 2.90035 -93.65183 1200.35454
435.0000 -100.61036 -93.13106 7.47930 2.95704 -92.94532 1266.14761
440.0000 -100.02668 -95.73476 4.29192 2.85879 -94.16989 1214.87824
445.0000 -103.00153 -95.93636 7.06517 2.74557 -95.58102 1086.26329
450.0000 -101.65858 -95.67344 5.98514 2.78116 -95.13746 1175.00229
455.0000 -102.64938 -96.85356 5.79582 2.71322 -95.98410 1106.98012
460.0000 -102.55758 -95.16713 7.39044 2.72545 -95.83178 1100.99077
465.0000 -102.39713 -95.56081 6.83632 2.69786 -96.17558 1088.54143
470.0000 -100.22506 -93.63132 6.59373 2.83763 -94.43363 1205.01598
475.0000 -102.06799 -94.95088 7.11711 2.87973 -93.90889 1244.46048
480.0000 -100.00036 -93.25851 6.74185 2.92606 -93.33151 1285.21174
485.0000 -99.57342 -91.50166 8.07176 2.99539 -92.46735 1287.21055
490.0000 -100.14154 -93.32080 6.82074 3.01453 -92.22887 1286.94174
495.0000 -100.51566 -92.18544 8.33022 2.94440 -93.10289 1236.52731
500.0000 -100.19423 -94.36355 5.83067 2.89740 -93.68866 1252.66963
FREEZING PROCESS: loop number 3 T-loop= 1190.0000000000000
main_MD> interactions number 3 at Temperature= 1190.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15604 6.13948 -6.66843
force_rgl> df(natom) 3.60861 1.06512 -1.58192
505.0000 -101.42502 -94.00007 7.42495 2.89287 -93.74516 1226.69766
510.0000 -101.48741 -94.75153 6.73588 2.74336 -95.60853 1099.36207
515.0000 -99.44865 -92.78727 6.66138 2.94531 -93.09160 1294.37595
520.0000 -98.70316 -90.92751 7.77565 3.00226 -92.38180 1337.52137
525.0000 -100.57645 -93.05801 7.51844 2.97175 -92.76197 1301.91383
530.0000 -101.36988 -94.32900 7.04088 2.82489 -94.59237 1123.10428
535.0000 -100.63216 -93.31301 7.31915 2.87834 -93.92624 1240.78918
540.0000 -100.56745 -94.62173 5.94571 2.92794 -93.30802 1290.06348
545.0000 -101.87905 -95.30535 6.57371 2.89422 -93.72832 1259.50900
550.0000 -101.91955 -94.95992 6.95963 2.73493 -95.71362 1141.93848
555.0000 -101.05872 -93.90800 7.15072 2.84368 -94.35816 1179.09285
560.0000 -103.50507 -94.98418 8.52090 2.73817 -95.67319 1105.39936
565.0000 -100.31821 -93.48317 6.83504 2.88431 -93.85176 1262.84799
570.0000 -101.93211 -94.82102 7.11109 2.85787 -94.18135 1227.97403
575.0000 -101.22394 -94.69090 6.53305 2.83184 -94.50570 1208.66010
580.0000 -100.70143 -93.29207 7.40936 2.86617 -94.07783 1232.34169
585.0000 -101.96920 -95.36289 6.60631 2.84709 -94.31563 1159.42508
590.0000 -101.26545 -93.24304 8.02242 2.80738 -94.81065 1147.41539
595.0000 -101.55327 -94.21372 7.33955 2.89743 -93.68835 1228.02592
600.0000 -98.60030 -92.22362 6.37668 2.96372 -92.86213 1320.34163
605.0000 -100.87669 -93.08769 7.78900 2.93112 -93.26836 1229.54295
610.0000 -99.17746 -94.17227 5.00519 2.85423 -94.22673 1227.72737
615.0000 -100.09773 -93.91412 6.18362 2.89846 -93.67540 1221.51100
620.0000 -100.25433 -93.38283 6.87149 2.89256 -93.74900 1206.58421
625.0000 -101.74632 -94.93779 6.80854 2.78387 -95.10358 1177.68160
630.0000 -101.10262 -94.51624 6.58639 2.81264 -94.74512 1215.20633
635.0000 -99.90148 -93.73963 6.16186 2.80782 -94.80518 1159.75178
640.0000 -101.19958 -91.91080 9.28878 2.90078 -93.64649 1236.02265
645.0000 -101.03820 -93.03551 8.00269 2.97654 -92.70231 1307.11557
650.0000 -101.85667 -95.38961 6.46706 2.86636 -94.07552 1198.12759
655.0000 -102.02895 -95.23044 6.79851 2.78082 -95.14159 1131.38112
660.0000 -101.68048 -94.78311 6.89738 2.78918 -95.03748 1133.78447
665.0000 -102.44096 -95.02341 7.41755 2.82560 -94.58348 1208.72116
670.0000 -102.65835 -96.66615 5.99220 2.72422 -95.84708 1108.56289
675.0000 -101.33817 -94.21635 7.12181 2.69348 -96.23014 1100.99923
680.0000 -101.21083 -92.54316 8.66767 2.97815 -92.68225 1351.54506
685.0000 -100.83984 -93.99217 6.84767 2.88418 -93.85337 1232.40240
690.0000 -100.27188 -94.12546 6.14642 2.89879 -93.67135 1220.53592
695.0000 -101.32178 -93.86345 7.45833 2.88149 -93.88701 1177.10679
700.0000 -99.89171 -94.10913 5.78258 2.87987 -93.90712 1226.09414
705.0000 -99.99657 -94.76798 5.22860 2.87517 -93.96576 1225.43667
710.0000 -100.78842 -94.21560 6.57283 2.78843 -95.04674 1183.82672
715.0000 -100.47144 -92.74172 7.72972 2.86083 -94.14442 1224.89774
720.0000 -100.69238 -92.37908 8.31330 3.00881 -92.30018 1372.61627
725.0000 -100.45994 -94.76348 5.69646 2.89595 -93.70675 1225.07230
730.0000 -100.01343 -93.17745 6.83598 2.83542 -94.46120 1195.52878
735.0000 -101.76975 -95.59848 6.17128 2.81684 -94.69275 1160.48988
740.0000 -101.39736 -92.89701 8.50035 2.79114 -95.01307 1180.61492
745.0000 -100.34291 -92.89550 7.44742 2.92099 -93.39462 1279.21098
750.0000 -99.60301 -93.09521 6.50780 2.99700 -92.44728 1321.19207
FREEZING PROCESS: loop number 4 T-loop= 1165.0000000000000
main_MD> interactions number 4 at Temperature= 1165.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.94768 4.89347 -1.96660
force_rgl> df(natom) 1.05374 -0.21287 1.60408
755.0000 -99.45027 -91.04371 8.40657 2.97254 -92.75216 1264.81717
760.0000 -100.90940 -91.72883 9.18057 3.12060 -90.90681 1375.88867
765.0000 -100.57056 -94.08078 6.48978 2.89872 -93.67215 1238.04059
770.0000 -101.96922 -95.70228 6.26694 2.83568 -94.45795 1185.14653
775.0000 -102.06956 -96.35206 5.71750 2.73422 -95.72240 1125.06035
780.0000 -99.95722 -93.42787 6.52935 2.79860 -94.92009 1106.75969
785.0000 -102.21932 -94.20501 8.01431 2.93319 -93.24261 1322.14752
790.0000 -100.79429 -94.03924 6.75505 2.91980 -93.40946 1270.50191
795.0000 -101.75272 -94.43902 7.31370 2.84347 -94.36079 1265.47908
800.0000 -101.25439 -94.53387 6.72052 2.82217 -94.62630 1193.70113
805.0000 -100.48006 -94.80830 5.67175 2.73785 -95.67714 1123.94386
810.0000 -98.80158 -93.00673 5.79485 2.89591 -93.70729 1252.20675
815.0000 -102.20725 -94.92177 7.28547 2.80268 -94.86924 1174.84524
820.0000 -101.40580 -94.74172 6.66408 2.83385 -94.48069 1225.27434
825.0000 -100.78185 -93.90540 6.87645 2.83612 -94.45239 1174.76165
830.0000 -101.45589 -94.76870 6.68719 2.78872 -95.04313 1210.95888
835.0000 -99.75424 -93.54539 6.20885 2.87093 -94.01854 1198.36737
840.0000 -100.88627 -94.82419 6.06208 2.89645 -93.70047 1208.38096
845.0000 -102.06537 -94.31854 7.74683 2.83899 -94.41670 1153.98780
850.0000 -100.80422 -92.08989 8.71433 2.97611 -92.70764 1299.56907
855.0000 -101.34569 -95.09383 6.25186 2.89595 -93.70670 1223.94877
860.0000 -101.45990 -96.85457 4.60532 2.65891 -96.66104 1049.20166
865.0000 -100.90415 -94.56562 6.33854 2.69327 -96.23278 1120.08629
870.0000 -101.87950 -95.97061 5.90889 2.68477 -96.33879 1075.57704
875.0000 -100.52508 -95.86592 4.65916 2.69960 -96.15394 1123.37771
880.0000 -102.29007 -95.07370 7.21637 2.78219 -95.12460 1169.35034
885.0000 -100.39678 -94.79852 5.59826 2.76672 -95.31739 1189.68217
890.0000 -101.47462 -94.03150 7.44312 2.90164 -93.63579 1250.04130
895.0000 -101.07742 -92.67396 8.40346 2.92409 -93.35603 1252.27473
900.0000 -100.30276 -94.57205 5.73071 2.90123 -93.64093 1268.78985
905.0000 -98.46386 -92.23781 6.22605 2.86443 -94.09958 1232.62771
910.0000 -101.25279 -95.12044 6.13236 2.92231 -93.37815 1281.71936
915.0000 -101.76454 -95.11669 6.64785 2.75925 -95.41053 1159.02297
920.0000 -100.86645 -94.19988 6.66657 2.83400 -94.47884 1185.89291
925.0000 -100.54103 -93.01687 7.52416 2.85366 -94.23385 1198.96038
930.0000 -100.69650 -94.65592 6.04058 2.83070 -94.51999 1206.31098
935.0000 -100.43602 -92.67595 7.76007 2.86229 -94.12627 1202.70924
940.0000 -100.78770 -94.03648 6.75122 2.90369 -93.61028 1274.88482
945.0000 -103.05710 -95.35975 7.69735 2.80892 -94.79138 1187.09337
950.0000 -100.65364 -95.49243 5.16121 2.66484 -96.58717 1079.48807
955.0000 -100.58551 -94.76119 5.82431 2.76436 -95.34676 1137.71995
960.0000 -101.11655 -95.75142 5.36513 2.78784 -95.05418 1152.06662
965.0000 -102.07200 -96.57944 5.49256 2.69241 -96.24353 1089.20291
970.0000 -102.47991 -96.17695 6.30296 2.68130 -96.38197 1073.99652
975.0000 -100.98991 -95.20001 5.78990 2.76329 -95.36008 1184.87806
980.0000 -99.79934 -92.82640 6.97294 2.82294 -94.61670 1199.74324
985.0000 -101.13962 -93.15143 7.98819 2.97432 -92.72994 1321.29264
990.0000 -101.47978 -96.12015 5.35963 2.79710 -94.93878 1151.89407
995.0000 -100.33607 -93.47683 6.85924 2.81634 -94.69891 1166.08563
1000.0000 -100.09963 -94.20529 5.89434 2.92684 -93.32174 1239.61823
FREEZING PROCESS: loop number 5 T-loop= 1140.0000000000000
main_MD> interactions number 5 at Temperature= 1140.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21218 -6.97695 -7.45722
force_rgl> df(natom) 1.03484 0.97626 1.13385
1005.0000 -101.43993 -94.37152 7.06841 2.79426 -94.97416 1167.40642
1010.0000 -101.33592 -95.44714 5.88878 2.78368 -95.10602 1158.13857
1015.0000 -101.09456 -94.34666 6.74790 2.79941 -94.90990 1137.28950
1020.0000 -102.53933 -96.41134 6.12798 2.77979 -95.15448 1153.29620
1025.0000 -102.30906 -94.96086 7.34821 2.71978 -95.90237 1129.45954
1030.0000 -101.79944 -95.52937 6.27007 2.77106 -95.26332 1127.43017
1035.0000 -101.63269 -95.25924 6.37345 2.77149 -95.25796 1177.20286
1040.0000 -101.55160 -94.52287 7.02873 2.82577 -94.58141 1212.73202
1045.0000 -102.09081 -95.20406 6.88676 2.72395 -95.85046 1120.90041
1050.0000 -101.15596 -95.35557 5.80039 2.71820 -95.92204 1105.85231
1055.0000 -101.82478 -95.86281 5.96197 2.81857 -94.67115 1164.86015
1060.0000 -102.16107 -96.61863 5.54243 2.63908 -96.90820 1058.03814
1065.0000 -101.75301 -95.83002 5.92299 2.71756 -95.93005 1088.98496
1070.0000 -100.92605 -94.38267 6.54339 2.82045 -94.64775 1196.14469
1075.0000 -102.11998 -95.96872 6.15126 2.79299 -94.98998 1134.43558
1080.0000 -102.64312 -97.77455 4.86856 2.69805 -96.17317 1054.46555
1085.0000 -103.23980 -96.56419 6.67561 2.55958 -97.89909 964.06151
1090.0000 -101.45924 -95.38172 6.07752 2.70519 -96.08427 1087.14179
1095.0000 -103.09051 -96.38118 6.70933 2.77417 -95.22449 1138.61711
1100.0000 -103.64543 -97.35343 6.29200 2.68042 -96.39296 1061.64453
1105.0000 -102.90512 -96.50078 6.40434 2.57073 -97.76003 992.41008
1110.0000 -102.24997 -97.37248 4.87749 2.70249 -96.11793 1061.24434
1115.0000 -101.33970 -96.04496 5.29474 2.65415 -96.72032 1051.17296
1120.0000 -101.23323 -95.33694 5.89629 2.73272 -95.74113 1157.51033
1125.0000 -101.95300 -96.37180 5.58120 2.67476 -96.46347 1059.26422
1130.0000 -102.47729 -95.59656 6.88073 2.70999 -96.02445 1081.94623
1135.0000 -103.36434 -96.98719 6.37715 2.68765 -96.30284 1077.47477
1140.0000 -100.80216 -94.98077 5.82139 2.75254 -95.49407 1096.34928
1145.0000 -102.44179 -95.01247 7.42932 2.77402 -95.22640 1148.63162
1150.0000 -99.80327 -92.52294 7.28033 2.87765 -93.93477 1198.42249
1155.0000 -102.00322 -93.47232 8.53091 2.97825 -92.68103 1229.36311
1160.0000 -101.34242 -94.83799 6.50444 2.82202 -94.62818 1180.08157
1165.0000 -100.22569 -94.02188 6.20381 2.76388 -95.35276 1127.71730
1170.0000 -101.18663 -95.56092 5.62572 2.77263 -95.24367 1129.51403
1175.0000 -101.95087 -96.04355 5.90731 2.69224 -96.24564 1077.58861
1180.0000 -102.07427 -95.93787 6.13640 2.72940 -95.78249 1138.52085
1185.0000 -101.50083 -96.11737 5.38346 2.71312 -95.98540 1104.00359
1190.0000 -101.90069 -95.52409 6.37661 2.68271 -96.36442 1079.73919
1195.0000 -102.56752 -97.17990 5.38762 2.67869 -96.41455 1042.73845
1200.0000 -102.29046 -96.35979 5.93067 2.64230 -96.86803 1026.70455
1205.0000 -100.98061 -94.08857 6.89204 2.83007 -94.52787 1166.88282
1210.0000 -101.87159 -94.33099 7.54060 2.78039 -95.14694 1139.85344
1215.0000 -101.49911 -94.79080 6.70831 2.77075 -95.26713 1129.76364
1220.0000 -101.64908 -94.66630 6.98278 2.77272 -95.24256 1173.41266
1225.0000 -101.57276 -95.42201 6.15075 2.78436 -95.09755 1126.20159
1230.0000 -101.92319 -95.45108 6.47210 2.75909 -95.41252 1135.60063
1235.0000 -102.42045 -95.58480 6.83565 2.73920 -95.66040 1118.77968
1240.0000 -100.28743 -93.97194 6.31549 2.81738 -94.68603 1186.03064
1245.0000 -100.66843 -94.09802 6.57042 2.88427 -93.85228 1213.93826
1250.0000 -101.40547 -94.68108 6.72438 2.83131 -94.51242 1129.05461
FREEZING PROCESS: loop number 6 T-loop= 1115.0000000000000
main_MD> interactions number 6 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.18667 -3.53470 -0.31855
force_rgl> df(natom) 1.90005 -4.67118 0.75284
1255.0000 -100.52588 -93.08124 7.44464 2.81918 -94.66349 1143.26312
1260.0000 -101.45397 -95.36782 6.08614 2.97702 -92.69629 1307.93061
1265.0000 -101.11596 -94.71425 6.40171 2.80428 -94.84925 1149.24296
1270.0000 -102.63408 -96.12617 6.50791 2.70623 -96.07133 1084.22933
1275.0000 -103.57191 -96.47865 7.09326 2.62840 -97.04125 1033.52938
1280.0000 -102.23992 -95.08058 7.15934 2.76341 -95.35868 1143.00861
1285.0000 -101.98080 -96.60478 5.37602 2.67299 -96.48558 1058.80942
1290.0000 -102.87322 -95.54962 7.32360 2.66491 -96.58631 1075.19697
1295.0000 -103.40957 -96.49493 6.91465 2.66407 -96.59669 1072.29892
1300.0000 -102.36902 -96.33582 6.03320 2.68543 -96.33054 1058.72112
1305.0000 -101.28909 -94.70980 6.57929 2.77251 -95.24515 1139.72635
1310.0000 -102.10496 -94.94906 7.15590 2.79109 -95.01365 1122.14518
1315.0000 -102.37061 -96.59801 5.77259 2.74388 -95.60200 1141.19219
1320.0000 -101.86731 -94.19495 7.67236 2.73021 -95.77236 1135.42505
1325.0000 -100.84872 -95.01436 5.83437 2.84866 -94.29609 1212.28262
1330.0000 -102.38902 -95.74545 6.64358 2.75060 -95.51827 1114.70187
1335.0000 -101.70244 -95.26679 6.43565 2.76882 -95.29118 1135.28392
1340.0000 -102.13490 -95.61387 6.52104 2.73949 -95.65676 1102.22713
1345.0000 -102.33720 -95.91430 6.42290 2.70244 -96.11853 1082.59845
1350.0000 -101.09684 -95.70465 5.39219 2.70877 -96.03969 1087.47871
1355.0000 -103.10850 -97.50080 5.60770 2.70666 -96.06592 1067.27660
1360.0000 -100.82256 -95.12232 5.70024 2.72826 -95.79676 1068.66760
1365.0000 -102.85682 -95.94459 6.91223 2.75172 -95.50435 1128.40207
1370.0000 -101.53371 -95.10190 6.43181 2.70984 -96.02632 1070.05298
1375.0000 -100.07709 -93.64512 6.43198 2.79339 -94.98500 1183.48611
1380.0000 -102.65955 -95.29552 7.36403 2.81608 -94.70218 1196.27981
1385.0000 -102.36848 -96.24184 6.12664 2.73244 -95.74464 1161.65621
1390.0000 -101.96848 -95.53434 6.43414 2.69321 -96.23359 1138.75849
1395.0000 -102.20477 -95.42155 6.78323 2.75846 -95.42035 1141.45671
1400.0000 -101.36545 -95.12348 6.24197 2.80631 -94.82391 1148.47676
1405.0000 -102.41083 -95.98710 6.42372 2.70195 -96.12458 1097.47351
1410.0000 -104.64199 -98.11076 6.53123 2.63165 -97.00081 1042.52987
1415.0000 -102.35889 -96.36770 5.99119 2.65805 -96.67182 1056.97776
1420.0000 -101.64532 -96.75004 4.89528 2.64561 -96.82682 1041.53138
1425.0000 -102.44759 -96.68094 5.76665 2.73192 -95.75108 1104.51186
1430.0000 -103.71871 -97.59185 6.12686 2.57055 -97.76227 1015.48744
1435.0000 -102.08055 -96.28022 5.80033 2.66006 -96.64669 1055.49544
1440.0000 -102.85950 -96.64257 6.21693 2.71254 -95.99266 1077.27045
1445.0000 -101.17329 -94.54812 6.62517 2.71986 -95.90135 1095.28696
1450.0000 -101.87915 -96.55637 5.32278 2.67691 -96.43668 1072.91131
1455.0000 -101.40740 -94.38240 7.02500 2.76216 -95.37415 1166.36521
1460.0000 -101.96629 -95.48329 6.48300 2.76005 -95.40056 1165.02932
1465.0000 -101.51970 -95.05300 6.46670 2.78510 -95.08825 1112.28598
1470.0000 -103.36465 -97.28375 6.08091 2.71929 -95.90854 1120.40006
1475.0000 -103.03156 -97.83039 5.20117 2.55695 -97.93178 955.53491
1480.0000 -103.68500 -97.85051 5.83449 2.59653 -97.43849 1026.14464
1485.0000 -103.19287 -97.22599 5.96688 2.58907 -97.53149 1004.92409
1490.0000 -102.75355 -97.40880 5.34475 2.59958 -97.40047 1012.52315
1495.0000 -102.25635 -95.83060 6.42575 2.63700 -96.93415 1008.84926
1500.0000 -101.69151 -94.96640 6.72511 2.76818 -95.29919 1142.45212
FREEZING PROCESS: loop number 7 T-loop= 1090.0000000000000
main_MD> interactions number 7 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.44312 0.21923 -2.08479
force_rgl> df(natom) 0.35665 -2.45462 2.25631
1505.0000 -101.51680 -94.93465 6.58215 2.79445 -94.97182 1155.95275
1510.0000 -101.35819 -93.77556 7.58263 2.87845 -93.92479 1195.75724
1515.0000 -101.41170 -92.94876 8.46295 2.93696 -93.19559 1274.87343
1520.0000 -101.22101 -94.77889 6.44212 2.90474 -93.59720 1204.34573
1525.0000 -101.75999 -96.70209 5.05790 2.75508 -95.46242 1111.99549
1530.0000 -102.67382 -97.00087 5.67295 2.62086 -97.13522 1002.09369
1535.0000 -102.51033 -96.17585 6.33449 2.68474 -96.33906 1092.67309
1540.0000 -101.38036 -94.86075 6.51960 2.72292 -95.86324 1123.64088
1545.0000 -100.53382 -95.27658 5.25724 2.82911 -94.53980 1166.21794
1550.0000 -100.97199 -94.25640 6.71559 2.70962 -96.02905 1088.26651
1555.0000 -102.36043 -96.00090 6.35953 2.79283 -94.99192 1130.26029
1560.0000 -102.49836 -95.89785 6.60051 2.71578 -95.95222 1066.48303
1565.0000 -101.02655 -94.94044 6.08611 2.75568 -95.45503 1130.38983
1570.0000 -101.41533 -94.30079 7.11454 2.77893 -95.16523 1130.43114
1575.0000 -102.15491 -94.83123 7.32368 2.87338 -93.98808 1252.29221
1580.0000 -101.76611 -95.89767 5.86845 2.71644 -95.94409 1129.60176
1585.0000 -100.65156 -94.34723 6.30433 2.75604 -95.45052 1088.43363
1590.0000 -102.37250 -95.38453 6.98797 2.81960 -94.65831 1138.49114
1595.0000 -102.58817 -95.68016 6.90800 2.72791 -95.80103 1096.57193
1600.0000 -102.96061 -96.63298 6.32763 2.70444 -96.09355 1081.25992
1605.0000 -102.33453 -96.34555 5.98898 2.68645 -96.31780 1093.74511
1610.0000 -101.81610 -96.02128 5.79482 2.73003 -95.77469 1157.42969
1615.0000 -102.12338 -96.15908 5.96430 2.67316 -96.48344 1060.59748
1620.0000 -102.40365 -95.94432 6.45933 2.70451 -96.09271 1091.57957
1625.0000 -101.85054 -95.47259 6.37795 2.70546 -96.08086 1083.82855
1630.0000 -101.38967 -94.92043 6.46923 2.76943 -95.28362 1108.25050
1635.0000 -100.61604 -94.07379 6.54225 2.78372 -95.10554 1126.53920
1640.0000 -101.86788 -94.71937 7.14851 2.82782 -94.55588 1183.23639
1645.0000 -102.18851 -95.98189 6.20662 2.82017 -94.65124 1167.99871
1650.0000 -102.06417 -96.83587 5.22829 2.61687 -97.18505 992.22299
1655.0000 -102.06811 -96.01905 6.04905 2.69485 -96.21315 995.01465
1660.0000 -102.20049 -97.89677 4.30372 2.69945 -96.15574 1091.76972
1665.0000 -103.56982 -97.16583 6.40398 2.60236 -97.36581 1023.21670
1670.0000 -101.69270 -94.66833 7.02438 2.70156 -96.12953 1056.09535
1675.0000 -101.22095 -93.99431 7.22664 2.82407 -94.60254 1165.87045
1680.0000 -102.76291 -95.57141 7.19149 2.79513 -94.96326 1153.09147
1685.0000 -102.68756 -96.21740 6.47016 2.70635 -96.06979 1047.25234
1690.0000 -102.62717 -96.65299 5.97418 2.71312 -95.98536 1130.55898
1695.0000 -102.75344 -96.77816 5.97529 2.66922 -96.53259 1046.54976
1700.0000 -102.64493 -97.82800 4.81693 2.58896 -97.53291 1007.05174
1705.0000 -103.49668 -98.17656 5.32011 2.54447 -98.08730 957.82386
1710.0000 -103.23050 -97.99065 5.23985 2.58141 -97.62699 991.69093
1715.0000 -102.48282 -96.56560 5.91722 2.58159 -97.62471 970.63676
1720.0000 -104.96641 -99.92306 5.04335 2.53769 -98.17190 950.30684
1725.0000 -102.39322 -97.05550 5.33772 2.50899 -98.52956 944.30218
1730.0000 -102.56875 -96.47349 6.09527 2.66562 -96.57738 1062.31309
1735.0000 -102.79491 -97.54537 5.24953 2.62902 -97.03363 1072.35191
1740.0000 -104.62184 -98.25971 6.36214 2.56285 -97.85831 965.50241
1745.0000 -103.13940 -96.86683 6.27257 2.57454 -97.71253 1045.05248
1750.0000 -102.07503 -97.22886 4.84617 2.57534 -97.70264 974.94085
FREEZING PROCESS: loop number 8 T-loop= 1065.0000000000000
main_MD> interactions number 8 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.54531 -0.15736 -0.49183
force_rgl> df(natom) 2.57661 0.72244 0.40402
1755.0000 -103.09283 -98.49575 4.59708 2.55152 -97.99949 968.39426
1760.0000 -103.56603 -97.32270 6.24333 2.57966 -97.64880 983.38656
1765.0000 -103.76454 -97.41259 6.35195 2.59209 -97.49389 1021.90346
1770.0000 -102.83144 -96.81366 6.01778 2.59515 -97.45572 1020.42585
1775.0000 -103.13418 -97.51519 5.61898 2.59852 -97.41373 954.27461
1780.0000 -101.72844 -96.20786 5.52058 2.64695 -96.81007 1022.47415
1785.0000 -101.92820 -94.89867 7.02952 2.75747 -95.43261 1090.60315
1790.0000 -101.74873 -95.93829 5.81044 2.81151 -94.75911 1096.97893
1795.0000 -101.58266 -95.18808 6.39458 2.77402 -95.22633 1102.97813
1800.0000 -100.32662 -94.17006 6.15656 2.84709 -94.31575 1193.51778
1805.0000 -101.37968 -94.78798 6.59170 2.81182 -94.75521 1130.03988
1810.0000 -102.06671 -95.48722 6.57949 2.77647 -95.19582 1114.62052
1815.0000 -101.90069 -95.21805 6.68264 2.74182 -95.62773 1085.88536
1820.0000 -101.75790 -95.35408 6.40382 2.72478 -95.84011 1117.10442
1825.0000 -102.25830 -97.44342 4.81488 2.75590 -95.45217 1097.91548
1830.0000 -102.89940 -98.00843 4.89097 2.59038 -97.51521 960.85391
1835.0000 -102.80608 -97.13474 5.67134 2.62248 -97.11515 995.78445
1840.0000 -101.59032 -96.10048 5.48985 2.66651 -96.56636 1075.89030
1845.0000 -102.19965 -95.45837 6.74128 2.72188 -95.87629 1093.01670
1850.0000 -102.65024 -96.92824 5.72200 2.72716 -95.81037 1118.59260
1855.0000 -101.80859 -96.19664 5.61195 2.66453 -96.59102 1079.85528
1860.0000 -103.66514 -96.90059 6.76455 2.61422 -97.21808 1016.27448
1865.0000 -101.85091 -95.60136 6.24955 2.68648 -96.31747 1118.39585
1870.0000 -99.21147 -93.99854 5.21293 2.84909 -94.29081 1151.11947
1875.0000 -101.05029 -94.67517 6.37513 2.85566 -94.20883 1155.09802
1880.0000 -100.59787 -96.34461 4.25327 2.75223 -95.49791 1093.39103
1885.0000 -102.95781 -96.96827 5.98953 2.65343 -96.72930 1077.81930
1890.0000 -102.98293 -98.33357 4.64936 2.56619 -97.81663 969.29068
1895.0000 -101.50304 -96.30753 5.19551 2.62108 -97.13260 1034.43515
1900.0000 -101.36732 -94.81532 6.55200 2.75928 -95.41010 1132.72180
1905.0000 -99.55762 -94.20419 5.35343 2.83297 -94.49165 1186.61848
1910.0000 -102.18502 -96.63745 5.54757 2.75040 -95.52084 1077.53043
1915.0000 -104.03892 -99.01182 5.02710 2.57946 -97.65123 962.35511
1920.0000 -103.15260 -98.42190 4.73069 2.47990 -98.89207 908.86768
1925.0000 -103.06285 -97.81691 5.24594 2.55471 -97.95968 971.03586
1930.0000 -102.86870 -97.64947 5.21923 2.59043 -97.51455 1065.01157
1935.0000 -103.50014 -96.49845 7.00169 2.62881 -97.03618 999.49811
1940.0000 -102.19852 -95.79814 6.40039 2.77558 -95.20691 1154.02990
1945.0000 -102.66211 -96.69058 5.97153 2.67200 -96.49789 1041.49623
1950.0000 -102.54199 -96.63664 5.90534 2.70396 -96.09962 1072.87373
1955.0000 -102.33711 -96.20759 6.12953 2.68911 -96.28465 1082.46914
1960.0000 -103.16649 -96.91408 6.25241 2.72041 -95.89461 1080.73936
1965.0000 -103.41190 -96.90488 6.50701 2.65807 -96.67155 1065.57363
1970.0000 -104.06987 -96.40992 7.65995 2.76208 -95.37525 1117.01084
1975.0000 -101.65262 -95.43747 6.21515 2.74445 -95.59492 1138.56014
1980.0000 -102.32056 -94.74569 7.57487 2.79487 -94.96648 1187.59998
1985.0000 -100.78554 -95.14030 5.64525 2.70472 -96.09007 1086.76243
1990.0000 -102.34614 -96.88500 5.46114 2.67291 -96.48651 1013.91750
1995.0000 -103.87006 -98.23922 5.63083 2.66340 -96.60510 1083.78798
2000.0000 -102.17413 -96.02508 6.14905 2.67207 -96.49707 1053.30009
FREEZING PROCESS: loop number 9 T-loop= 1040.0000000000000
main_MD> interactions number 9 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.18775 -1.02045 0.19646
force_rgl> df(natom) -2.41638 -2.08241 0.63355
2005.0000 -102.64045 -96.94445 5.69599 2.68541 -96.33082 1111.52727
2010.0000 -102.57487 -96.64013 5.93473 2.60667 -97.31207 993.28344
2015.0000 -103.18464 -97.80910 5.37554 2.59365 -97.47445 998.88215
2020.0000 -102.30868 -96.86226 5.44642 2.55583 -97.94574 942.48620
2025.0000 -102.47805 -96.44863 6.02942 2.64300 -96.85936 1041.23087
2030.0000 -102.57838 -96.77929 5.79909 2.64355 -96.85252 1037.73132
2035.0000 -103.78658 -96.43254 7.35403 2.66469 -96.58900 1022.50091
2040.0000 -102.89118 -97.03183 5.85935 2.63218 -96.99416 1042.18921
2045.0000 -102.65057 -96.68179 5.96877 2.66117 -96.63284 1030.70069
2050.0000 -102.57661 -96.16669 6.40991 2.65423 -96.71932 1058.76621
2055.0000 -101.82935 -93.38080 8.44855 2.84246 -94.37341 1260.73322
2060.0000 -101.20936 -95.51052 5.69885 2.87185 -94.00712 1240.05017
2065.0000 -102.67793 -96.73516 5.94277 2.70823 -96.04636 1096.76552
2070.0000 -103.11603 -97.64956 5.46647 2.62029 -97.14242 1004.49094
2075.0000 -104.09513 -97.38043 6.71470 2.54877 -98.03381 951.25327
2080.0000 -102.19144 -96.21588 5.97556 2.63265 -96.98831 1044.10306
2085.0000 -103.86872 -97.05238 6.81633 2.64550 -96.82820 1032.27594
2090.0000 -101.47204 -94.38164 7.09040 2.72755 -95.80559 1123.38591
2095.0000 -100.37647 -94.24335 6.13312 2.88004 -93.90500 1223.01476
2100.0000 -101.73476 -96.49340 5.24136 2.71718 -95.93478 1084.50906
2105.0000 -101.81146 -94.98478 6.82668 2.73999 -95.65055 1102.39917
2110.0000 -102.30251 -96.49895 5.80355 2.75996 -95.40164 1089.24775
2115.0000 -102.53208 -95.81202 6.72006 2.68512 -96.33439 1128.77688
2120.0000 -101.84749 -95.75344 6.09405 2.74832 -95.54675 1136.09878
2125.0000 -101.02915 -95.45512 5.57403 2.73962 -95.65507 1101.52648
2130.0000 -103.51206 -96.92165 6.59041 2.63691 -96.93530 1015.10128
2135.0000 -103.41213 -97.58368 5.82846 2.63090 -97.01012 1039.58329
2140.0000 -102.66157 -97.28214 5.37943 2.63042 -97.01610 1034.69008
2145.0000 -101.65150 -96.49262 5.15888 2.67357 -96.47835 1055.35368
2150.0000 -103.22003 -98.70039 4.51965 2.54001 -98.14298 959.06136
2155.0000 -103.58698 -97.36168 6.22530 2.59019 -97.51754 1007.03448
2160.0000 -102.08916 -95.51369 6.57546 2.69634 -96.19454 1028.72296
2165.0000 -103.09004 -96.67004 6.42000 2.72123 -95.88432 1124.98565
2170.0000 -103.64915 -97.48885 6.16031 2.53592 -98.19394 965.61088
2175.0000 -103.65324 -97.13817 6.51507 2.63006 -97.02063 1030.73537
2180.0000 -102.73956 -97.87078 4.86879 2.56790 -97.79537 998.21299
2185.0000 -104.45316 -98.42634 6.02682 2.50055 -98.63476 899.81690
2190.0000 -103.07608 -97.18312 5.89296 2.56475 -97.83464 989.02002
2195.0000 -102.52265 -97.26089 5.26176 2.60638 -97.31572 993.11639
2200.0000 -102.95700 -97.75713 5.19986 2.60177 -97.37317 1012.12625
2205.0000 -102.78621 -97.04690 5.73931 2.56054 -97.88707 955.55714
2210.0000 -102.16064 -96.06690 6.09374 2.65335 -96.73031 1078.46755
2215.0000 -103.48950 -98.64184 4.84766 2.58814 -97.54302 965.79124
2220.0000 -104.46309 -97.62081 6.84228 2.56417 -97.84187 994.79970
2225.0000 -102.57365 -97.01813 5.55551 2.59615 -97.44330 997.96898
2230.0000 -102.78260 -97.93856 4.84404 2.62755 -97.05188 1022.21922
2235.0000 -103.47466 -97.48026 5.99440 2.57700 -97.68194 1014.90844
2240.0000 -101.70247 -96.40178 5.30068 2.61109 -97.25711 1039.30562
2245.0000 -103.42257 -97.25302 6.16955 2.65500 -96.70982 1069.57105
2250.0000 -103.71080 -97.47148 6.23932 2.53461 -98.21025 937.02010
FREEZING PROCESS: loop number 10 T-loop= 1015.0000000000000
main_MD> interactions number 10 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.37419 0.98505 1.96632
force_rgl> df(natom) -1.25873 -0.48829 0.69341
2255.0000 -102.42607 -96.90716 5.51891 2.60431 -97.34158 998.04105
2260.0000 -100.96541 -94.80672 6.15870 2.78623 -95.07428 1149.55524
2265.0000 -102.32921 -95.66866 6.66055 2.75116 -95.51135 1146.06470
2270.0000 -101.98605 -96.61597 5.37007 2.75831 -95.42225 1119.02700
2275.0000 -102.19502 -97.01902 5.17600 2.63991 -96.89780 1041.46226
2280.0000 -103.96876 -98.18780 5.78096 2.59339 -97.47763 1007.66138
2285.0000 -102.37331 -96.08628 6.28702 2.64515 -96.83260 1071.00541
2290.0000 -103.69484 -97.15269 6.54215 2.69051 -96.26722 1087.13431
2295.0000 -102.61215 -96.32792 6.28423 2.67712 -96.43406 1050.02607
2300.0000 -104.76833 -99.12274 5.64559 2.57578 -97.69712 970.93233
2305.0000 -103.60330 -97.66532 5.93798 2.52175 -98.37055 954.80704
2310.0000 -102.77226 -96.46646 6.30581 2.59638 -97.44040 1014.16863
2315.0000 -101.53528 -95.84248 5.69280 2.70168 -96.12793 1093.36985
2320.0000 -102.61343 -96.89776 5.71567 2.72711 -95.81099 1095.09224
2325.0000 -103.85020 -98.06854 5.78167 2.57841 -97.66439 979.96853
2330.0000 -102.94674 -97.61715 5.32959 2.59498 -97.45781 1006.40753
2335.0000 -103.20762 -97.73097 5.47665 2.57655 -97.68753 968.71786
2340.0000 -102.40212 -97.19000 5.21212 2.62025 -97.14283 1019.67091
2345.0000 -102.66375 -97.19361 5.47014 2.64557 -96.82735 1022.61013
2350.0000 -102.58374 -96.80186 5.78187 2.64090 -96.88549 1058.21668
2355.0000 -104.34706 -98.65995 5.68711 2.53597 -98.19330 936.64117
2360.0000 -103.05440 -97.44874 5.60566 2.58030 -97.64075 1006.56401
2365.0000 -103.53954 -97.89729 5.64225 2.53287 -98.23192 950.29039
2370.0000 -101.20969 -96.11133 5.09835 2.63864 -96.91371 997.05506
2375.0000 -101.81944 -96.72055 5.09889 2.66541 -96.57999 1016.41505
2380.0000 -102.72521 -97.08341 5.64180 2.64834 -96.79284 1020.52641
2385.0000 -102.57299 -96.67125 5.90174 2.57868 -97.66098 981.84126
2390.0000 -103.29364 -98.15957 5.13407 2.62732 -97.05476 1042.50958
2395.0000 -104.36708 -98.20978 6.15730 2.49678 -98.68167 939.47330
2400.0000 -103.27892 -97.05722 6.22170 2.56905 -97.78106 933.81488
2405.0000 -103.49944 -98.03682 5.46262 2.59262 -97.48727 1021.92059
2410.0000 -102.75889 -97.13586 5.62303 2.55201 -97.99339 964.08038
2415.0000 -102.58133 -96.24302 6.33831 2.68636 -96.31898 1064.74314
2420.0000 -103.56709 -97.77422 5.79287 2.61196 -97.24623 995.19664
2425.0000 -104.76803 -98.05195 6.71608 2.58869 -97.53619 1007.82080
2430.0000 -103.64636 -98.23910 5.40727 2.46789 -99.04182 897.09264
2435.0000 -105.45854 -100.88644 4.57211 2.39643 -99.93246 844.52985
2440.0000 -104.69891 -99.65865 5.04026 2.43518 -99.44950 898.28676
2445.0000 -102.27003 -96.37958 5.89045 2.55911 -97.90485 1009.30757
2450.0000 -101.88406 -96.77256 5.11151 2.63901 -96.90902 1008.17159
2455.0000 -102.25772 -96.82909 5.42863 2.64977 -96.77491 1067.53201
2460.0000 -103.96964 -97.51012 6.45952 2.65547 -96.70397 1060.70738
2465.0000 -103.20891 -97.40645 5.80246 2.54108 -98.12958 949.43912
2470.0000 -102.84022 -97.65247 5.18775 2.61947 -97.15265 994.76491
2475.0000 -102.61670 -95.70493 6.91177 2.57244 -97.73879 976.74354
2480.0000 -101.36567 -94.78319 6.58248 2.74368 -95.60457 1107.88288
2485.0000 -102.05512 -95.89419 6.16093 2.71442 -95.96918 1064.01719
2490.0000 -101.03914 -94.31502 6.72412 2.74816 -95.54864 1085.67773
2495.0000 -102.48183 -96.48039 6.00144 2.72541 -95.83228 1065.19443
2500.0000 -102.31089 -97.01554 5.29535 2.64401 -96.84674 998.28095
FREEZING PROCESS: loop number 11 T-loop= 990.00000000000000
main_MD> interactions number 11 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16623 -2.42199 -0.78631
force_rgl> df(natom) 0.73276 2.01202 -1.14202
2505.0000 -104.71256 -98.19253 6.52003 2.57289 -97.73319 958.19966
2510.0000 -104.31819 -98.97419 5.34400 2.51237 -98.48744 921.57290
2515.0000 -105.65998 -99.22392 6.43606 2.38983 -100.01465 842.18293
2520.0000 -103.21737 -98.20798 5.00939 2.47149 -98.99689 887.98662
2525.0000 -103.02300 -98.48757 4.53544 2.57055 -97.76231 990.51746
2530.0000 -102.78890 -97.93818 4.85072 2.50224 -98.61374 885.71353
2535.0000 -102.86300 -97.57473 5.28827 2.61999 -97.14617 1017.32969
2540.0000 -103.29399 -97.65916 5.63482 2.64015 -96.89490 1031.28987
2545.0000 -103.61255 -98.11440 5.49815 2.55838 -97.91395 963.39484
2550.0000 -100.14938 -95.10639 5.04299 2.60017 -97.39310 1031.98179
2555.0000 -102.04965 -96.09817 5.95148 2.69812 -96.17231 1088.64434
2560.0000 -102.96497 -96.42863 6.53634 2.67162 -96.50269 982.69311
2565.0000 -102.73168 -97.25990 5.47178 2.66758 -96.55295 1065.63090
2570.0000 -102.87911 -97.01774 5.86137 2.59446 -97.46435 970.15022
2575.0000 -101.68390 -95.01481 6.66909 2.73962 -95.65514 1092.78797
2580.0000 -101.50901 -95.78960 5.71941 2.75748 -95.43260 1144.66940
2585.0000 -103.22538 -98.01318 5.21220 2.67481 -96.46291 1057.59200
2590.0000 -104.05106 -98.91131 5.13975 2.52990 -98.26894 963.20539
2595.0000 -103.70650 -98.06103 5.64547 2.55136 -98.00148 934.57250
2600.0000 -104.42675 -98.88298 5.54377 2.57543 -97.70148 987.15413
2605.0000 -103.64998 -97.85204 5.79794 2.52180 -98.36996 950.73826
2610.0000 -101.82469 -96.47398 5.35071 2.59753 -97.42607 986.78661
2615.0000 -103.18577 -96.37842 6.80735 2.72518 -95.83515 1091.07461
2620.0000 -102.19699 -96.44034 5.75664 2.69821 -96.17130 1113.04993
2625.0000 -102.34386 -96.06489 6.27897 2.66675 -96.56329 1083.34391
2630.0000 -102.81555 -97.16785 5.64769 2.63339 -96.97913 1026.35365
2635.0000 -102.94922 -96.29677 6.65245 2.67747 -96.42978 1033.43914
2640.0000 -100.59175 -94.03208 6.55967 2.74599 -95.57569 1118.40931
2645.0000 -101.84132 -95.13369 6.70764 2.77191 -95.25275 1139.12381
2650.0000 -103.74571 -97.93536 5.81035 2.69565 -96.20309 1085.09950
2655.0000 -103.06646 -97.48739 5.57907 2.56104 -97.88087 986.94437
2660.0000 -103.82995 -98.13136 5.69859 2.55451 -97.96227 997.39178
2665.0000 -102.96485 -97.34951 5.61534 2.62380 -97.09867 1022.65332
2670.0000 -103.24888 -98.19551 5.05337 2.54367 -98.09728 930.40021
2675.0000 -104.74834 -99.36134 5.38701 2.48399 -98.84115 937.28061
2680.0000 -104.14924 -98.56992 5.57932 2.41755 -99.66915 869.32963
2685.0000 -104.46287 -98.87263 5.59024 2.48147 -98.87260 920.53114
2690.0000 -102.88175 -97.17128 5.71047 2.50275 -98.60731 906.09055
2695.0000 -101.95215 -96.72891 5.22324 2.61306 -97.23246 1032.24863
2700.0000 -104.51842 -99.47546 5.04296 2.49886 -98.65583 913.55740
2705.0000 -103.94271 -98.50552 5.43719 2.48665 -98.80802 935.38588
2710.0000 -103.93470 -98.37763 5.55706 2.52538 -98.32525 973.65174
2715.0000 -103.79143 -98.77525 5.01618 2.56174 -97.87206 990.42632
2720.0000 -104.08277 -99.05530 5.02747 2.49687 -98.68057 960.18757
2725.0000 -102.96999 -97.44815 5.52184 2.45014 -99.26306 908.80692
2730.0000 -103.50887 -97.45304 6.05583 2.60983 -97.27277 1039.32088
2735.0000 -102.77548 -96.70483 6.07064 2.66682 -96.56247 1064.66847
2740.0000 -101.42046 -95.44362 5.97684 2.72341 -95.85717 1081.94853
2745.0000 -100.69807 -95.04275 5.65532 2.74814 -95.54889 1087.52920
2750.0000 -101.95393 -95.78532 6.16861 2.72946 -95.78178 1162.77293
FREEZING PROCESS: loop number 12 T-loop= 965.00000000000000
main_MD> interactions number 12 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33924 0.20620 -2.08848
force_rgl> df(natom) -2.68920 -3.02014 0.55009
2755.0000 -102.58973 -96.72090 5.86882 2.69888 -96.16294 1089.17070
2760.0000 -102.56961 -96.52547 6.04414 2.67934 -96.40638 1044.16866
2765.0000 -103.08915 -97.56588 5.52327 2.58169 -97.62350 941.74880
2770.0000 -102.99777 -97.20897 5.78881 2.59027 -97.51651 958.82842
2775.0000 -104.63937 -98.82873 5.81064 2.56428 -97.84044 957.22340
2780.0000 -103.97543 -97.77951 6.19591 2.56687 -97.80816 996.50045
2785.0000 -101.97704 -94.99745 6.97958 2.64992 -96.77310 1032.10240
2790.0000 -103.11739 -97.19607 5.92132 2.71074 -96.01512 1065.34625
2795.0000 -103.71907 -97.60458 6.11449 2.60357 -97.35081 1034.01619
2800.0000 -103.47962 -97.13403 6.34559 2.61136 -97.25372 1018.43419
2805.0000 -105.36500 -98.79638 6.56862 2.49290 -98.73007 895.52795
2810.0000 -102.97263 -97.94187 5.03076 2.50811 -98.54050 925.64344
2815.0000 -102.17490 -96.56876 5.60615 2.64746 -96.80376 1059.23667
2820.0000 -102.59579 -97.17825 5.41754 2.65488 -96.71130 1009.01587
2825.0000 -103.55318 -97.01028 6.54289 2.63099 -97.00906 1036.13053
2830.0000 -102.29500 -96.05458 6.24042 2.65647 -96.69144 1056.46922
2835.0000 -103.04506 -97.55491 5.49015 2.71306 -95.98615 1070.51447
2840.0000 -103.37588 -97.56823 5.80765 2.59230 -97.49120 1013.89919
2845.0000 -103.60390 -97.73014 5.87376 2.55487 -97.95775 973.84000
2850.0000 -103.34161 -97.87428 5.46733 2.59502 -97.45728 1004.58346
2855.0000 -104.38199 -99.10604 5.27595 2.49514 -98.70218 905.38197
2860.0000 -102.75426 -96.14602 6.60824 2.54027 -98.13976 933.46651
2865.0000 -102.95497 -97.12516 5.82981 2.66737 -96.55565 1046.69460
2870.0000 -103.32910 -97.67652 5.65258 2.57881 -97.65931 980.47963
2875.0000 -103.70508 -98.83321 4.87187 2.55677 -97.93410 966.39285
2880.0000 -103.08001 -97.92561 5.15439 2.52023 -98.38941 953.77605
2885.0000 -104.56956 -98.32587 6.24369 2.57429 -97.71569 980.52481
2890.0000 -105.30187 -99.35979 5.94208 2.47464 -98.95763 924.04805
2895.0000 -102.79816 -97.31117 5.48698 2.51781 -98.41960 942.73180
2900.0000 -103.81794 -97.62304 6.19490 2.58071 -97.63569 1025.34990
2905.0000 -103.95466 -98.05927 5.89539 2.52993 -98.26859 974.37103
2910.0000 -103.47944 -97.46492 6.01452 2.55683 -97.93335 986.36465
2915.0000 -102.81275 -98.59720 4.21556 2.63545 -96.95344 1044.83946
2920.0000 -104.36957 -99.31932 5.05025 2.51079 -98.50716 901.78634
2925.0000 -104.73701 -99.56939 5.16762 2.42707 -99.55052 813.24246
2930.0000 -103.73183 -98.51646 5.21536 2.43118 -99.49930 862.03953
2935.0000 -104.24257 -99.00159 5.24098 2.52700 -98.30508 984.33207
2940.0000 -102.04271 -97.25284 4.78987 2.54696 -98.05631 931.16760
2945.0000 -104.02634 -99.09071 4.93564 2.57172 -97.74776 971.66794
2950.0000 -105.01885 -100.16878 4.85007 2.41210 -99.73718 812.39729
2955.0000 -105.50910 -101.13160 4.37751 2.33825 -100.65749 818.85057
2960.0000 -105.18579 -100.93173 4.25406 2.36443 -100.33121 854.48514
2965.0000 -104.20088 -99.94027 4.26062 2.35589 -100.43771 807.41867
2970.0000 -104.68890 -98.50159 6.18731 2.46327 -99.09941 873.43439
2975.0000 -103.69198 -99.16018 4.53179 2.46784 -99.04241 904.19462
2980.0000 -102.78415 -97.26219 5.52196 2.51304 -98.47911 924.18067
2985.0000 -103.43597 -97.78685 5.64913 2.58038 -97.63980 969.75573
2990.0000 -103.79687 -97.49309 6.30377 2.52727 -98.30171 945.82323
2995.0000 -103.18180 -97.58846 5.59334 2.68727 -96.30757 1060.85623
3000.0000 -104.51078 -99.41855 5.09223 2.52871 -98.28375 919.96939
FREEZING PROCESS: loop number 13 T-loop= 940.00000000000000
main_MD> interactions number 13 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.48089 3.14777 -1.06013
force_rgl> df(natom) 2.30154 -4.17921 2.11423
3005.0000 -104.16895 -98.96655 5.20240 2.46374 -99.09353 902.10517
3010.0000 -103.64932 -98.76372 4.88560 2.49337 -98.72421 940.35449
3015.0000 -105.00399 -99.45132 5.55267 2.48120 -98.87588 894.25947
3020.0000 -103.92973 -98.01565 5.91408 2.53082 -98.25754 928.38809
3025.0000 -103.10500 -98.21484 4.89015 2.53891 -98.15667 913.73555
3030.0000 -102.68932 -97.29393 5.39538 2.62610 -97.06994 1033.16971
3035.0000 -102.39288 -97.35450 5.03838 2.57066 -97.76092 979.01809
3040.0000 -104.00045 -98.92032 5.08013 2.58828 -97.54140 983.77029
3045.0000 -104.56341 -99.52064 5.04277 2.47696 -98.92880 953.08912
3050.0000 -103.14939 -96.67314 6.47626 2.50758 -98.54707 962.19299
3055.0000 -102.79695 -97.73212 5.06483 2.62337 -97.10405 1037.24478
3060.0000 -104.25595 -99.37345 4.88250 2.47141 -98.99792 920.30662
3065.0000 -105.20452 -100.19623 5.00829 2.39741 -99.92023 844.77060
3070.0000 -104.12602 -98.92801 5.19802 2.41052 -99.75688 872.15782
3075.0000 -103.00768 -97.16482 5.84286 2.57696 -97.68247 1013.93638
3080.0000 -104.15744 -99.00076 5.15668 2.54261 -98.11050 925.17888
3085.0000 -104.04263 -97.61079 6.43184 2.51675 -98.43280 926.52397
3090.0000 -103.46518 -96.47601 6.98917 2.64524 -96.83145 1047.26162
3095.0000 -102.73884 -97.11762 5.62122 2.66775 -96.55091 1091.71176
3100.0000 -104.10972 -98.78282 5.32690 2.55754 -97.92443 964.56164
3105.0000 -104.57699 -98.91485 5.66214 2.52206 -98.36668 952.11808
3110.0000 -103.28637 -98.30162 4.98475 2.53769 -98.17184 940.90180
3115.0000 -102.84019 -97.81301 5.02718 2.57178 -97.74698 937.06340
3120.0000 -103.36756 -97.51116 5.85640 2.60772 -97.29901 986.89168
3125.0000 -103.74878 -97.58307 6.16571 2.61905 -97.15782 1004.25231
3130.0000 -103.67813 -98.85554 4.82260 2.57621 -97.69178 981.11212
3135.0000 -103.35747 -97.78137 5.57610 2.42118 -99.62394 879.91473
3140.0000 -104.66464 -99.18042 5.48422 2.51809 -98.41619 946.60771
3145.0000 -103.38871 -98.77875 4.60996 2.49338 -98.72407 923.33454
3150.0000 -104.28393 -97.73234 6.55159 2.48550 -98.82227 922.85945
3155.0000 -102.88272 -98.21130 4.67142 2.57013 -97.76749 981.24521
3160.0000 -102.46907 -97.08231 5.38676 2.61149 -97.25203 1022.11069
3165.0000 -103.72426 -96.51401 7.21024 2.65428 -96.71877 1094.11265
3170.0000 -102.07693 -96.34912 5.72781 2.73099 -95.76272 1120.88053
3175.0000 -103.43288 -98.68467 4.74821 2.63128 -97.00546 995.75194
3180.0000 -103.87267 -98.18686 5.68581 2.47016 -99.01353 891.86823
3185.0000 -102.84379 -96.68027 6.16352 2.59011 -97.51850 993.75811
3190.0000 -102.72602 -96.87814 5.84789 2.59954 -97.40094 1002.73271
3195.0000 -101.81294 -96.65837 5.15457 2.65757 -96.67774 1074.84124
3200.0000 -103.61856 -98.84619 4.77237 2.56821 -97.79152 998.32906
3205.0000 -104.93147 -99.90046 5.03101 2.43727 -99.42341 892.23947
3210.0000 -103.50620 -98.77507 4.73113 2.42951 -99.52013 888.04998
3215.0000 -104.67165 -99.13686 5.53479 2.45255 -99.23301 842.71628
3220.0000 -103.59518 -97.72971 5.86547 2.54009 -98.14198 955.26983
3225.0000 -104.36714 -98.39554 5.97160 2.55489 -97.95754 978.27985
3230.0000 -104.26968 -98.71499 5.55469 2.54196 -98.11866 959.56019
3235.0000 -104.50958 -99.88873 4.62085 2.41480 -99.70346 860.81799
3240.0000 -105.08556 -100.32337 4.76219 2.35680 -100.42638 831.58304
3245.0000 -104.37242 -99.94346 4.42896 2.37183 -100.23897 841.61438
3250.0000 -103.30703 -98.71006 4.59696 2.41085 -99.75275 850.63124
FREEZING PROCESS: loop number 14 T-loop= 915.00000000000000
main_MD> interactions number 14 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12569 -1.63277 -2.32779
force_rgl> df(natom) 2.88652 -1.51299 -2.10243
3255.0000 -103.45941 -99.70268 3.75673 2.47468 -98.95714 889.05101
3260.0000 -105.41533 -100.76537 4.64995 2.43207 -99.48818 865.97546
3265.0000 -104.55043 -99.56069 4.98974 2.35338 -100.46892 801.73255
3270.0000 -103.12093 -98.00235 5.11859 2.50520 -98.57679 935.87493
3275.0000 -102.90879 -98.24429 4.66449 2.50988 -98.51846 925.13665
3280.0000 -102.86549 -98.63973 4.22576 2.55779 -97.92128 949.00607
3285.0000 -102.55423 -97.48555 5.06868 2.59773 -97.42358 993.68620
3290.0000 -102.16704 -97.33020 4.83684 2.52601 -98.31742 937.46106
3295.0000 -105.09008 -98.99079 6.09929 2.50641 -98.56171 933.72076
3300.0000 -104.58355 -99.03240 5.55115 2.48514 -98.82683 921.95184
3305.0000 -103.97940 -99.53836 4.44104 2.44619 -99.31227 929.31562
3310.0000 -103.99511 -98.26059 5.73451 2.56264 -97.86089 966.66816
3315.0000 -104.78220 -98.15695 6.62525 2.53010 -98.26651 966.69142
3320.0000 -105.52055 -99.51355 6.00700 2.51868 -98.40884 951.02373
3325.0000 -104.71526 -99.54898 5.16628 2.41298 -99.72616 875.38494
3330.0000 -103.25148 -98.67983 4.57166 2.42209 -99.61263 870.47410
3335.0000 -104.05694 -98.92684 5.13010 2.49485 -98.70579 900.15486
3340.0000 -102.81560 -97.78055 5.03505 2.54416 -98.09126 957.38239
3345.0000 -105.31475 -100.18675 5.12801 2.45724 -99.17448 897.32190
3350.0000 -103.95506 -99.06853 4.88654 2.37940 -100.14468 850.15092
3355.0000 -104.24015 -98.43468 5.80546 2.53687 -98.18203 958.63117
3360.0000 -103.14590 -96.98105 6.16485 2.56193 -97.86970 996.37230
3365.0000 -104.39299 -99.07561 5.31738 2.56095 -97.88201 959.27492
3370.0000 -104.57811 -99.83630 4.74181 2.43080 -99.50401 920.84952
3375.0000 -105.32392 -100.38359 4.94033 2.38866 -100.02932 831.91029
3380.0000 -103.72064 -98.58129 5.13935 2.41414 -99.71167 804.38204
3385.0000 -103.24868 -97.73177 5.51691 2.49030 -98.76250 916.44572
3390.0000 -101.53971 -96.41087 5.12884 2.62492 -97.08468 1021.54560
3395.0000 -102.97523 -98.14617 4.82906 2.63521 -96.95646 1004.62054
3400.0000 -103.81910 -97.61291 6.20619 2.58673 -97.56067 965.66544
3405.0000 -104.40119 -99.57817 4.82303 2.45378 -99.21771 910.06963
3410.0000 -104.24224 -98.48787 5.75437 2.55482 -97.95838 968.17031
3415.0000 -103.32912 -97.45862 5.87050 2.57191 -97.74531 984.68574
3420.0000 -105.35151 -97.78373 7.56778 2.56759 -97.79925 944.69184
3425.0000 -103.91107 -99.07489 4.83618 2.50691 -98.55546 942.10310
3430.0000 -103.67199 -98.18588 5.48611 2.47151 -98.99672 907.11038
3435.0000 -103.96947 -98.44687 5.52260 2.52386 -98.34425 946.68456
3440.0000 -102.84421 -97.95902 4.88519 2.53901 -98.15541 974.41050
3445.0000 -103.72034 -97.99793 5.72241 2.55119 -98.00363 964.92818
3450.0000 -103.19761 -96.82367 6.37394 2.62696 -97.05930 980.53664
3455.0000 -104.38383 -98.91982 5.46401 2.57617 -97.69232 994.30572
3460.0000 -104.20017 -99.29842 4.90175 2.50699 -98.55453 930.52660
3465.0000 -103.95866 -98.96840 4.99026 2.50760 -98.54694 950.33735
3470.0000 -103.46377 -99.24550 4.21826 2.47340 -98.97314 871.91028
3475.0000 -104.23311 -98.75584 5.47726 2.48075 -98.88154 877.67723
3480.0000 -103.76098 -98.70148 5.05950 2.50691 -98.55543 930.39772
3485.0000 -105.07920 -100.28927 4.78993 2.43686 -99.42851 866.11035
3490.0000 -105.01489 -101.12243 3.89246 2.33271 -100.72662 776.84110
3495.0000 -104.22188 -98.20782 6.01406 2.40950 -99.76959 900.73336
3500.0000 -103.06400 -97.02491 6.03909 2.59794 -97.42099 1017.06796
FREEZING PROCESS: loop number 15 T-loop= 890.00000000000000
main_MD> interactions number 15 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03474 -1.18941 -0.62335
force_rgl> df(natom) 4.12120 -3.03365 1.22279
3505.0000 -102.42080 -97.00037 5.42043 2.64935 -96.78014 1043.84675
3510.0000 -103.28902 -99.32045 3.96858 2.55983 -97.89598 959.00314
3515.0000 -103.78939 -98.58929 5.20010 2.45287 -99.22898 917.72790
3520.0000 -104.47418 -98.72304 5.75114 2.53106 -98.25446 997.70506
3525.0000 -103.09647 -97.67207 5.42440 2.48511 -98.82722 887.87153
3530.0000 -105.56078 -100.97308 4.58771 2.42724 -99.54849 891.93032
3535.0000 -103.90316 -98.00793 5.89522 2.42775 -99.54210 883.57403
3540.0000 -102.73154 -96.88901 5.84253 2.54655 -98.06139 952.96235
3545.0000 -103.31088 -98.51751 4.79336 2.61691 -97.18450 1053.57409
3550.0000 -105.59053 -100.40541 5.18512 2.44507 -99.32619 918.71955
3555.0000 -104.62812 -100.37067 4.25745 2.39247 -99.98172 872.55600
3560.0000 -104.89990 -99.09884 5.80106 2.35658 -100.42904 836.79780
3565.0000 -104.49633 -99.36439 5.13194 2.45000 -99.26476 879.52709
3570.0000 -103.36580 -97.47204 5.89376 2.50376 -98.59480 916.34101
3575.0000 -102.95031 -97.29924 5.65107 2.64349 -96.85329 1020.55953
3580.0000 -103.09779 -98.35317 4.74462 2.53493 -98.20626 928.03994
3585.0000 -104.20420 -99.42067 4.78353 2.50220 -98.61420 901.21652
3590.0000 -105.73295 -101.08952 4.64343 2.39359 -99.96781 849.55788
3595.0000 -104.67318 -99.44072 5.23246 2.30037 -101.12965 784.86038
3600.0000 -105.30330 -100.38776 4.91554 2.45833 -99.16093 872.25273
3605.0000 -104.68756 -99.70305 4.98450 2.41434 -99.70925 860.66077
3610.0000 -105.36905 -100.49555 4.87350 2.39796 -99.91331 824.90416
3615.0000 -105.43432 -101.77823 3.65608 2.29696 -101.17217 770.08389
3620.0000 -104.94756 -100.16522 4.78234 2.30049 -101.12811 781.57056
3625.0000 -105.36500 -100.34422 5.02078 2.41877 -99.65402 851.88723
3630.0000 -104.03681 -99.09955 4.93725 2.38161 -100.11720 819.76508
3635.0000 -104.62843 -99.74221 4.88622 2.45685 -99.17939 868.03311
3640.0000 -104.57519 -99.57300 5.00219 2.40650 -99.80693 842.76999
3645.0000 -103.79287 -98.75272 5.04015 2.43787 -99.41593 880.95605
3650.0000 -104.53952 -98.76494 5.77458 2.45020 -99.26230 865.94244
3655.0000 -104.54273 -99.64643 4.89629 2.42457 -99.58177 878.92948
3660.0000 -104.39820 -99.27007 5.12814 2.39976 -99.89091 807.93264
3665.0000 -103.99387 -99.01150 4.98237 2.49660 -98.68399 872.25331
3670.0000 -104.46377 -99.13941 5.32435 2.43198 -99.48934 818.78943
3675.0000 -103.23115 -98.39683 4.83433 2.46431 -99.08646 865.17095
3680.0000 -103.38629 -98.49458 4.89171 2.47853 -98.90915 940.69154
3685.0000 -103.91616 -98.37553 5.54063 2.54684 -98.05781 956.67082
3690.0000 -104.58700 -100.07550 4.51150 2.52587 -98.31919 957.19634
3695.0000 -104.89167 -100.69872 4.19295 2.41046 -99.75753 876.95455
3700.0000 -105.88032 -101.18718 4.69314 2.33478 -100.70074 822.33458
3705.0000 -104.26525 -98.90129 5.36396 2.37556 -100.19249 860.81573
3710.0000 -104.29883 -99.55335 4.74548 2.38383 -100.08950 843.96219
3715.0000 -103.72013 -98.33920 5.38093 2.43622 -99.43649 874.64155
3720.0000 -105.73065 -100.09078 5.63987 2.44593 -99.31553 889.88938
3725.0000 -103.81631 -99.10554 4.71077 2.40089 -99.87682 863.45860
3730.0000 -104.14059 -98.35448 5.78610 2.51878 -98.40749 928.12649
3735.0000 -103.73825 -98.77952 4.95873 2.51760 -98.42230 966.74659
3740.0000 -104.68796 -100.00324 4.68471 2.40727 -99.79731 854.37836
3745.0000 -104.37402 -100.00768 4.36634 2.39583 -99.93992 848.66959
3750.0000 -103.96631 -99.79179 4.17451 2.46010 -99.13894 890.07322
FREEZING PROCESS: loop number 16 T-loop= 865.00000000000000
main_MD> interactions number 16 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.01114 -1.85824 -0.08855
force_rgl> df(natom) -2.80069 2.82690 -22.26779
3755.0000 -106.09601 -101.70752 4.38850 2.34218 -100.60857 810.91929
3760.0000 -105.62529 -100.53511 5.09019 2.29913 -101.14516 767.81824
3765.0000 -104.89533 -100.66397 4.23136 2.26618 -101.55584 748.74346
3770.0000 -104.80354 -100.43936 4.36417 2.36025 -100.38331 836.94572
3775.0000 -104.45956 -99.90767 4.55189 2.33434 -100.70630 825.09007
3780.0000 -104.83664 -101.01002 3.82662 2.32323 -100.84480 761.99595
3785.0000 -104.82059 -100.54621 4.27438 2.34892 -100.52454 771.64740
3790.0000 -104.58586 -100.27696 4.30890 2.36740 -100.29424 802.64561
3795.0000 -104.95883 -99.91083 5.04800 2.38217 -100.11010 847.93609
3800.0000 -103.55190 -99.35724 4.19466 2.43868 -99.40583 885.00220
3805.0000 -103.88550 -98.72360 5.16190 2.45524 -99.19947 903.33656
3810.0000 -104.05916 -99.46998 4.58917 2.45641 -99.18484 880.71932
3815.0000 -103.33810 -98.95712 4.38099 2.40072 -99.87894 829.55273
3820.0000 -103.88350 -99.59385 4.28965 2.49671 -98.68261 939.12206
3825.0000 -103.94562 -98.83377 5.11184 2.43333 -99.47259 871.90444
3830.0000 -103.45088 -98.66732 4.78357 2.44687 -99.30378 884.23256
3835.0000 -103.46930 -98.18616 5.28313 2.51408 -98.46610 916.01436
3840.0000 -104.62627 -99.39402 5.23225 2.48500 -98.82858 906.10893
3845.0000 -104.29815 -99.65402 4.64413 2.39725 -99.92221 837.62511
3850.0000 -104.21493 -99.49030 4.72463 2.42532 -99.57242 837.23282
3855.0000 -104.98141 -99.22127 5.76013 2.46334 -99.09853 904.28317
3860.0000 -105.26147 -100.93065 4.33082 2.38723 -100.04713 853.95210
3865.0000 -105.12347 -101.13953 3.98393 2.29644 -101.17870 812.34876
3870.0000 -104.06344 -99.48070 4.58274 2.41845 -99.65797 853.75571
3875.0000 -104.21652 -98.99785 5.21867 2.45051 -99.25845 883.74079
3880.0000 -104.30876 -99.81343 4.49532 2.48738 -98.79891 937.73883
3885.0000 -103.58311 -99.07865 4.50446 2.39619 -99.93538 844.21874
3890.0000 -104.86640 -99.61691 5.24948 2.42804 -99.53852 861.48443
3895.0000 -104.85992 -99.43554 5.42439 2.40928 -99.77228 857.02306
3900.0000 -104.78586 -99.40448 5.38138 2.43728 -99.42335 859.12588
3905.0000 -103.15895 -99.21917 3.93978 2.47195 -98.99120 882.87725
3910.0000 -104.27739 -99.20863 5.06877 2.44139 -99.37202 845.43418
3915.0000 -102.40798 -96.37071 6.03727 2.56697 -97.80692 943.47682
3920.0000 -102.64824 -96.61833 6.02991 2.63571 -96.95014 979.14496
3925.0000 -104.27776 -99.12703 5.15073 2.53232 -98.23876 973.52886
3930.0000 -104.66484 -99.09142 5.57342 2.45926 -99.14941 901.66355
3935.0000 -104.05697 -99.09579 4.96119 2.48658 -98.80880 965.41847
3940.0000 -105.70324 -100.92657 4.77667 2.37143 -100.24399 840.35619
3945.0000 -104.26420 -99.51438 4.74983 2.36057 -100.37941 809.33769
3950.0000 -104.54534 -100.12480 4.42054 2.37056 -100.25485 815.02373
3955.0000 -104.78447 -100.21938 4.56509 2.37077 -100.25229 827.06811
3960.0000 -105.09625 -100.45420 4.64206 2.34414 -100.58412 822.24341
3965.0000 -104.04895 -99.55739 4.49156 2.41058 -99.75603 856.30977
3970.0000 -104.59133 -99.23593 5.35540 2.45239 -99.23499 918.28873
3975.0000 -104.53343 -100.28142 4.25201 2.44261 -99.35690 874.68151
3980.0000 -104.47629 -99.73902 4.73727 2.39788 -99.91442 826.53895
3985.0000 -104.40436 -99.81649 4.58787 2.43415 -99.46235 876.66682
3990.0000 -105.14932 -99.87317 5.27615 2.41375 -99.71652 856.77899
3995.0000 -104.43893 -99.56195 4.87698 2.40151 -99.86913 853.49353
4000.0000 -105.57525 -101.50670 4.06855 2.34876 -100.52651 761.76332
FREEZING PROCESS: loop number 17 T-loop= 840.00000000000000
main_MD> interactions number 17 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74727 1.82782 -1.17854
force_rgl> df(natom) 5.49934 -0.48094 0.89624
4005.0000 -105.02242 -99.96918 5.05324 2.30307 -101.09599 818.76501
4010.0000 -104.56106 -98.77667 5.78439 2.36324 -100.34608 818.91109
4015.0000 -105.15812 -100.58267 4.57545 2.39706 -99.92455 845.43922
4020.0000 -104.98698 -100.16782 4.81917 2.35574 -100.43952 861.94203
4025.0000 -102.84886 -98.30803 4.54083 2.45259 -99.23247 894.73089
4030.0000 -104.09505 -99.14623 4.94882 2.43668 -99.43083 857.97890
4035.0000 -104.78351 -100.26479 4.51872 2.42835 -99.53459 849.71202
4040.0000 -104.77249 -98.90399 5.86850 2.43739 -99.42192 869.46075
4045.0000 -104.71281 -99.75090 4.96191 2.44533 -99.32302 902.23856
4050.0000 -104.10051 -99.00839 5.09212 2.43181 -99.49151 872.66239
4055.0000 -104.37865 -98.82736 5.55129 2.45867 -99.15673 877.55141
4060.0000 -104.66947 -98.66429 6.00518 2.45376 -99.21794 859.25845
4065.0000 -104.30056 -100.05904 4.24152 2.48364 -98.84553 922.16840
4070.0000 -104.38890 -99.97066 4.41824 2.37552 -100.19308 814.48166
4075.0000 -105.08020 -99.88563 5.19456 2.42986 -99.51582 868.56805
4080.0000 -105.30496 -100.77156 4.53340 2.36654 -100.30500 796.05512
4085.0000 -104.44792 -98.41360 6.03433 2.35583 -100.43849 824.45076
4090.0000 -104.08824 -98.45339 5.63485 2.54221 -98.11556 970.89843
4095.0000 -104.80603 -98.87420 5.93183 2.51948 -98.39886 929.17377
4100.0000 -103.77746 -99.13431 4.64315 2.50323 -98.60133 987.50369
4105.0000 -103.35678 -98.59980 4.75698 2.47515 -98.95130 911.66309
4110.0000 -105.42569 -100.00389 5.42180 2.49333 -98.72478 908.25794
4115.0000 -104.09816 -99.10648 4.99168 2.37587 -100.18862 841.43434
4120.0000 -104.50946 -98.52783 5.98163 2.48016 -98.88883 887.68019
4125.0000 -105.66117 -100.12610 5.53506 2.44347 -99.34611 892.84011
4130.0000 -105.51093 -100.78925 4.72168 2.30833 -101.03049 797.29491
4135.0000 -105.87161 -102.02141 3.85020 2.29605 -101.18356 794.71639
4140.0000 -105.22276 -101.02750 4.19526 2.27324 -101.46775 777.54329
4145.0000 -105.64775 -101.02131 4.62645 2.33657 -100.67850 808.79193
4150.0000 -104.83772 -101.02365 3.81407 2.33240 -100.73041 823.56054
4155.0000 -105.48625 -100.02554 5.46071 2.33974 -100.63901 784.62553
4160.0000 -104.07443 -98.68470 5.38973 2.45280 -99.22983 910.72972
4165.0000 -105.23761 -100.42262 4.81499 2.43783 -99.41646 879.21317
4170.0000 -104.95037 -100.50331 4.44707 2.35633 -100.43219 831.78020
4175.0000 -105.08649 -98.85523 6.23126 2.39392 -99.96367 833.45002
4180.0000 -105.28770 -100.32478 4.96292 2.41723 -99.67323 858.71502
4185.0000 -105.08307 -100.98325 4.09982 2.39409 -99.96165 829.57550
4190.0000 -105.06455 -100.44951 4.61504 2.35473 -100.45218 821.94840
4195.0000 -104.88091 -98.89854 5.98238 2.38443 -100.08205 824.58043
4200.0000 -104.00417 -98.56447 5.43970 2.46070 -99.13146 900.30751
4205.0000 -104.51235 -98.84454 5.66781 2.49096 -98.75432 917.53651
4210.0000 -105.45658 -100.56739 4.88918 2.43688 -99.42832 899.20095
4215.0000 -103.92206 -99.39885 4.52321 2.39333 -99.97112 837.00215
4220.0000 -103.79993 -99.41657 4.38336 2.42911 -99.52512 824.28628
4225.0000 -104.74736 -100.24358 4.50378 2.40783 -99.79040 850.07373
4230.0000 -106.36106 -102.24169 4.11937 2.29935 -101.14233 779.91774
4235.0000 -105.98949 -101.03441 4.95508 2.23158 -101.98703 727.58266
4240.0000 -104.49720 -100.54831 3.94889 2.34617 -100.55879 810.01708
4245.0000 -105.76492 -101.49652 4.26840 2.28509 -101.32013 723.18779
4250.0000 -106.54919 -101.71683 4.83236 2.27110 -101.49445 735.60792
FREEZING PROCESS: loop number 18 T-loop= 815.00000000000000
main_MD> interactions number 18 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.64449 -2.40428 2.26159
force_rgl> df(natom) -0.28411 -1.69177 1.62248
4255.0000 -105.60757 -101.80462 3.80295 2.25669 -101.67411 755.62235
4260.0000 -105.55398 -100.86247 4.69151 2.32026 -100.88176 761.15556
4265.0000 -103.61289 -98.67402 4.93887 2.43407 -99.46326 903.78084
4270.0000 -103.21404 -97.89852 5.31553 2.50312 -98.60270 920.38301
4275.0000 -103.54872 -98.33109 5.21764 2.53470 -98.20910 943.55729
4280.0000 -103.35325 -98.45608 4.89717 2.47764 -98.92031 927.24475
4285.0000 -104.45643 -99.48485 4.97158 2.45346 -99.22170 837.89964
4290.0000 -104.30871 -99.54552 4.76319 2.46389 -99.09170 897.75298
4295.0000 -105.10916 -100.34931 4.75985 2.34714 -100.54670 829.25461
4300.0000 -105.09467 -100.94263 4.15204 2.29957 -101.13966 782.96076
4305.0000 -105.16508 -100.12146 5.04362 2.35404 -100.46074 818.48244
4310.0000 -104.58110 -99.07096 5.51013 2.43780 -99.41685 898.40743
4315.0000 -105.02830 -101.08416 3.94413 2.39642 -99.93252 852.70845
4320.0000 -103.97924 -99.14695 4.83228 2.35265 -100.47804 820.73688
4325.0000 -105.36822 -100.17494 5.19328 2.39899 -99.90053 826.10989
4330.0000 -104.51577 -98.81760 5.69817 2.40320 -99.84803 832.47796
4335.0000 -105.40432 -100.14726 5.25706 2.47341 -98.97302 903.36404
4340.0000 -105.77016 -101.64468 4.12548 2.32892 -100.77385 815.53329
4345.0000 -105.90271 -102.07580 3.82691 2.26767 -101.53722 757.86205
4350.0000 -106.72393 -101.42090 5.30303 2.26561 -101.56284 794.57238
4355.0000 -105.46538 -101.21955 4.24583 2.28336 -101.34171 776.14969
4360.0000 -104.40819 -100.36611 4.04208 2.34175 -100.61389 849.32471
4365.0000 -105.20188 -100.30903 4.89285 2.35412 -100.45975 834.88371
4370.0000 -105.28520 -99.53685 5.74835 2.34508 -100.57249 812.62131
4375.0000 -104.72324 -100.45085 4.27239 2.38396 -100.08787 852.15525
4380.0000 -105.78349 -102.11759 3.66590 2.29239 -101.22915 780.21152
4385.0000 -105.36308 -101.09781 4.26527 2.26932 -101.51667 755.63053
4390.0000 -106.40289 -101.67491 4.72798 2.25744 -101.66467 766.87203
4395.0000 -104.59494 -100.18775 4.40720 2.33158 -100.74066 801.86851
4400.0000 -103.69761 -99.89367 3.80394 2.38724 -100.04695 863.31005
4405.0000 -104.88472 -99.04245 5.84227 2.42037 -99.63408 867.47944
4410.0000 -104.65215 -100.53719 4.11496 2.45663 -99.18208 891.99362
4415.0000 -104.29414 -99.41973 4.87441 2.38183 -100.11445 821.74758
4420.0000 -104.80934 -99.73412 5.07523 2.39986 -99.88973 820.11088
4425.0000 -105.86106 -101.28378 4.57728 2.33350 -100.71679 821.11310
4430.0000 -105.01481 -100.69545 4.31936 2.31566 -100.93905 779.92728
4435.0000 -105.23928 -100.03795 5.20132 2.38037 -100.13265 820.93275
4440.0000 -103.84971 -99.42038 4.42933 2.38300 -100.09978 811.18060
4445.0000 -103.54207 -98.85475 4.68732 2.43108 -99.50053 866.36579
4450.0000 -105.09289 -99.48828 5.60461 2.45398 -99.21514 897.92053
4455.0000 -105.71147 -99.89881 5.81266 2.44894 -99.27804 888.52387
4460.0000 -104.99126 -100.64888 4.34239 2.37727 -100.17125 827.93282
4465.0000 -105.46384 -99.79148 5.67235 2.37735 -100.17029 827.43090
4470.0000 -104.54455 -99.52507 5.01948 2.36918 -100.27201 785.26976
4475.0000 -104.35158 -100.10827 4.24331 2.44123 -99.37405 899.02652
4480.0000 -104.23530 -99.61791 4.61740 2.41108 -99.74981 870.18100
4485.0000 -104.57282 -99.34862 5.22420 2.44379 -99.34212 867.05405
4490.0000 -103.44601 -97.72824 5.71777 2.50246 -98.61098 910.34278
4495.0000 -105.48110 -100.19304 5.28806 2.43749 -99.42071 898.45943
4500.0000 -106.39516 -101.99975 4.39540 2.30436 -101.07992 818.92395
FREEZING PROCESS: loop number 19 T-loop= 790.00000000000000
main_MD> interactions number 19 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46042 1.37569 0.63063
force_rgl> df(natom) 0.12606 -1.39707 0.88834
4505.0000 -105.87635 -102.08282 3.79353 2.21932 -102.13980 727.90193
4510.0000 -105.91207 -101.50798 4.40408 2.27589 -101.43471 739.59568
4515.0000 -104.33419 -100.90722 3.42697 2.30753 -101.04045 749.60258
4520.0000 -103.79839 -98.30713 5.49125 2.42515 -99.57449 826.72892
4525.0000 -103.96870 -100.00354 3.96515 2.43893 -99.40280 863.00112
4530.0000 -105.45480 -100.49778 4.95701 2.36812 -100.28528 799.37324
4535.0000 -104.94280 -101.46173 3.48107 2.29192 -101.23494 749.46498
4540.0000 -106.89666 -101.93204 4.96462 2.26434 -101.57870 770.71303
4545.0000 -105.08490 -99.62567 5.45923 2.35213 -100.48461 825.36491
4550.0000 -104.73650 -100.25686 4.47963 2.37416 -100.20994 830.28156
4555.0000 -104.16885 -99.17676 4.99209 2.48007 -98.88993 950.53741
4560.0000 -104.68937 -99.99241 4.69695 2.43466 -99.45601 857.65036
4565.0000 -105.65139 -100.39682 5.25457 2.41834 -99.65931 863.29188
4570.0000 -104.33223 -99.77742 4.55481 2.38529 -100.07127 834.86834
4575.0000 -104.60894 -100.02450 4.58444 2.37795 -100.16273 847.70676
4580.0000 -104.41287 -100.14819 4.26468 2.36899 -100.27441 862.42355
4585.0000 -106.61084 -101.71566 4.89518 2.31337 -100.96765 794.02496
4590.0000 -106.42663 -102.24733 4.17930 2.24140 -101.86458 755.43983
4595.0000 -106.22139 -101.81077 4.41061 2.24369 -101.83613 747.68512
4600.0000 -106.47209 -101.67257 4.79953 2.27515 -101.44395 741.63133
4605.0000 -105.76591 -100.91393 4.85198 2.33074 -100.75118 788.78681
4610.0000 -104.36634 -99.34209 5.02425 2.34622 -100.55817 776.02249
4615.0000 -103.69902 -98.79702 4.90201 2.48189 -98.86731 891.53163
4620.0000 -104.52772 -100.02642 4.50130 2.37802 -100.16189 826.67234
4625.0000 -105.22528 -100.95662 4.26865 2.34962 -100.51582 823.84970
4630.0000 -106.20802 -101.48047 4.72754 2.32278 -100.85033 795.95062
4635.0000 -105.81902 -100.65398 5.16504 2.28771 -101.28748 785.19691
4640.0000 -105.01185 -100.07213 4.93972 2.33265 -100.72739 775.92817
4645.0000 -105.20930 -101.63018 3.57912 2.32754 -100.79098 773.44656
4650.0000 -105.36263 -100.42365 4.93897 2.34008 -100.63479 806.08208
4655.0000 -106.59309 -100.92460 5.66849 2.28318 -101.34387 768.54396
4660.0000 -104.59018 -100.12098 4.46921 2.31324 -100.96931 768.96557
4665.0000 -105.57624 -100.95562 4.62062 2.34079 -100.62594 781.86845
4670.0000 -104.38414 -99.38748 4.99666 2.38416 -100.08535 845.30434
4675.0000 -105.61859 -101.84354 3.77505 2.38588 -100.06393 798.98067
4680.0000 -105.97001 -101.89269 4.07733 2.25343 -101.71465 703.33347
4685.0000 -105.88797 -101.35397 4.53400 2.30892 -101.02311 759.64519
4690.0000 -105.74062 -100.19827 5.54234 2.28807 -101.28299 770.55346
4695.0000 -104.83572 -100.02237 4.81335 2.30641 -101.05435 782.63544
4700.0000 -104.82259 -100.01276 4.80984 2.35666 -100.42808 790.20614
4705.0000 -105.17006 -99.86983 5.30022 2.40220 -99.86051 856.56680
4710.0000 -105.73655 -100.87631 4.86025 2.40602 -99.81288 846.36228
4715.0000 -104.74365 -99.96946 4.77419 2.36549 -100.31802 771.78863
4720.0000 -105.29966 -100.87590 4.42376 2.36762 -100.29153 807.61692
4725.0000 -105.68476 -101.42024 4.26453 2.30845 -101.02897 763.24225
4730.0000 -104.98754 -101.22532 3.76222 2.24386 -101.83394 719.88198
4735.0000 -106.34597 -101.36578 4.98018 2.32419 -100.83280 793.83934
4740.0000 -105.66054 -101.70733 3.95321 2.29912 -101.14519 772.36887
4745.0000 -105.57835 -101.69435 3.88400 2.32832 -100.78128 816.20827
4750.0000 -105.28790 -101.67152 3.61638 2.28338 -101.34138 766.58966
FREEZING PROCESS: loop number 20 T-loop= 765.00000000000000
main_MD> interactions number 20 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19561 0.30189 -0.52451
force_rgl> df(natom) -0.26040 -0.50993 2.71233
4755.0000 -105.29611 -101.08735 4.20876 2.26793 -101.53397 759.68430
4760.0000 -105.91026 -102.43962 3.47063 2.26103 -101.62001 738.27411
4765.0000 -106.32771 -102.19980 4.12791 2.24617 -101.80513 714.86667
4770.0000 -106.36534 -101.95368 4.41165 2.22657 -102.04940 739.58763
4775.0000 -105.45035 -101.51385 3.93650 2.21776 -102.15924 683.57195
4780.0000 -106.04903 -101.57288 4.47615 2.23677 -101.92236 733.61442
4785.0000 -106.40088 -100.97683 5.42405 2.26777 -101.53594 723.06708
4790.0000 -106.36054 -100.34852 6.01202 2.32319 -100.84520 824.04745
4795.0000 -106.17265 -100.95907 5.21358 2.29258 -101.22671 784.18164
4800.0000 -105.96558 -101.68862 4.27696 2.31982 -100.88722 775.75869
4805.0000 -105.95905 -102.32209 3.63697 2.23424 -101.95383 734.10294
4810.0000 -105.69082 -101.18550 4.50532 2.29749 -101.16557 740.26782
4815.0000 -104.17429 -100.19494 3.97935 2.33074 -100.75110 812.69084
4820.0000 -104.44598 -100.13810 4.30788 2.34918 -100.52133 772.92835
4825.0000 -103.27133 -98.04896 5.22237 2.48558 -98.82134 908.21266
4830.0000 -105.64413 -101.08658 4.55754 2.40110 -99.87422 834.83596
4835.0000 -104.89370 -100.78671 4.10699 2.34097 -100.62366 801.01907
4840.0000 -106.57684 -102.46135 4.11549 2.25165 -101.73686 743.50107
4845.0000 -105.45754 -101.32835 4.12919 2.23121 -101.99168 702.12165
4850.0000 -106.12303 -102.79889 3.32414 2.24551 -101.81334 709.67574
4855.0000 -105.27469 -100.84041 4.43428 2.23940 -101.88960 720.84892
4860.0000 -106.86512 -102.80493 4.06019 2.22989 -102.00807 707.97922
4865.0000 -104.87006 -101.05797 3.81209 2.20394 -102.33150 720.87599
4870.0000 -105.78031 -101.64783 4.13248 2.27342 -101.46560 751.22332
4875.0000 -105.88229 -101.35758 4.52471 2.23069 -101.99806 723.39498
4880.0000 -104.90035 -100.82868 4.07167 2.33281 -100.72532 767.38891
4885.0000 -105.61910 -101.04101 4.57809 2.28353 -101.33960 742.20543
4890.0000 -105.71485 -101.44693 4.26793 2.32722 -100.79498 810.55230
4895.0000 -106.33608 -102.61281 3.72327 2.23694 -101.92025 730.62321
4900.0000 -105.29117 -101.07594 4.21522 2.29159 -101.23907 779.61967
4905.0000 -105.30335 -100.75473 4.54863 2.30855 -101.02775 769.21993
4910.0000 -105.98129 -100.76497 5.21633 2.34621 -100.55830 772.34639
4915.0000 -105.88420 -101.41655 4.46765 2.30244 -101.10384 783.34827
4920.0000 -105.67439 -102.00333 3.67106 2.28937 -101.26671 741.22891
4925.0000 -105.23495 -100.36885 4.86610 2.26692 -101.54653 728.61306
4930.0000 -104.18697 -100.45529 3.73168 2.37516 -100.19749 805.89298
4935.0000 -105.00382 -100.12936 4.87446 2.39860 -99.90538 841.46210
4940.0000 -105.92749 -101.48360 4.44389 2.28782 -101.28602 786.86451
4945.0000 -106.48925 -102.45531 4.03394 2.23682 -101.92165 733.06581
4950.0000 -104.62093 -100.64503 3.97591 2.28519 -101.31889 745.43161
4955.0000 -105.00283 -100.89669 4.10614 2.34273 -100.60171 804.33297
4960.0000 -105.45314 -101.50830 3.94484 2.28598 -101.30904 755.57410
4965.0000 -106.82945 -103.20748 3.62197 2.23898 -101.89473 716.32132
4970.0000 -105.97244 -100.36747 5.60497 2.24534 -101.81546 754.36751
4975.0000 -106.24344 -102.58214 3.66130 2.30598 -101.05975 776.64047
4980.0000 -105.55730 -100.90415 4.65315 2.24501 -101.81968 693.85407
4985.0000 -105.60340 -100.64433 4.95907 2.31606 -100.93406 746.00190
4990.0000 -104.07700 -99.02209 5.05491 2.39104 -99.99965 834.17917
4995.0000 -104.09730 -100.22534 3.87197 2.39982 -99.89019 851.87539
5000.0000 -105.84295 -101.80106 4.04189 2.33228 -100.73193 803.58282
FREEZING PROCESS: loop number 21 T-loop= 740.00000000000000
main_MD> interactions number 21 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84126 -0.63289 0.44213
force_rgl> df(natom) -1.05609 -0.78014 -2.31881
5005.0000 -105.65131 -101.79782 3.85348 2.25816 -101.65577 720.61098
5010.0000 -106.90340 -102.44682 4.45659 2.23159 -101.98693 715.35536
5015.0000 -105.56077 -100.72999 4.83079 2.25745 -101.66460 762.00512
5020.0000 -103.82005 -100.08897 3.73108 2.35219 -100.48375 799.39591
5025.0000 -106.28281 -101.40394 4.87888 2.36365 -100.34100 840.17552
5030.0000 -105.65133 -101.33595 4.31538 2.26733 -101.54146 772.39846
5035.0000 -106.48575 -103.33764 3.14811 2.22247 -102.10056 692.04009
5040.0000 -107.52138 -103.63427 3.88710 2.08945 -103.75848 569.63353
5045.0000 -106.95813 -103.57664 3.38149 2.07731 -103.90969 585.08952
5050.0000 -106.86214 -103.71873 3.14341 2.15378 -102.95667 677.36521
5055.0000 -105.35430 -101.49526 3.85904 2.23894 -101.89527 710.83230
5060.0000 -104.92127 -100.64917 4.27210 2.27489 -101.44721 735.96225
5065.0000 -106.23648 -102.50588 3.73059 2.22479 -102.07169 719.12415
5070.0000 -105.42869 -101.25383 4.17487 2.23283 -101.97138 728.09372
5075.0000 -105.19996 -100.85111 4.34885 2.30135 -101.11740 738.33361
5080.0000 -105.57765 -101.34562 4.23203 2.30116 -101.11982 774.72974
5085.0000 -106.12595 -101.53860 4.58735 2.28809 -101.28266 753.62618
5090.0000 -105.72886 -101.73733 3.99154 2.29462 -101.20135 789.55265
5095.0000 -106.13804 -102.10550 4.03255 2.23899 -101.89470 713.81104
5100.0000 -106.32139 -101.62909 4.69230 2.23312 -101.96788 703.48884
5105.0000 -105.95222 -101.69287 4.25935 2.27691 -101.42207 744.72897
5110.0000 -105.10094 -100.64093 4.46001 2.27740 -101.41595 728.28804
5115.0000 -106.67866 -102.49383 4.18483 2.24879 -101.77253 723.93973
5120.0000 -106.62599 -102.08138 4.54460 2.20394 -102.33155 727.35253
5125.0000 -106.19543 -101.58181 4.61361 2.24902 -101.76971 763.60373
5130.0000 -106.42283 -101.62750 4.79533 2.23715 -101.91758 741.05330
5135.0000 -105.94872 -101.57745 4.37127 2.28864 -101.27592 755.89656
5140.0000 -105.91726 -100.95688 4.96038 2.30194 -101.11007 764.98916
5145.0000 -106.85472 -101.76297 5.09176 2.32132 -100.86857 802.14591
5150.0000 -106.09097 -101.64241 4.44857 2.24783 -101.78446 750.22928
5155.0000 -106.02043 -101.52872 4.49171 2.24419 -101.82983 722.00251
5160.0000 -106.63263 -102.80837 3.82425 2.19488 -102.44438 682.89052
5165.0000 -106.22349 -102.27642 3.94707 2.20447 -102.32485 700.39686
5170.0000 -105.96810 -101.57550 4.39260 2.23524 -101.94141 715.52266
5175.0000 -105.95681 -101.20853 4.74828 2.27814 -101.40675 744.59513
5180.0000 -105.93956 -101.17761 4.76196 2.30080 -101.12434 777.13198
5185.0000 -107.32231 -103.73702 3.58529 2.18125 -102.61434 697.13646
5190.0000 -107.11002 -102.60792 4.50210 2.12082 -103.36750 639.18629
5195.0000 -106.00257 -101.16284 4.83973 2.23752 -101.91301 736.17776
5200.0000 -105.49158 -101.62165 3.86993 2.29094 -101.24716 787.79984
5205.0000 -105.07336 -101.28211 3.79125 2.28969 -101.26277 758.46797
5210.0000 -106.11849 -101.62973 4.48876 2.28312 -101.34459 738.44714
5215.0000 -105.77045 -101.16719 4.60325 2.26639 -101.55312 761.76604
5220.0000 -106.08635 -101.10022 4.98613 2.34433 -100.58175 789.97556
5225.0000 -105.84831 -100.23027 5.61804 2.34509 -100.57229 822.29474
5230.0000 -104.53897 -99.88841 4.65057 2.42100 -99.62620 902.69784
5235.0000 -106.61556 -102.28944 4.32612 2.32888 -100.77432 775.92662
5240.0000 -105.80061 -101.21814 4.58247 2.20691 -102.29452 692.01982
5245.0000 -107.03006 -102.33671 4.69336 2.31311 -100.97094 791.71725
5250.0000 -106.08589 -100.95082 5.13507 2.25102 -101.74479 740.82237
FREEZING PROCESS: loop number 22 T-loop= 715.00000000000000
main_MD> interactions number 22 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.40093 0.22137 -4.68833
force_rgl> df(natom) -2.17527 3.34540 -1.02769
5255.0000 -104.22849 -100.18618 4.04231 2.34004 -100.63521 814.50180
5260.0000 -104.48803 -100.01954 4.46849 2.36235 -100.35721 807.59158
5265.0000 -105.52540 -100.89692 4.62848 2.34791 -100.53717 792.78225
5270.0000 -107.07008 -102.73509 4.33499 2.24337 -101.84010 748.62526
5275.0000 -106.25758 -102.93963 3.31795 2.15665 -102.92095 657.87560
5280.0000 -106.18433 -101.55899 4.62534 2.23521 -101.94174 711.21157
5285.0000 -106.03318 -101.65893 4.37425 2.25357 -101.71296 733.27561
5290.0000 -106.68450 -102.62901 4.05549 2.25068 -101.74896 744.15158
5295.0000 -106.58577 -101.70161 4.88416 2.21987 -102.13291 724.08722
5300.0000 -106.35687 -102.03771 4.31916 2.22419 -102.07914 720.25678
5305.0000 -106.57598 -102.73979 3.83620 2.21461 -102.19850 703.30955
5310.0000 -106.73431 -101.84151 4.89280 2.19784 -102.40757 695.11797
5315.0000 -105.88792 -101.98631 3.90161 2.20589 -102.30721 707.70494
5320.0000 -104.83623 -100.10284 4.73338 2.32472 -100.82624 802.63475
5325.0000 -104.57319 -100.56630 4.00689 2.37921 -100.14711 846.62279
5330.0000 -106.26814 -102.00172 4.26643 2.28058 -101.37632 759.67864
5335.0000 -106.57448 -102.58690 3.98758 2.20113 -102.36654 703.89367
5340.0000 -106.03044 -102.96679 3.06365 2.16653 -102.79773 647.64143
5345.0000 -106.84060 -102.54438 4.29622 2.18210 -102.60365 682.02136
5350.0000 -106.17543 -102.44846 3.72697 2.19581 -102.43282 671.01749
5355.0000 -106.54700 -102.11703 4.42997 2.19040 -102.50023 691.23872
5360.0000 -105.91474 -101.15925 4.75548 2.25867 -101.64942 742.04854
5365.0000 -105.93387 -101.43100 4.50288 2.28801 -101.28377 744.82647
5370.0000 -105.07250 -100.55479 4.51770 2.34465 -100.57783 793.13606
5375.0000 -106.07937 -101.16632 4.91305 2.30863 -101.02675 798.68196
5380.0000 -106.87042 -101.05268 5.81774 2.30823 -101.03166 802.03634
5385.0000 -106.40860 -102.39219 4.01640 2.24760 -101.78739 753.25455
5390.0000 -105.68417 -101.30321 4.38096 2.17693 -102.66813 681.41481
5395.0000 -106.10891 -100.74923 5.35967 2.28453 -101.32712 747.64145
5400.0000 -105.28237 -101.13497 4.14740 2.33292 -100.72392 781.61874
5405.0000 -106.22491 -101.92221 4.30270 2.27365 -101.46264 767.70283
5410.0000 -106.29163 -102.64001 3.65163 2.20064 -102.37261 684.99482
5415.0000 -106.48445 -102.60044 3.88400 2.20342 -102.33804 696.81531
5420.0000 -106.28478 -101.46066 4.82412 2.20606 -102.30504 691.76794
5425.0000 -105.94359 -101.61918 4.32442 2.21886 -102.14555 704.66773
5430.0000 -106.10903 -102.67278 3.43624 2.24994 -101.75817 753.65129
5435.0000 -106.39276 -102.42263 3.97013 2.18847 -102.52432 700.14740
5440.0000 -106.32193 -102.30770 4.01423 2.20025 -102.37745 725.41492
5445.0000 -106.63290 -102.94110 3.69181 2.18847 -102.52431 688.94035
5450.0000 -106.72963 -102.56726 4.16237 2.16602 -102.80414 649.28891
5455.0000 -107.02643 -103.61758 3.40885 2.15475 -102.94461 632.20231
5460.0000 -106.26839 -102.64701 3.62138 2.17320 -102.71465 676.59198
5465.0000 -105.64461 -101.29511 4.34950 2.23636 -101.92747 716.77611
5470.0000 -106.18872 -102.28770 3.90102 2.24343 -101.83931 728.51932
5475.0000 -106.66610 -102.58454 4.08156 2.18825 -102.52708 681.64347
5480.0000 -106.22574 -102.41639 3.80935 2.21152 -102.23702 703.10491
5485.0000 -105.62625 -101.73595 3.89031 2.25137 -101.74036 741.07517
5490.0000 -105.59260 -100.62912 4.96348 2.32790 -100.78656 789.80395
5495.0000 -105.61156 -101.52584 4.08572 2.28375 -101.33683 751.55006
5500.0000 -106.47666 -102.54883 3.92783 2.24454 -101.82550 725.21148
FREEZING PROCESS: loop number 23 T-loop= 690.00000000000000
main_MD> interactions number 23 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92692 -2.03670 1.94446
force_rgl> df(natom) 0.99554 1.11884 2.37749
5505.0000 -106.17648 -101.93154 4.24494 2.19167 -102.48446 688.54473
5510.0000 -105.94640 -102.82360 3.12281 2.20404 -102.33025 686.86705
5515.0000 -105.63268 -100.96353 4.66915 2.21787 -102.15786 709.10980
5520.0000 -105.71298 -100.82215 4.89083 2.30045 -101.12861 780.68284
5525.0000 -104.65776 -100.99053 3.66723 2.31761 -100.91485 820.68098
5530.0000 -105.92247 -101.77203 4.15044 2.27530 -101.44209 727.87550
5535.0000 -105.80979 -101.37063 4.43916 2.26593 -101.55884 720.48950
5540.0000 -106.93784 -102.27165 4.66619 2.20154 -102.36141 694.65619
5545.0000 -108.15735 -104.55888 3.59847 2.11951 -103.38380 619.86874
5550.0000 -106.13217 -102.70772 3.42445 2.11407 -103.45158 631.77815
5555.0000 -106.61789 -102.30939 4.30850 2.19911 -102.39168 698.25530
5560.0000 -105.83738 -101.50890 4.32848 2.23417 -101.95477 712.84709
5565.0000 -106.24678 -102.16722 4.07957 2.27117 -101.49364 736.27726
5570.0000 -106.71006 -102.88297 3.82709 2.19084 -102.49483 704.78313
5575.0000 -106.66452 -102.67560 3.98892 2.14439 -103.07372 653.87289
5580.0000 -106.00034 -101.79413 4.20621 2.22943 -102.01381 717.45551
5585.0000 -106.07068 -101.93154 4.13914 2.24781 -101.78479 725.66936
5590.0000 -106.51156 -102.60533 3.90623 2.19775 -102.40862 694.23244
5595.0000 -106.45939 -101.84640 4.61299 2.23927 -101.89122 710.90021
5600.0000 -106.13611 -101.55428 4.58183 2.31611 -100.93344 783.20485
5605.0000 -106.60745 -102.82245 3.78500 2.21329 -102.21493 685.33952
5610.0000 -107.68240 -103.47164 4.21076 2.08733 -103.78483 606.83362
5615.0000 -106.91875 -102.96860 3.95015 2.08449 -103.82020 604.03660
5620.0000 -107.08852 -102.24624 4.84228 2.16456 -102.82235 669.86003
5625.0000 -106.64440 -102.41391 4.23049 2.16819 -102.77708 696.46064
5630.0000 -105.71872 -102.84895 2.86977 2.18255 -102.59815 692.24547
5635.0000 -106.71681 -103.08408 3.63273 2.18574 -102.55828 664.35371
5640.0000 -106.90471 -102.67413 4.23058 2.13276 -103.21870 642.05907
5645.0000 -107.26910 -103.44115 3.82795 2.16585 -102.80621 679.97156
5650.0000 -106.32633 -102.97791 3.34842 2.15501 -102.94138 611.96355
5655.0000 -105.48484 -101.55461 3.93024 2.19204 -102.47976 649.98132
5660.0000 -105.39939 -101.90680 3.49260 2.27724 -101.41795 726.21154
5665.0000 -106.59788 -101.92405 4.67383 2.25649 -101.67658 771.92435
5670.0000 -106.47182 -102.71461 3.75722 2.17939 -102.63753 703.42482
5675.0000 -108.09196 -104.55423 3.53772 2.08420 -103.82389 634.73271
5680.0000 -106.82440 -101.77849 5.04591 2.15222 -102.97609 667.75290
5685.0000 -104.80329 -101.14420 3.65909 2.26927 -101.51730 752.67642
5690.0000 -105.13387 -101.30661 3.82725 2.28537 -101.31659 772.06891
5695.0000 -106.01945 -102.63474 3.38472 2.19311 -102.46649 685.90441
5700.0000 -105.54929 -100.55219 4.99710 2.26510 -101.56919 740.74647
5705.0000 -105.66200 -101.72767 3.93433 2.28095 -101.37167 739.58014
5710.0000 -106.40750 -102.67120 3.73630 2.21181 -102.23338 704.03847
5715.0000 -106.02706 -103.00143 3.02564 2.16547 -102.81095 652.52921
5720.0000 -105.75628 -102.54796 3.20832 2.16174 -102.85744 640.88713
5725.0000 -105.56524 -101.15230 4.41294 2.23898 -101.89475 749.86389
5730.0000 -107.15737 -102.81065 4.34672 2.22278 -102.09676 737.35250
5735.0000 -106.80294 -102.36188 4.44107 2.19922 -102.39034 666.23128
5740.0000 -107.13802 -103.43005 3.70797 2.17648 -102.67380 705.58487
5745.0000 -106.34443 -101.95392 4.39052 2.16020 -102.87670 694.24821
5750.0000 -105.34264 -101.73692 3.60572 2.24429 -101.82856 711.98167
FREEZING PROCESS: loop number 24 T-loop= 665.00000000000000
main_MD> interactions number 24 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.48289 -1.64154 0.40407
force_rgl> df(natom) -0.19206 8.57867 0.42430
5755.0000 -105.74673 -101.21229 4.53444 2.26655 -101.55123 700.48788
5760.0000 -106.11819 -101.45033 4.66786 2.28374 -101.33687 760.29766
5765.0000 -106.96717 -102.38973 4.57743 2.20029 -102.37697 699.67572
5770.0000 -105.93906 -102.11002 3.82904 2.24196 -101.85760 721.18171
5775.0000 -107.43708 -104.22268 3.21440 2.14321 -103.08841 660.20707
5780.0000 -107.98356 -104.49539 3.48817 2.04775 -104.27817 581.40605
5785.0000 -107.53007 -104.11928 3.41079 2.01445 -104.69322 569.82209
5790.0000 -107.51904 -103.80386 3.71518 2.10285 -103.59148 628.05264
5795.0000 -106.18327 -102.92232 3.26094 2.13599 -103.17833 640.16581
5800.0000 -105.91770 -102.34034 3.57736 2.17206 -102.72881 652.52868
5805.0000 -107.09019 -103.25645 3.83374 2.17901 -102.64216 684.66754
5810.0000 -106.18369 -101.51519 4.66850 2.23159 -101.98687 737.95437
5815.0000 -105.92556 -102.08290 3.84266 2.28571 -101.31242 740.50905
5820.0000 -106.25135 -102.70948 3.54187 2.22442 -102.07622 732.59730
5825.0000 -107.32706 -103.37830 3.94877 2.13963 -103.13305 648.77552
5830.0000 -106.64322 -102.91394 3.72927 2.12581 -103.30530 646.31143
5835.0000 -106.82000 -102.68767 4.13233 2.15379 -102.95651 639.69817
5840.0000 -106.51041 -103.51465 2.99576 2.13870 -103.14456 674.86665
5845.0000 -107.59187 -104.10668 3.48519 2.06702 -104.03798 598.23326
5850.0000 -106.65782 -103.28645 3.37137 2.11259 -103.47008 634.98423
5855.0000 -106.09745 -101.93953 4.15792 2.18987 -102.50690 704.32268
5860.0000 -106.69039 -102.98306 3.70733 2.18350 -102.58623 687.57411
5865.0000 -106.53117 -102.81884 3.71233 2.17889 -102.64367 693.45751
5870.0000 -107.13593 -103.47737 3.65856 2.11630 -103.42383 636.68155
5875.0000 -107.49282 -104.41359 3.07923 2.04682 -104.28976 593.83200
5880.0000 -107.12757 -103.67239 3.45518 2.07552 -103.93201 622.31844
5885.0000 -107.26306 -102.46339 4.79967 2.15281 -102.96871 657.43090
5890.0000 -106.40211 -102.40907 3.99304 2.22270 -102.09765 701.64077
5895.0000 -105.96807 -102.30706 3.66101 2.18305 -102.59183 662.25749
5900.0000 -107.47015 -103.21595 4.25420 2.17630 -102.67593 684.00207
5905.0000 -106.87379 -103.44364 3.43015 2.15263 -102.97105 638.78118
5910.0000 -106.54759 -102.81662 3.73097 2.14497 -103.06652 671.33877
5915.0000 -107.50816 -104.67835 2.82980 2.11051 -103.49592 629.68445
5920.0000 -107.40959 -103.30705 4.10254 2.05602 -104.17509 592.75071
5925.0000 -106.74141 -102.60148 4.13992 2.14497 -103.06647 657.18781
5930.0000 -106.91722 -103.29696 3.62025 2.15314 -102.96465 666.50168
5935.0000 -106.49079 -102.53215 3.95864 2.16715 -102.78998 644.03285
5940.0000 -105.53339 -101.85464 3.67875 2.24085 -101.87145 718.82008
5945.0000 -105.89367 -101.63365 4.26003 2.24872 -101.77333 733.05810
5950.0000 -106.43247 -103.51044 2.92202 2.17628 -102.67622 658.48357
5955.0000 -107.09348 -103.65789 3.43559 2.13487 -103.19233 588.91332
5960.0000 -107.29283 -103.01392 4.27891 2.10401 -103.57702 600.15926
5965.0000 -106.94790 -102.94009 4.00781 2.17041 -102.74939 679.59145
5970.0000 -107.10810 -103.80438 3.30372 2.12570 -103.30668 642.97900
5975.0000 -106.19033 -102.19942 3.99091 2.13826 -103.15008 634.72249
5980.0000 -106.33720 -103.46079 2.87641 2.15616 -102.92701 659.43187
5985.0000 -106.23183 -102.09776 4.13407 2.17444 -102.69920 676.40827
5990.0000 -106.30405 -102.61735 3.68670 2.18625 -102.55192 699.23260
5995.0000 -107.18451 -103.43810 3.74641 2.13054 -103.24629 663.52018
6000.0000 -106.86020 -103.10123 3.75897 2.13305 -103.21505 637.29060
FREEZING PROCESS: loop number 25 T-loop= 640.00000000000000
main_MD> interactions number 25 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61272 -3.25344 5.42900
force_rgl> df(natom) 0.38082 3.68625 3.29637
6005.0000 -107.24686 -104.10113 3.14573 2.09733 -103.66024 604.86989
6010.0000 -106.72589 -102.71473 4.01116 2.10897 -103.51514 611.55355
6015.0000 -106.23009 -103.15872 3.07137 2.14727 -103.03780 636.11362
6020.0000 -106.97367 -103.40613 3.56755 2.19411 -102.45397 686.05043
6025.0000 -106.61556 -103.30004 3.31552 2.11555 -103.43318 616.24339
6030.0000 -106.60498 -102.70207 3.90292 2.17373 -102.70800 674.92273
6035.0000 -106.79659 -103.57690 3.21969 2.15782 -102.90628 643.75148
6040.0000 -107.69490 -104.41945 3.27545 2.06805 -104.02511 577.34692
6045.0000 -106.84291 -103.55332 3.28959 2.06901 -104.01313 576.88545
6050.0000 -107.60497 -103.71282 3.89215 2.09400 -103.70172 614.99856
6055.0000 -106.28103 -102.89005 3.39098 2.14817 -103.02662 683.30362
6060.0000 -106.43653 -102.98131 3.45521 2.15885 -102.89345 668.19817
6065.0000 -106.85634 -103.57084 3.28550 2.09300 -103.71414 620.94324
6070.0000 -106.95731 -102.99722 3.96009 2.13104 -103.24009 655.81992
6075.0000 -106.05258 -102.08086 3.97172 2.18471 -102.57123 689.05226
6080.0000 -106.68202 -102.62792 4.05410 2.15884 -102.89363 664.79735
6085.0000 -107.27224 -103.09540 4.17684 2.18937 -102.51311 696.00518
6090.0000 -106.99020 -102.80393 4.18627 2.13278 -103.21837 655.29152
6095.0000 -106.74020 -102.53610 4.20410 2.17897 -102.64266 692.65595
6100.0000 -106.98807 -102.65961 4.32846 2.13507 -103.18983 657.57525
6105.0000 -106.63609 -102.81293 3.82316 2.15511 -102.94008 634.27163
6110.0000 -107.25997 -103.51355 3.74641 2.16784 -102.78146 681.35095
6115.0000 -106.59948 -102.92864 3.67084 2.12197 -103.35312 615.63358
6120.0000 -106.94534 -103.31460 3.63074 2.11399 -103.45258 624.01361
6125.0000 -106.06618 -102.09128 3.97490 2.17687 -102.66886 680.91777
6130.0000 -106.69250 -103.91688 2.77562 2.13757 -103.15865 641.40306
6135.0000 -107.23115 -103.32014 3.91101 2.10409 -103.57594 622.48700
6140.0000 -107.08811 -103.80413 3.28399 2.12569 -103.30681 641.92516
6145.0000 -105.81397 -101.98638 3.82759 2.16683 -102.79403 651.75110
6150.0000 -107.30003 -103.41169 3.88833 2.15718 -102.91426 662.84102
6155.0000 -107.18433 -104.33463 2.84971 2.09817 -103.64976 615.52021
6160.0000 -107.07842 -103.97951 3.09891 2.05340 -104.20773 567.71977
6165.0000 -106.40851 -103.36722 3.04129 2.08595 -103.80211 577.70525
6170.0000 -106.51429 -103.27164 3.24265 2.14542 -103.06080 646.42970
6175.0000 -107.63942 -104.14155 3.49787 2.08288 -103.84030 591.93696
6180.0000 -106.11133 -103.10684 3.00449 2.09154 -103.73236 594.84263
6185.0000 -106.53139 -103.44709 3.08429 2.12576 -103.30595 637.76324
6190.0000 -106.53479 -102.65687 3.87792 2.16527 -102.81347 648.43425
6195.0000 -106.16216 -102.30966 3.85250 2.18415 -102.57819 681.13467
6200.0000 -106.16258 -102.26953 3.89305 2.18448 -102.57405 695.12758
6205.0000 -106.67128 -103.73866 2.93262 2.14083 -103.11803 659.07390
6210.0000 -106.44306 -102.98286 3.46020 2.08678 -103.79167 585.43539
6215.0000 -105.91928 -102.18174 3.73755 2.17643 -102.67433 637.28179
6220.0000 -106.67593 -102.76627 3.90967 2.13209 -103.22701 625.88711
6225.0000 -106.70619 -102.59197 4.11422 2.13446 -103.19743 652.24763
6230.0000 -107.40532 -102.75667 4.64864 2.18409 -102.57889 682.50026
6235.0000 -106.32887 -102.41349 3.91538 2.16164 -102.85875 669.96141
6240.0000 -107.08425 -103.05710 4.02715 2.13666 -103.16998 664.58081
6245.0000 -106.01211 -102.29958 3.71253 2.16972 -102.75802 711.68723
6250.0000 -107.37106 -104.35966 3.01141 2.13666 -103.17000 657.82752
FREEZING PROCESS: loop number 26 T-loop= 615.00000000000000
main_MD> interactions number 26 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.67976 1.15113 2.54237
force_rgl> df(natom) -2.84356 -0.61558 -4.65779
6255.0000 -108.24918 -104.12602 4.12316 2.05161 -104.23006 597.36158
6260.0000 -107.85056 -104.51314 3.33743 2.04795 -104.27564 611.07361
6265.0000 -107.42510 -104.16593 3.25917 2.03333 -104.45793 536.65023
6270.0000 -106.74285 -103.28129 3.46157 2.10419 -103.57468 600.48443
6275.0000 -107.25504 -104.28532 2.96972 2.06726 -104.03496 584.03972
6280.0000 -107.53464 -104.12460 3.41004 2.04671 -104.29109 537.99731
6285.0000 -106.52773 -103.01845 3.50928 2.10834 -103.52302 599.90744
6290.0000 -106.59623 -102.88230 3.71393 2.12310 -103.33903 635.15253
6295.0000 -105.30516 -102.14713 3.15802 2.19031 -102.50144 684.03370
6300.0000 -107.05423 -103.31454 3.73968 2.17863 -102.64692 660.69293
6305.0000 -106.91732 -103.52638 3.39094 2.11325 -103.46184 614.27228
6310.0000 -106.72870 -103.78270 2.94600 2.09297 -103.71453 611.78856
6315.0000 -106.66592 -103.06270 3.60322 2.10057 -103.61981 620.96221
6320.0000 -107.18784 -103.40475 3.78310 2.10630 -103.54844 598.71276
6325.0000 -107.73021 -104.64136 3.08885 2.07401 -103.95089 602.73170
6330.0000 -106.61468 -103.37210 3.24257 2.09738 -103.65957 599.02646
6335.0000 -106.40499 -103.01345 3.39154 2.11365 -103.45676 645.02418
6340.0000 -106.46534 -102.56345 3.90189 2.14599 -103.05372 670.27431
6345.0000 -107.07521 -103.54065 3.53455 2.18326 -102.58931 702.97684
6350.0000 -107.21388 -103.50426 3.70962 2.05922 -104.13519 567.77526
6355.0000 -107.59902 -103.70491 3.89411 2.04343 -104.33194 552.31584
6360.0000 -106.80187 -102.74302 4.05885 2.14174 -103.10672 645.82073
6365.0000 -106.86412 -102.28612 4.57800 2.15367 -102.95809 645.51824
6370.0000 -107.49189 -103.62841 3.86348 2.17065 -102.74647 681.94365
6375.0000 -106.42662 -103.06959 3.35704 2.11548 -103.43407 630.68270
6380.0000 -106.77656 -103.66443 3.11213 2.10052 -103.62051 611.09477
6385.0000 -107.02933 -103.77834 3.25099 2.08186 -103.85305 581.21153
6390.0000 -107.12871 -103.86347 3.26524 2.06629 -104.04707 575.44317
6395.0000 -107.22623 -104.25553 2.97070 2.07542 -103.93332 607.27070
6400.0000 -107.89549 -104.59653 3.29896 2.01129 -104.73251 541.64757
6405.0000 -107.29010 -103.53344 3.75667 2.05665 -104.16723 604.94999
6410.0000 -107.47541 -103.62003 3.85538 2.13825 -103.15022 642.81963
6415.0000 -107.50220 -103.76431 3.73789 2.08739 -103.78415 644.03300
6420.0000 -108.09697 -104.72354 3.37344 2.01323 -104.70842 566.21153
6425.0000 -106.98255 -104.16727 2.81528 2.03809 -104.39856 595.11336
6430.0000 -106.62542 -103.12737 3.49804 2.10443 -103.57176 609.18799
6435.0000 -105.75817 -101.81972 3.93845 2.19053 -102.49864 665.01439
6440.0000 -106.75185 -103.09742 3.65443 2.20687 -102.29503 691.97294
6445.0000 -106.66630 -102.98857 3.67773 2.16533 -102.81275 669.07931
6450.0000 -107.23645 -103.82699 3.40946 2.10152 -103.60795 623.44158
6455.0000 -107.70084 -104.59887 3.10198 2.01112 -104.73466 530.23989
6460.0000 -108.04776 -104.52771 3.52005 2.04149 -104.35613 576.42799
6465.0000 -107.22577 -104.16267 3.06309 2.04153 -104.35563 567.39632
6470.0000 -106.30365 -101.86388 4.43977 2.11168 -103.48133 630.06840
6475.0000 -107.61911 -103.47631 4.14280 2.16041 -102.87406 658.17619
6480.0000 -106.90190 -103.69438 3.20751 2.11609 -103.42643 615.73654
6485.0000 -107.34181 -103.40219 3.93962 2.09201 -103.72658 623.40936
6490.0000 -107.04083 -103.55553 3.48531 2.14072 -103.11943 631.70041
6495.0000 -107.24584 -103.94468 3.30116 2.09835 -103.64754 615.72668
6500.0000 -107.58000 -104.19443 3.38557 2.07240 -103.97088 609.94649
FREEZING PROCESS: loop number 27 T-loop= 590.00000000000000
main_MD> interactions number 27 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.26842 -0.12407 -0.43079
force_rgl> df(natom) 0.81499 -1.67997 2.67349
6505.0000 -107.42420 -103.71764 3.70656 2.09669 -103.66820 611.02030
6510.0000 -107.38356 -104.42857 2.95499 2.11406 -103.45168 636.67157
6515.0000 -107.10452 -104.18305 2.92148 2.02584 -104.55124 537.22438
6520.0000 -107.42382 -104.03516 3.38866 2.06230 -104.09682 581.57451
6525.0000 -107.72201 -104.29469 3.42732 2.04687 -104.28919 569.20252
6530.0000 -107.67262 -104.48624 3.18637 2.03123 -104.48404 565.89058
6535.0000 -108.17773 -105.13332 3.04442 2.00255 -104.84150 545.75072
6540.0000 -107.75334 -104.69277 3.06057 2.03353 -104.45543 568.04654
6545.0000 -107.96832 -104.62892 3.33940 2.03138 -104.48217 567.30650
6550.0000 -107.57447 -103.99611 3.57836 1.99834 -104.89392 520.28788
6555.0000 -107.84075 -104.52281 3.31794 2.02218 -104.59683 552.41220
6560.0000 -108.04161 -104.18249 3.85912 2.01154 -104.72940 569.23570
6565.0000 -108.26674 -104.81419 3.45255 2.06174 -104.10373 591.82065
6570.0000 -107.23975 -104.16565 3.07411 2.03850 -104.39341 559.11103
6575.0000 -107.97899 -105.03894 2.94005 2.02724 -104.53373 525.18561
6580.0000 -107.72324 -104.11637 3.60687 2.00019 -104.87088 527.52686
6585.0000 -106.63254 -103.46315 3.16940 2.08343 -103.83341 619.79310
6590.0000 -107.88193 -104.31174 3.57019 2.06581 -104.05304 590.38271
6595.0000 -106.94905 -103.89721 3.05185 2.05475 -104.19088 578.27246
6600.0000 -106.68932 -102.90841 3.78091 2.07867 -103.89275 602.78105
6605.0000 -106.98564 -103.25337 3.73227 2.14827 -103.02533 682.36966
6610.0000 -107.39824 -104.04919 3.34906 2.09185 -103.72853 590.82445
6615.0000 -107.49576 -104.10121 3.39455 2.10354 -103.58278 625.01312
6620.0000 -107.30074 -103.80550 3.49524 2.03422 -104.44673 521.06638
6625.0000 -107.03244 -103.00675 4.02570 2.11868 -103.39417 636.92640
6630.0000 -107.49847 -103.22306 4.27541 2.11731 -103.41119 627.78531
6635.0000 -107.49020 -104.62231 2.86789 2.07512 -103.93707 615.65458
6640.0000 -106.83465 -103.74494 3.08971 2.04484 -104.31438 557.78189
6645.0000 -106.89935 -102.91973 3.97962 2.13687 -103.16743 657.83504
6650.0000 -107.22625 -103.84319 3.38305 2.16735 -102.78758 668.01218
6655.0000 -107.69007 -104.61139 3.07868 2.03447 -104.44367 565.79385
6660.0000 -106.88323 -103.56312 3.32011 2.05271 -104.21629 578.70375
6665.0000 -107.80273 -103.89203 3.91070 2.09068 -103.74309 599.43453
6670.0000 -107.06050 -103.45696 3.60354 2.09023 -103.74873 616.59763
6675.0000 -107.44944 -103.97949 3.46995 2.10746 -103.53394 623.27123
6680.0000 -107.73916 -104.39796 3.34120 2.04753 -104.28095 567.63215
6685.0000 -107.02227 -103.42442 3.59785 2.08420 -103.82389 615.01315
6690.0000 -107.59850 -103.94702 3.65148 2.07925 -103.88553 612.69964
6695.0000 -107.00558 -103.97878 3.02680 2.11114 -103.48805 642.99469
6700.0000 -107.19933 -103.99503 3.20430 2.04103 -104.36191 575.46872
6705.0000 -107.35846 -103.82980 3.52866 2.06264 -104.09257 586.96723
6710.0000 -107.59694 -104.09932 3.49761 2.12305 -103.33969 659.56912
6715.0000 -107.66058 -104.33824 3.32234 2.02508 -104.56073 557.38454
6720.0000 -108.06556 -104.42317 3.64239 2.04288 -104.33887 576.51692
6725.0000 -107.78755 -104.49928 3.28827 2.02664 -104.54121 548.24511
6730.0000 -107.60460 -104.05669 3.54791 2.03539 -104.43218 580.06088
6735.0000 -106.92061 -103.47637 3.44425 2.06523 -104.06030 592.53767
6740.0000 -107.60587 -104.52380 3.08207 2.04704 -104.28700 579.91221
6745.0000 -107.83592 -105.09721 2.73871 2.01198 -104.72402 547.85933
6750.0000 -107.51214 -104.57560 2.93655 1.98168 -105.10158 513.04149
FREEZING PROCESS: loop number 28 T-loop= 565.00000000000000
main_MD> interactions number 28 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58636 2.48157 0.28248
force_rgl> df(natom) 3.05129 -0.01534 0.36677
6755.0000 -107.62332 -104.12245 3.50087 2.02375 -104.57726 543.54571
6760.0000 -107.68237 -104.52682 3.15554 2.05616 -104.17337 571.97147
6765.0000 -107.80868 -104.36414 3.44455 2.01662 -104.66619 542.77843
6770.0000 -108.72511 -105.16405 3.56106 2.02875 -104.51496 566.86935
6775.0000 -107.55855 -104.60930 2.94926 2.00236 -104.84387 539.54356
6780.0000 -108.07727 -104.23014 3.84713 2.05264 -104.21726 593.70914
6785.0000 -107.15028 -104.40675 2.74353 2.05554 -104.18101 564.72800
6790.0000 -107.33634 -104.20475 3.13159 2.03314 -104.46022 539.77321
6795.0000 -107.50362 -104.53305 2.97057 2.05649 -104.16920 554.66810
6800.0000 -108.23757 -104.88043 3.35714 2.02359 -104.57923 549.29777
6805.0000 -107.55058 -104.84993 2.70065 2.02955 -104.50499 574.01758
6810.0000 -107.54468 -103.74419 3.80049 2.05881 -104.14036 568.65195
6815.0000 -106.75694 -103.60037 3.15657 2.08402 -103.82614 582.10850
6820.0000 -107.53416 -103.70650 3.82766 2.08266 -103.84306 598.47864
6825.0000 -107.58128 -104.03694 3.54433 2.06264 -104.09253 593.06908
6830.0000 -107.49407 -104.14178 3.35229 2.05925 -104.13477 592.88479
6835.0000 -107.76090 -105.01392 2.74697 2.01152 -104.72970 527.04077
6840.0000 -108.04351 -104.95524 3.08827 1.98330 -105.08136 505.50785
6845.0000 -107.57822 -104.65265 2.92556 1.99877 -104.88864 518.52287
6850.0000 -107.30221 -103.84780 3.45441 2.02232 -104.59509 544.63031
6855.0000 -107.64562 -103.75838 3.88724 2.10204 -103.60156 596.16043
6860.0000 -107.16434 -103.97476 3.18958 2.04945 -104.25699 575.37395
6865.0000 -107.27695 -103.78655 3.49040 2.04122 -104.35951 578.35974
6870.0000 -107.14983 -104.16343 2.98640 2.05815 -104.14855 577.51176
6875.0000 -106.93285 -103.94679 2.98606 2.10370 -103.58080 601.97530
6880.0000 -107.54822 -104.42850 3.11972 2.08585 -103.80325 579.41901
6885.0000 -106.98029 -103.60752 3.37278 2.06050 -104.11922 581.50558
6890.0000 -106.87808 -103.95255 2.92553 2.12174 -103.35599 659.80612
6895.0000 -107.46810 -103.46509 4.00301 2.08954 -103.75729 627.21543
6900.0000 -106.95687 -103.68203 3.27484 2.07738 -103.90881 629.07872
6905.0000 -107.23733 -103.95247 3.28487 2.09794 -103.65256 592.45849
6910.0000 -107.50313 -103.70505 3.79808 2.11663 -103.41963 632.64207
6915.0000 -108.42840 -105.05531 3.37309 2.02959 -104.50454 558.89009
6920.0000 -107.89128 -104.77996 3.11133 1.98653 -105.04110 505.70115
6925.0000 -108.15702 -105.05451 3.10252 2.01205 -104.72307 528.31412
6930.0000 -107.24771 -103.96494 3.28278 2.07482 -103.94072 591.42799
6935.0000 -107.35030 -103.75860 3.59169 2.05215 -104.22330 553.61340
6940.0000 -107.23139 -103.92737 3.30402 2.06399 -104.07569 584.67400
6945.0000 -107.49285 -104.14710 3.34575 2.04689 -104.28885 554.98704
6950.0000 -106.28303 -103.63733 2.64570 2.10776 -103.53024 644.65795
6955.0000 -107.65191 -104.87231 2.77960 2.07067 -103.99249 516.97615
6960.0000 -107.97888 -104.33424 3.64464 2.05114 -104.23593 554.64261
6965.0000 -107.14838 -104.18101 2.96737 2.06020 -104.12293 573.78611
6970.0000 -108.23952 -104.91162 3.32790 2.01137 -104.73153 547.20556
6975.0000 -107.50251 -104.04606 3.45645 2.05215 -104.22334 593.69257
6980.0000 -107.03724 -103.93960 3.09764 2.09741 -103.65919 637.81543
6985.0000 -106.98900 -104.69413 2.29486 2.05202 -104.22488 583.32301
6990.0000 -107.35394 -104.48138 2.87256 2.03799 -104.39983 601.68226
6995.0000 -107.97074 -104.40578 3.56496 2.05300 -104.21275 622.30368
7000.0000 -107.64941 -104.57716 3.07226 1.98862 -105.01506 538.84081
FREEZING PROCESS: loop number 29 T-loop= 540.00000000000000
main_MD> interactions number 29 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.52376 2.62515 0.45706
force_rgl> df(natom) 2.76376 -1.23723 -0.81543
7005.0000 -108.48958 -105.14393 3.34565 1.98397 -105.07313 519.35846
7010.0000 -107.85681 -104.87817 2.97864 1.98558 -105.05300 546.46737
7015.0000 -108.19804 -105.32247 2.87557 1.97898 -105.13523 547.73704
7020.0000 -108.18394 -105.23325 2.95068 1.95682 -105.41147 521.69849
7025.0000 -107.45418 -104.59958 2.85460 1.99735 -104.90628 551.46108
7030.0000 -108.33468 -105.82805 2.50663 1.99672 -104.91417 532.05393
7035.0000 -107.67641 -104.77360 2.90281 1.96044 -105.36633 511.67272
7040.0000 -107.09283 -103.71230 3.38053 2.03491 -104.43816 579.61079
7045.0000 -107.94010 -104.48742 3.45268 2.07836 -103.89664 591.62529
7050.0000 -107.62943 -104.90741 2.72201 1.99899 -104.88593 532.26824
7055.0000 -107.88103 -104.66772 3.21331 2.01085 -104.73808 535.69991
7060.0000 -108.25557 -105.23376 3.02181 2.01229 -104.72006 537.63139
7065.0000 -107.73319 -103.89815 3.83504 2.01700 -104.66138 565.08133
7070.0000 -107.94362 -104.61161 3.33201 2.03823 -104.39683 586.69080
7075.0000 -107.69351 -105.31884 2.37467 2.01937 -104.63187 541.38283
7080.0000 -108.62815 -106.08320 2.54495 1.93799 -105.64610 479.17150
7085.0000 -107.08343 -104.40843 2.67500 1.98305 -105.08454 503.37174
7090.0000 -108.05127 -104.57191 3.47936 2.03783 -104.40179 557.32715
7095.0000 -108.29938 -104.92839 3.37099 2.02742 -104.53148 526.15368
7100.0000 -108.77451 -104.96072 3.81379 1.94708 -105.53283 489.40066
7105.0000 -108.01795 -105.44212 2.57583 1.96474 -105.31269 505.45059
7110.0000 -108.02963 -105.06502 2.96461 1.98643 -105.04236 536.89578
7115.0000 -107.49668 -104.29989 3.19679 2.03300 -104.46204 539.73749
7120.0000 -108.32367 -104.95287 3.37081 2.03963 -104.37936 552.61675
7125.0000 -108.07718 -105.03381 3.04337 1.99918 -104.88348 517.43661
7130.0000 -108.16791 -105.11045 3.05745 1.97277 -105.21263 511.52136
7135.0000 -107.87434 -104.49112 3.38322 2.00862 -104.76585 527.41095
7140.0000 -107.67548 -105.14396 2.53152 1.97976 -105.12552 492.80557
7145.0000 -107.69370 -104.10611 3.58759 2.03731 -104.40830 555.65554
7150.0000 -107.89643 -104.51998 3.37645 2.01752 -104.65494 536.25150
7155.0000 -108.05061 -105.14149 2.90911 1.94522 -105.55604 477.18488
7160.0000 -108.13815 -104.75718 3.38097 2.01105 -104.73554 545.81071
7165.0000 -107.67520 -104.56044 3.11476 1.99860 -104.89069 516.04460
7170.0000 -107.32491 -104.35299 2.97192 2.02257 -104.59203 563.10024
7175.0000 -108.03472 -104.91643 3.11828 2.01152 -104.72970 551.98198
7180.0000 -108.57310 -106.09750 2.47560 1.94795 -105.52198 471.95222
7185.0000 -107.86739 -105.00536 2.86203 1.96547 -105.30364 490.78705
7190.0000 -107.63245 -104.89079 2.74166 1.99638 -104.91844 527.81235
7195.0000 -108.06469 -104.87914 3.18555 2.01704 -104.66096 531.71806
7200.0000 -108.01070 -104.98679 3.02392 1.97724 -105.15694 497.04195
7205.0000 -108.21582 -105.17485 3.04096 1.92484 -105.81000 501.97538
7210.0000 -107.89489 -105.10342 2.79146 1.96045 -105.36616 507.06189
7215.0000 -108.12297 -105.56372 2.55925 1.96851 -105.26578 487.32033
7220.0000 -107.56978 -104.72598 2.84380 1.98469 -105.06407 521.22783
7225.0000 -107.74615 -104.92055 2.82561 1.97925 -105.13192 508.49882
7230.0000 -108.19556 -105.06629 3.12927 1.98799 -105.02294 515.28865
7235.0000 -107.98688 -105.03861 2.94827 2.00105 -104.86023 535.64396
7240.0000 -108.02817 -104.82814 3.20003 1.98655 -105.04094 514.85701
7245.0000 -107.85235 -105.15782 2.69453 1.95400 -105.44655 496.16884
7250.0000 -108.31353 -105.08705 3.22649 1.99384 -104.95008 532.33798
FREEZING PROCESS: loop number 30 T-loop= 515.00000000000000
main_MD> interactions number 30 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.40981 -1.41012 -1.28249
force_rgl> df(natom) 0.95333 2.84492 4.63858
7255.0000 -107.80714 -104.11940 3.68773 2.02815 -104.52241 577.03484
7260.0000 -106.72283 -103.67451 3.04832 2.09228 -103.72317 627.47674
7265.0000 -108.04500 -105.19309 2.85191 2.01891 -104.63761 532.70738
7270.0000 -109.05912 -105.75791 3.30121 1.96351 -105.32803 516.39636
7275.0000 -108.47089 -106.20782 2.26307 1.89811 -106.14318 439.06846
7280.0000 -108.31954 -106.06642 2.25312 1.89532 -106.17799 420.44494
7285.0000 -107.85260 -104.67986 3.17274 1.94812 -105.51987 479.16566
7290.0000 -108.75975 -105.67781 3.08194 1.97039 -105.24233 522.94814
7295.0000 -108.10238 -105.22252 2.87985 1.96610 -105.29573 498.13547
7300.0000 -107.03060 -104.62616 2.40443 1.99704 -104.91014 529.59486
7305.0000 -107.25317 -104.38098 2.87219 2.04836 -104.27051 534.17620
7310.0000 -107.96388 -104.81247 3.15140 2.02778 -104.52710 512.63332
7315.0000 -107.47060 -104.87489 2.59571 2.00763 -104.77817 519.90585
7320.0000 -106.95901 -103.65652 3.30249 2.05096 -104.23809 555.51407
7325.0000 -107.69646 -104.95723 2.73923 2.03826 -104.39639 555.62626
7330.0000 -107.89578 -105.20928 2.68649 2.00002 -104.87305 534.00497
7335.0000 -108.03096 -105.49040 2.54057 1.98238 -105.09287 514.14197
7340.0000 -107.99599 -104.64196 3.35403 1.94018 -105.61884 465.84653
7345.0000 -108.05955 -105.05467 3.00488 2.03739 -104.40728 579.89223
7350.0000 -109.39534 -106.28637 3.10897 1.95480 -105.43663 491.38066
7355.0000 -108.60084 -105.84594 2.75490 1.91053 -105.98838 461.36214
7360.0000 -108.36849 -105.44259 2.92589 1.94269 -105.58751 493.17261
7365.0000 -108.39408 -104.81190 3.58219 1.96925 -105.25659 523.92418
7370.0000 -107.64844 -105.34510 2.30334 1.96468 -105.31353 516.53937
7375.0000 -108.35415 -105.30291 3.05124 1.96924 -105.25663 508.11785
7380.0000 -107.92496 -104.59620 3.32877 1.97517 -105.18271 502.02270
7385.0000 -108.10568 -104.86010 3.24558 1.99036 -104.99347 540.13581
7390.0000 -107.70440 -105.15369 2.55071 1.97757 -105.15282 506.89496
7395.0000 -108.35266 -105.23272 3.11994 1.97341 -105.20467 506.71514
7400.0000 -108.59934 -105.64599 2.95335 1.96838 -105.26737 510.60062
7405.0000 -108.40796 -105.21459 3.19337 1.95862 -105.38903 512.76342
7410.0000 -108.58540 -105.94717 2.63822 1.93876 -105.63658 485.26841
7415.0000 -108.41061 -105.83930 2.57131 1.93158 -105.72600 471.40078
7420.0000 -107.88206 -105.73605 2.14601 1.92675 -105.78621 459.09977
7425.0000 -108.47494 -106.10360 2.37134 1.93016 -105.74376 451.88642
7430.0000 -108.17426 -105.04968 3.12458 1.96360 -105.32696 481.72107
7435.0000 -107.61058 -104.89259 2.71799 1.98520 -105.05780 496.98781
7440.0000 -107.39121 -104.20124 3.18996 2.04923 -104.25974 576.11281
7445.0000 -107.47650 -103.75254 3.72395 2.03303 -104.46163 547.82605
7450.0000 -107.85014 -104.47307 3.37707 2.05602 -104.17505 585.96960
7455.0000 -107.52420 -104.60156 2.92264 2.02000 -104.62406 554.58249
7460.0000 -107.90798 -104.55438 3.35360 2.00401 -104.82325 529.30218
7465.0000 -107.74421 -104.97004 2.77417 2.00311 -104.83454 509.21438
7470.0000 -107.10810 -104.02232 3.08578 2.02787 -104.52599 541.20122
7475.0000 -108.21469 -104.44066 3.77403 2.05104 -104.23713 583.07196
7480.0000 -107.51047 -104.97429 2.53618 2.00362 -104.82816 517.76879
7485.0000 -108.13341 -104.94956 3.18385 1.98297 -105.08559 496.92857
7490.0000 -108.09300 -105.28480 2.80820 1.94472 -105.56224 462.18964
7495.0000 -108.29079 -105.40523 2.88556 1.96427 -105.31857 510.18255
7500.0000 -108.42128 -105.36814 3.05314 1.94718 -105.53165 512.21164
FREEZING PROCESS: loop number 31 T-loop= 490.00000000000000
main_MD> interactions number 31 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81172 -2.49392 -2.17374
force_rgl> df(natom) 1.10393 1.64198 -0.93111
7505.0000 -108.32929 -104.85981 3.46948 2.00552 -104.80454 529.73737
7510.0000 -107.87494 -105.27421 2.60073 1.97980 -105.12509 498.36186
7515.0000 -108.20705 -105.28073 2.92632 1.95354 -105.45232 483.55508
7520.0000 -108.37015 -106.13775 2.23239 1.93322 -105.70553 465.00897
7525.0000 -108.80443 -105.84580 2.95863 1.92545 -105.80249 460.93620
7530.0000 -108.54961 -106.10381 2.44580 1.91274 -105.96088 450.47582
7535.0000 -108.18226 -105.21000 2.97227 1.95882 -105.38658 504.33756
7540.0000 -108.54387 -105.94318 2.60069 1.94808 -105.52032 501.37158
7545.0000 -108.64876 -106.53577 2.11299 1.90317 -106.08008 455.04702
7550.0000 -109.24449 -106.21276 3.03173 1.87393 -106.44448 427.23342
7555.0000 -108.75174 -105.93930 2.81244 1.90712 -106.03085 444.81730
7560.0000 -108.30040 -105.55856 2.74184 1.91530 -105.92897 477.71838
7565.0000 -108.42474 -106.26459 2.16015 1.88206 -106.34318 431.59813
7570.0000 -109.57698 -106.58615 2.99083 1.89776 -106.14756 457.68487
7575.0000 -107.85161 -105.12017 2.73144 1.91510 -105.93146 475.92335
7580.0000 -108.13915 -104.64362 3.49553 2.04507 -104.31158 564.61732
7585.0000 -108.55329 -105.45675 3.09654 1.96427 -105.31863 503.99330
7590.0000 -107.97457 -105.24581 2.72876 1.93421 -105.69322 481.37817
7595.0000 -107.83612 -105.35944 2.47668 1.94242 -105.59090 473.27816
7600.0000 -107.63955 -104.61180 3.02775 1.99460 -104.94057 548.55452
7605.0000 -108.44009 -105.65349 2.78660 1.95696 -105.40966 495.44380
7610.0000 -108.37171 -105.85760 2.51411 1.94457 -105.56408 475.29029
7615.0000 -107.91972 -105.32212 2.59760 1.95417 -105.44445 498.89037
7620.0000 -108.55527 -105.66573 2.88954 1.93433 -105.69173 484.80782
7625.0000 -108.08929 -105.44503 2.64426 1.95695 -105.40986 484.32659
7630.0000 -109.19439 -106.67507 2.51932 1.93310 -105.70703 489.67466
7635.0000 -108.44807 -105.97636 2.47171 1.86739 -106.52602 417.52247
7640.0000 -108.67457 -106.07834 2.59623 1.89950 -106.12581 455.59934
7645.0000 -108.44151 -105.94595 2.49556 1.91866 -105.88700 460.58914
7650.0000 -108.24844 -105.85644 2.39200 1.92689 -105.78445 477.67017
7655.0000 -108.19645 -105.53669 2.65976 1.92953 -105.75158 465.45726
7660.0000 -108.02301 -105.52487 2.49814 1.95894 -105.38505 479.56606
7665.0000 -107.84610 -104.84460 3.00150 1.98651 -105.04144 506.09519
7670.0000 -108.39540 -105.09505 3.30035 1.98367 -105.07683 503.13618
7675.0000 -108.34467 -105.56998 2.77469 2.00641 -104.79335 540.49182
7680.0000 -107.61656 -104.59780 3.01876 1.99947 -104.87986 532.62723
7685.0000 -108.71583 -106.15049 2.56535 1.97254 -105.21558 502.56822
7690.0000 -108.15484 -105.70150 2.45334 1.91052 -105.98850 455.60983
7695.0000 -109.05125 -106.39826 2.65299 1.89976 -106.12256 443.51863
7700.0000 -108.51597 -105.85725 2.65871 1.89054 -106.23754 432.14545
7705.0000 -108.46538 -106.36398 2.10140 1.90501 -106.05721 430.96664
7710.0000 -109.06507 -106.35773 2.70734 1.89671 -106.16067 443.38471
7715.0000 -108.56316 -106.06374 2.49942 1.90074 -106.11042 445.11000
7720.0000 -107.90634 -105.30204 2.60431 1.92729 -105.77953 477.99525
7725.0000 -108.57177 -105.11261 3.45915 1.98679 -105.03796 521.76659
7730.0000 -108.09095 -105.56640 2.52455 1.93569 -105.67484 468.28058
7735.0000 -108.78221 -105.78201 3.00021 1.94982 -105.49871 478.95056
7740.0000 -108.47741 -106.10554 2.37187 1.91312 -105.95614 455.23956
7745.0000 -108.09614 -105.68809 2.40805 1.92817 -105.76857 465.17167
7750.0000 -108.63323 -105.59369 3.03954 1.92156 -105.85095 469.88130
FREEZING PROCESS: loop number 32 T-loop= 465.00000000000000
main_MD> interactions number 32 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.42540 -0.86832 3.53002
force_rgl> df(natom) 0.13194 -2.80946 1.45250
7755.0000 -107.99248 -105.03883 2.95365 1.98029 -105.11890 519.29246
7760.0000 -108.62773 -106.15908 2.46865 1.94264 -105.58822 491.25640
7765.0000 -109.13780 -106.40871 2.72909 1.91219 -105.96769 473.15503
7770.0000 -108.04106 -105.36955 2.67151 1.89893 -106.13301 459.72217
7775.0000 -108.39729 -105.83141 2.56588 1.93582 -105.67314 479.58932
7780.0000 -108.46828 -105.64338 2.82490 1.94290 -105.58496 470.30759
7785.0000 -108.33844 -105.56336 2.77508 1.94513 -105.55712 485.69547
7790.0000 -108.47758 -106.04358 2.43400 1.91430 -105.94136 457.70494
7795.0000 -108.49958 -105.86150 2.63808 1.88984 -106.24625 447.49290
7800.0000 -108.72612 -106.20811 2.51802 1.91405 -105.94452 467.12133
7805.0000 -108.26927 -105.59143 2.67784 1.94245 -105.59049 505.89242
7810.0000 -108.88064 -106.03394 2.84669 1.93188 -105.72225 518.49835
7815.0000 -109.50903 -106.59908 2.90995 1.86742 -106.52567 464.25399
7820.0000 -108.93230 -106.07618 2.85612 1.90406 -106.06903 488.91996
7825.0000 -109.09658 -106.36383 2.73274 1.89996 -106.12009 477.90193
7830.0000 -108.57036 -105.71725 2.85311 1.87244 -106.46306 447.26944
7835.0000 -107.55421 -105.00681 2.54740 1.95620 -105.41922 517.05054
7840.0000 -108.52650 -106.02756 2.49894 1.93304 -105.70784 489.32581
7845.0000 -108.49711 -106.14526 2.35185 1.90460 -106.06227 455.16338
7850.0000 -108.76996 -106.01657 2.75339 1.89931 -106.12817 442.69225
7855.0000 -108.80548 -106.22447 2.58100 1.88304 -106.33100 429.99050
7860.0000 -108.61481 -105.57243 3.04239 1.93315 -105.70647 492.00347
7865.0000 -108.53048 -106.28211 2.24837 1.91903 -105.88249 475.19033
7870.0000 -108.27550 -105.72295 2.55255 1.88813 -106.26761 440.26473
7875.0000 -108.76340 -106.13632 2.62708 1.89231 -106.21549 449.72338
7880.0000 -108.59416 -105.87467 2.71949 1.90432 -106.06575 456.52889
7885.0000 -108.34109 -105.81436 2.52674 1.92534 -105.80374 472.04410
7890.0000 -109.00240 -106.49811 2.50430 1.89376 -106.19736 451.99086
7895.0000 -109.11753 -106.31219 2.80534 1.87547 -106.42532 438.61880
7900.0000 -109.06907 -106.24593 2.82314 1.86084 -106.60764 439.01828
7905.0000 -108.31086 -105.81058 2.50028 1.90358 -106.07498 467.73835
7910.0000 -108.66309 -105.73081 2.93228 1.93427 -105.69251 463.65121
7915.0000 -108.40755 -105.86401 2.54354 1.92828 -105.76721 467.71871
7920.0000 -108.79805 -106.04578 2.75227 1.89935 -106.12766 443.74199
7925.0000 -108.20633 -105.54136 2.66497 1.93262 -105.71312 486.37273
7930.0000 -108.21744 -105.31657 2.90087 1.98243 -105.09228 528.27404
7935.0000 -107.75008 -105.03091 2.71917 1.97298 -105.21010 537.33398
7940.0000 -109.11281 -105.80354 3.30927 1.97333 -105.20571 518.84448
7945.0000 -109.18232 -106.21052 2.97179 1.88915 -106.25483 461.21839
7950.0000 -108.98928 -106.07101 2.91827 1.89883 -106.13426 476.61710
7955.0000 -108.51647 -105.68824 2.82823 1.93443 -105.69044 503.08269
7960.0000 -108.90557 -106.13197 2.77360 1.88445 -106.31343 448.88190
7965.0000 -108.66523 -106.50576 2.15947 1.89085 -106.23371 442.42610
7970.0000 -108.61728 -106.23546 2.38182 1.88737 -106.27701 445.52354
7975.0000 -108.46226 -105.92241 2.53985 1.87274 -106.45940 436.34598
7980.0000 -108.55266 -106.07439 2.47827 1.90066 -106.11136 440.25716
7985.0000 -108.93896 -106.24241 2.69655 1.91952 -105.87632 474.50147
7990.0000 -108.64548 -106.22565 2.41983 1.90544 -106.05177 447.91849
7995.0000 -108.28369 -105.94824 2.33545 1.91178 -105.97275 442.79050
8000.0000 -108.75812 -106.04419 2.71393 1.91010 -105.99377 464.47796
FREEZING PROCESS: loop number 33 T-loop= 440.00000000000000
main_MD> interactions number 33 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10553 -2.25639 0.64854
force_rgl> df(natom) -0.71642 1.04624 1.58015
8005.0000 -108.18062 -105.41260 2.76803 1.93634 -105.66664 503.38601
8010.0000 -108.87547 -105.81914 3.05633 1.93046 -105.73995 488.21974
8015.0000 -109.37284 -106.77514 2.59770 1.88123 -106.35352 442.01671
8020.0000 -108.71457 -107.06078 1.65379 1.83294 -106.95536 394.63853
8025.0000 -108.92688 -106.61657 2.31031 1.86250 -106.58703 414.67619
8030.0000 -108.84084 -106.21945 2.62139 1.89338 -106.20208 448.36829
8035.0000 -108.09332 -105.69412 2.39920 1.89362 -106.19916 456.42795
8040.0000 -108.59644 -106.13656 2.45988 1.90700 -106.03243 456.21290
8045.0000 -108.17103 -106.07119 2.09984 1.88809 -106.26803 422.04108
8050.0000 -108.46804 -105.87582 2.59223 1.93296 -105.70876 446.65332
8055.0000 -108.38296 -105.38381 2.99915 1.91911 -105.88139 460.34693
8060.0000 -108.46334 -105.87597 2.58737 1.91257 -105.96299 469.76030
8065.0000 -108.91502 -106.31943 2.59559 1.89053 -106.23767 449.29026
8070.0000 -108.63330 -106.27762 2.35568 1.84249 -106.83643 410.70639
8075.0000 -109.40108 -106.38953 3.01155 1.89163 -106.22398 450.76818
8080.0000 -108.91787 -106.41608 2.50178 1.86791 -106.51954 432.62524
8085.0000 -109.35304 -106.76019 2.59285 1.87611 -106.41737 439.75432
8090.0000 -108.87592 -106.33564 2.54027 1.88350 -106.32532 449.42294
8095.0000 -108.94988 -106.61832 2.33156 1.87353 -106.44949 435.30453
8100.0000 -108.15107 -105.77181 2.37926 1.90803 -106.01954 465.98497
8105.0000 -108.45346 -106.16194 2.29152 1.89110 -106.23056 438.07112
8110.0000 -108.87973 -106.29353 2.58620 1.90561 -106.04970 457.48890
8115.0000 -109.08988 -106.86422 2.22565 1.87049 -106.48737 438.00152
8120.0000 -109.53405 -106.72849 2.80557 1.84677 -106.78306 418.03796
8125.0000 -108.79036 -106.32524 2.46512 1.86250 -106.58700 419.03399
8130.0000 -108.64099 -105.77053 2.87045 1.89056 -106.23731 432.78867
8135.0000 -108.37534 -106.29916 2.07618 1.93068 -105.73724 482.55690
8140.0000 -108.76269 -106.05806 2.70462 1.87485 -106.43305 429.75559
8145.0000 -108.76730 -105.46947 3.29783 1.93847 -105.64017 486.49186
8150.0000 -108.32245 -105.88914 2.43331 1.90979 -105.99760 442.48364
8155.0000 -109.34815 -106.74528 2.60287 1.86281 -106.58314 423.42558
8160.0000 -108.91097 -106.73027 2.18070 1.88581 -106.29653 443.33016
8165.0000 -108.76557 -106.84181 1.92376 1.84320 -106.82758 406.70086
8170.0000 -108.66208 -105.92854 2.73354 1.89478 -106.18472 455.11258
8175.0000 -108.96688 -106.24492 2.72195 1.90553 -106.05067 449.37965
8180.0000 -109.18508 -107.00733 2.17775 1.86284 -106.58271 454.12897
8185.0000 -108.91937 -106.20074 2.71862 1.88735 -106.27734 478.81400
8190.0000 -108.89031 -106.17786 2.71244 1.88584 -106.29613 460.23808
8195.0000 -109.21485 -107.06817 2.14669 1.86126 -106.60247 445.94624
8200.0000 -109.02116 -106.72343 2.29773 1.82643 -107.03654 401.03752
8205.0000 -108.80497 -106.68538 2.11959 1.87102 -106.48081 447.06642
8210.0000 -109.19534 -106.43069 2.76465 1.84761 -106.77256 418.04763
8215.0000 -109.32608 -107.02999 2.29608 1.84759 -106.77286 415.18187
8220.0000 -109.30421 -107.42408 1.88013 1.83519 -106.92732 417.33448
8225.0000 -109.72329 -107.51402 2.20927 1.81096 -107.22935 396.29348
8230.0000 -109.21420 -107.06736 2.14684 1.81053 -107.23470 398.02902
8235.0000 -108.87376 -106.71375 2.16000 1.84287 -106.83168 428.87665
8240.0000 -109.23823 -106.44970 2.78854 1.89030 -106.24053 469.95686
8245.0000 -109.26151 -107.01639 2.24512 1.83300 -106.95466 421.70313
8250.0000 -109.82722 -107.04618 2.78104 1.79694 -107.40414 384.54813
FREEZING PROCESS: loop number 34 T-loop= 415.00000000000000
main_MD> interactions number 34 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.13979 -0.38970 -0.44223
force_rgl> df(natom) 1.24104 -2.90158 -1.16189
8255.0000 -108.90518 -106.82209 2.08309 1.85199 -106.71798 436.77090
8260.0000 -108.88005 -106.29534 2.58471 1.90211 -106.09326 482.47350
8265.0000 -108.85786 -105.86454 2.99331 1.90756 -106.02537 484.58675
8270.0000 -108.89899 -106.44529 2.45370 1.87577 -106.42157 460.07074
8275.0000 -109.23640 -106.97911 2.25729 1.84191 -106.84358 432.36407
8280.0000 -109.90447 -107.29913 2.60535 1.81309 -107.20283 387.79707
8285.0000 -109.14952 -107.06185 2.08766 1.82702 -107.02923 410.64804
8290.0000 -109.68691 -107.51375 2.17317 1.81998 -107.11689 395.36249
8295.0000 -109.12273 -107.28862 1.83411 1.80475 -107.30678 374.64645
8300.0000 -109.23604 -106.80216 2.43388 1.82452 -107.06036 396.40128
8305.0000 -109.08330 -106.46378 2.61953 1.85329 -106.70173 414.48529
8310.0000 -108.69043 -106.70475 1.98568 1.85206 -106.71716 401.63014
8315.0000 -109.35237 -106.98750 2.36486 1.83821 -106.88969 378.20890
8320.0000 -108.76962 -106.76677 2.00285 1.81826 -107.13831 379.65751
8325.0000 -108.80815 -106.57059 2.23757 1.84778 -106.77043 411.41354
8330.0000 -108.76625 -106.57005 2.19621 1.85474 -106.68371 420.77087
8335.0000 -109.41898 -106.39803 3.02095 1.87017 -106.49137 445.12109
8340.0000 -109.18001 -106.92984 2.25017 1.84415 -106.81575 419.43787
8345.0000 -108.89515 -106.63074 2.26441 1.83240 -106.96215 403.31984
8350.0000 -108.86183 -106.34282 2.51901 1.85420 -106.69041 420.18409
8355.0000 -109.13869 -107.00587 2.13282 1.86825 -106.51527 438.97278
8360.0000 -109.34159 -107.36084 1.98075 1.80492 -107.30457 373.36341
8365.0000 -109.06220 -106.27601 2.78619 1.81348 -107.19789 387.69190
8370.0000 -108.94946 -106.53950 2.40996 1.89023 -106.24144 454.60945
8375.0000 -109.55983 -106.76898 2.79084 1.88174 -106.34724 438.94818
8380.0000 -108.93989 -106.67517 2.26472 1.82572 -107.04535 402.55220
8385.0000 -108.96124 -106.08365 2.87759 1.90211 -106.09335 472.28570
8390.0000 -109.12540 -106.45634 2.66906 1.89883 -106.13423 480.26892
8395.0000 -109.30194 -106.88999 2.41195 1.85400 -106.69287 424.58819
8400.0000 -109.10034 -106.61076 2.48957 1.84655 -106.78583 408.06808
8405.0000 -108.50326 -106.48681 2.01645 1.87521 -106.42864 436.36435
8410.0000 -109.71929 -107.03223 2.68707 1.82991 -106.99316 414.95633
8415.0000 -109.27333 -107.28001 1.99332 1.82967 -106.99623 419.36215
8420.0000 -108.90477 -106.12660 2.77817 1.85107 -106.72944 420.58728
8425.0000 -108.67316 -106.03296 2.64020 1.89789 -106.14588 450.23728
8430.0000 -108.89744 -106.23016 2.66728 1.88374 -106.32230 455.07935
8435.0000 -108.98342 -106.76365 2.21978 1.85334 -106.70115 425.15737
8440.0000 -109.23019 -106.65097 2.57922 1.83117 -106.97745 392.77179
8445.0000 -109.69743 -107.58599 2.11144 1.82118 -107.10198 376.62189
8450.0000 -109.45629 -107.36389 2.09240 1.78700 -107.52794 339.03268
8455.0000 -109.43253 -106.85817 2.57437 1.82412 -107.06533 385.29043
8460.0000 -108.52950 -106.55144 1.97806 1.84130 -106.85116 400.69773
8465.0000 -109.15691 -107.12781 2.02911 1.82788 -107.01841 380.54456
8470.0000 -108.64565 -106.65388 1.99177 1.81821 -107.13905 368.48051
8475.0000 -109.02832 -106.41592 2.61239 1.89125 -106.22867 436.34705
8480.0000 -109.07669 -106.44957 2.62712 1.87722 -106.40352 432.20526
8485.0000 -109.00761 -107.24964 1.75796 1.86253 -106.58662 408.40078
8490.0000 -108.44112 -105.95886 2.48226 1.86623 -106.54047 415.81544
8495.0000 -108.85830 -106.24919 2.60910 1.88412 -106.31751 436.43542
8500.0000 -108.89783 -106.37143 2.52640 1.89268 -106.21087 436.26765
FREEZING PROCESS: loop number 35 T-loop= 390.00000000000000
main_MD> interactions number 35 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.51022 1.06598 -0.01814
force_rgl> df(natom) 1.84079 0.09283 1.57946
8505.0000 -108.69749 -106.18647 2.51101 1.89379 -106.19703 434.87817
8510.0000 -108.76071 -106.62226 2.13845 1.91115 -105.98061 452.43440
8515.0000 -108.73434 -106.45617 2.27817 1.88159 -106.34913 424.76724
8520.0000 -109.01841 -106.19211 2.82629 1.86207 -106.59237 424.82663
8525.0000 -108.73499 -106.21380 2.52119 1.86320 -106.57830 434.27020
8530.0000 -109.08718 -106.82637 2.26081 1.86280 -106.58324 429.81024
8535.0000 -109.54746 -107.00470 2.54276 1.82353 -107.07264 393.34495
8540.0000 -109.00329 -107.12033 1.88296 1.81043 -107.23593 371.94714
8545.0000 -109.03312 -106.48867 2.54445 1.86804 -106.51796 429.51232
8550.0000 -109.11368 -106.71607 2.39761 1.87289 -106.45748 417.80127
8555.0000 -108.68548 -106.50633 2.17915 1.84105 -106.85435 407.91983
8560.0000 -108.70933 -105.94998 2.75935 1.88476 -106.30961 420.01709
8565.0000 -108.85451 -106.12665 2.72786 1.92323 -105.83004 452.40077
8570.0000 -108.82655 -106.56143 2.26513 1.86735 -106.52656 391.03448
8575.0000 -108.97686 -106.14927 2.82759 1.88579 -106.29666 413.09239
8580.0000 -108.40844 -105.78857 2.61987 1.91753 -105.90115 445.12521
8585.0000 -108.35937 -105.74748 2.61189 1.92260 -105.83789 458.13693
8590.0000 -108.62540 -105.79362 2.83177 1.94032 -105.61706 471.16714
8595.0000 -108.55525 -106.18517 2.37008 1.88728 -106.27816 431.96209
8600.0000 -109.27660 -107.19524 2.08136 1.86026 -106.61487 417.07830
8605.0000 -108.68712 -106.44476 2.24236 1.84404 -106.81707 393.92181
8610.0000 -108.79766 -106.67456 2.12311 1.85683 -106.65767 419.11362
8615.0000 -109.59876 -107.38316 2.21561 1.82979 -106.99468 379.41618
8620.0000 -108.99735 -106.47312 2.52423 1.84206 -106.84179 404.09792
8625.0000 -109.20482 -107.08763 2.11719 1.85064 -106.73476 411.37327
8630.0000 -109.30378 -107.38539 1.91838 1.80836 -107.26170 357.93893
8635.0000 -109.26354 -106.95289 2.31065 1.83852 -106.88591 388.16964
8640.0000 -109.09242 -106.49207 2.60035 1.84294 -106.83074 389.10540
8645.0000 -108.19744 -105.61168 2.58576 1.90800 -106.01993 453.74307
8650.0000 -108.74003 -106.55920 2.18082 1.90759 -106.02500 438.27093
8655.0000 -108.67049 -106.52593 2.14456 1.83580 -106.91973 370.63018
8660.0000 -109.36067 -106.81607 2.54460 1.84393 -106.81838 372.53835
8665.0000 -109.02782 -106.55357 2.47425 1.86113 -106.60408 394.83942
8670.0000 -108.80085 -106.99115 1.80969 1.83056 -106.98508 382.64296
8675.0000 -109.39264 -106.75029 2.64235 1.83789 -106.89366 388.69664
8680.0000 -109.23287 -107.18372 2.04914 1.83672 -106.90830 388.50781
8685.0000 -108.67987 -106.35026 2.32961 1.84407 -106.81665 409.66914
8690.0000 -109.26448 -106.78289 2.48159 1.85185 -106.71969 423.16837
8695.0000 -109.77934 -108.10003 1.67931 1.80654 -107.28442 377.29589
8700.0000 -109.31031 -106.94044 2.36986 1.77077 -107.73026 341.68536
8705.0000 -109.48459 -107.35423 2.13036 1.79839 -107.38597 369.63653
8710.0000 -109.44404 -107.31854 2.12550 1.77815 -107.63833 343.97496
8715.0000 -109.21946 -107.11923 2.10023 1.82395 -107.06744 394.01125
8720.0000 -109.59691 -107.68171 1.91520 1.80223 -107.33819 359.12622
8725.0000 -109.15420 -107.12346 2.03074 1.79534 -107.42403 366.54786
8730.0000 -109.36388 -107.11139 2.25249 1.80736 -107.27425 375.46668
8735.0000 -109.11533 -106.89497 2.22037 1.81868 -107.13315 389.82015
8740.0000 -109.19314 -106.54230 2.65085 1.85764 -106.64755 427.47580
8745.0000 -109.69814 -107.44060 2.25754 1.81530 -107.17524 371.23825
8750.0000 -109.82438 -107.73348 2.09090 1.79225 -107.46255 375.75655
FREEZING PROCESS: loop number 36 T-loop= 365.00000000000000
main_MD> interactions number 36 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.19219 1.49639 1.69843
force_rgl> df(natom) -1.53830 -0.77045 -0.43803
8755.0000 -109.58082 -107.28992 2.29090 1.79845 -107.38525 383.11414
8760.0000 -109.74211 -108.07232 1.66980 1.75871 -107.88055 347.93295
8765.0000 -109.64984 -107.84335 1.80649 1.75795 -107.89002 351.45556
8770.0000 -109.50679 -107.44669 2.06010 1.78485 -107.55475 374.25262
8775.0000 -109.91002 -107.58100 2.32903 1.76312 -107.82563 347.57847
8780.0000 -109.45367 -106.99279 2.46088 1.81915 -107.12731 387.14788
8785.0000 -110.06162 -107.61819 2.44343 1.78620 -107.53790 360.70850
8790.0000 -109.97275 -108.02444 1.94831 1.77326 -107.69919 363.93799
8795.0000 -109.35109 -107.42166 1.92943 1.78058 -107.60797 363.30358
8800.0000 -109.35515 -107.58279 1.77236 1.78892 -107.50402 372.99175
8805.0000 -109.65573 -107.57140 2.08434 1.77210 -107.71365 350.44638
8810.0000 -109.54167 -107.04829 2.49338 1.78926 -107.49979 378.63345
8815.0000 -109.50112 -107.40439 2.09673 1.80909 -107.25268 400.00379
8820.0000 -109.94774 -107.92142 2.02632 1.78040 -107.61027 365.81214
8825.0000 -109.98081 -107.74520 2.23561 1.75331 -107.94785 337.42139
8830.0000 -109.78093 -107.47601 2.30492 1.77344 -107.69693 364.84891
8835.0000 -109.97371 -107.73572 2.23799 1.77251 -107.70860 367.51079
8840.0000 -109.48671 -107.40145 2.08526 1.77554 -107.67081 356.00619
8845.0000 -109.85170 -107.78251 2.06919 1.79323 -107.45030 379.86546
8850.0000 -109.71310 -107.93012 1.78299 1.75561 -107.91924 348.37920
8855.0000 -109.56083 -106.89623 2.66460 1.79381 -107.44312 383.56105
8860.0000 -109.41974 -107.35979 2.05995 1.79675 -107.40651 385.72032
8865.0000 -109.66923 -107.49783 2.17140 1.77867 -107.63175 373.99003
8870.0000 -110.08465 -108.06080 2.02385 1.75147 -107.97085 344.59660
8875.0000 -109.44128 -107.49987 1.94141 1.75227 -107.96078 336.00586
8880.0000 -109.79072 -107.63619 2.15453 1.77087 -107.72902 365.94998
8885.0000 -109.54336 -107.46711 2.07625 1.77517 -107.67540 368.20618
8890.0000 -109.71144 -107.69320 2.01824 1.78622 -107.53774 373.71212
8895.0000 -109.99250 -107.21779 2.77471 1.81704 -107.15356 409.37418
8900.0000 -109.46645 -107.33854 2.12791 1.81427 -107.18815 393.39309
8905.0000 -109.87205 -107.98823 1.88382 1.77650 -107.65879 362.13174
8910.0000 -109.74387 -107.71598 2.02789 1.75386 -107.94100 345.46623
8915.0000 -109.82552 -107.92663 1.89889 1.76577 -107.79252 348.35952
8920.0000 -109.78493 -107.99638 1.78855 1.78594 -107.54121 354.29836
8925.0000 -109.90039 -107.80320 2.09719 1.74683 -108.02860 329.81702
8930.0000 -109.83103 -107.89509 1.93593 1.74771 -108.01771 332.66431
8935.0000 -109.88374 -107.49879 2.38494 1.76536 -107.79771 353.83026
8940.0000 -109.55979 -107.61527 1.94452 1.79031 -107.48672 383.63290
8945.0000 -109.77495 -107.87727 1.89769 1.77499 -107.67763 357.91753
8950.0000 -109.82312 -107.88787 1.93525 1.75859 -107.88202 350.35764
8955.0000 -110.12548 -107.88226 2.24323 1.77885 -107.62950 366.85648
8960.0000 -109.48035 -107.68975 1.79060 1.75128 -107.97318 340.75669
8965.0000 -109.92393 -107.82974 2.09419 1.76545 -107.79659 350.92938
8970.0000 -110.22413 -108.13875 2.08538 1.75173 -107.96756 336.19264
8975.0000 -109.71466 -107.85513 1.85953 1.74778 -108.01678 339.00614
8980.0000 -109.35978 -107.17719 2.18260 1.79247 -107.45977 374.25716
8985.0000 -109.33335 -107.30915 2.02420 1.81122 -107.22609 389.05510
8990.0000 -109.22286 -106.86377 2.35910 1.81977 -107.11961 410.06607
8995.0000 -109.94958 -107.54376 2.40583 1.81135 -107.22450 393.79966
9000.0000 -109.24251 -107.20798 2.03452 1.79521 -107.42566 391.51280
FREEZING PROCESS: loop number 37 T-loop= 340.00000000000000
main_MD> interactions number 37 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.85224 -0.02054 0.87643
force_rgl> df(natom) -1.02883 -0.79770 1.49241
9005.0000 -109.61161 -107.44870 2.16290 1.79507 -107.42736 384.94596
9010.0000 -109.39142 -107.47176 1.91966 1.78234 -107.58606 370.24118
9015.0000 -109.77056 -107.68734 2.08322 1.79389 -107.44216 384.28135
9020.0000 -109.77404 -107.79412 1.97992 1.78817 -107.51338 380.01950
9025.0000 -109.95459 -108.08261 1.87198 1.74925 -107.99843 329.12814
9030.0000 -110.02586 -108.05595 1.96991 1.73819 -108.13632 330.23567
9035.0000 -110.11677 -107.97644 2.14033 1.73660 -108.15616 324.43718
9040.0000 -109.71863 -108.07056 1.64807 1.75834 -107.88512 345.44922
9045.0000 -109.92970 -108.07323 1.85648 1.74435 -108.05954 328.14035
9050.0000 -109.70810 -107.69425 2.01385 1.74729 -108.02296 334.33165
9055.0000 -109.85324 -107.93603 1.91720 1.76069 -107.85587 348.74201
9060.0000 -109.88167 -107.98437 1.89730 1.73723 -108.14828 327.10265
9065.0000 -109.76572 -107.72450 2.04122 1.75279 -107.95438 336.18607
9070.0000 -109.69390 -107.75237 1.94153 1.76698 -107.77745 348.34255
9075.0000 -109.70552 -107.94520 1.76032 1.73886 -108.12801 326.66369
9080.0000 -110.00632 -108.24303 1.76329 1.74910 -108.00028 341.00067
9085.0000 -109.89465 -108.40764 1.48701 1.73479 -108.17866 322.82522
9090.0000 -109.95662 -108.26353 1.69309 1.73609 -108.16244 322.15383
9095.0000 -110.25502 -108.46984 1.78518 1.72845 -108.25777 315.24375
9100.0000 -110.20728 -108.27784 1.92943 1.73782 -108.14096 330.69834
9105.0000 -109.72685 -107.87139 1.85546 1.74759 -108.01919 335.79894
9110.0000 -109.76964 -107.59072 2.17892 1.76439 -107.80972 350.33489
9115.0000 -110.09371 -108.08259 2.01112 1.75478 -107.92958 343.99061
9120.0000 -110.03463 -108.21464 1.82000 1.72832 -108.25929 320.59217
9125.0000 -109.74810 -107.80317 1.94493 1.73843 -108.13337 322.01794
9130.0000 -109.89865 -107.92832 1.97034 1.76449 -107.80847 348.22706
9135.0000 -110.12854 -108.41526 1.71328 1.73125 -108.22275 320.29637
9140.0000 -109.74789 -108.02415 1.72373 1.75221 -107.96153 340.27719
9145.0000 -110.27439 -108.04198 2.23241 1.74307 -108.07547 339.09214
9150.0000 -110.00726 -107.99720 2.01006 1.73598 -108.16389 328.60232
9155.0000 -110.07786 -108.33927 1.73859 1.72537 -108.29615 308.80869
9160.0000 -110.13532 -108.29626 1.83907 1.71524 -108.42229 303.79596
9165.0000 -110.48916 -108.76471 1.72445 1.69220 -108.70948 279.96594
9170.0000 -109.94367 -108.17040 1.77327 1.69625 -108.65907 284.92227
9175.0000 -109.52498 -107.57140 1.95358 1.76582 -107.79201 356.89676
9180.0000 -109.99330 -108.30767 1.68563 1.73525 -108.17295 323.30880
9185.0000 -110.00910 -108.19956 1.80954 1.74722 -108.02378 328.77167
9190.0000 -109.58967 -107.74788 1.84179 1.76299 -107.82724 347.46285
9195.0000 -109.76254 -107.48694 2.27560 1.78774 -107.51874 374.32123
9200.0000 -109.98515 -108.10039 1.88476 1.75219 -107.96180 335.99906
9205.0000 -109.74259 -107.90547 1.83712 1.75626 -107.91112 331.16451
9210.0000 -110.24911 -108.24950 1.99961 1.73446 -108.18282 314.89086
9215.0000 -110.17737 -107.90542 2.27194 1.72419 -108.31081 310.56885
9220.0000 -109.64458 -107.82284 1.82174 1.77034 -107.73561 363.66974
9225.0000 -110.01743 -108.65452 1.36290 1.73046 -108.23262 319.79765
9230.0000 -109.67688 -107.72457 1.95230 1.71542 -108.42011 299.68826
9235.0000 -110.20232 -108.46582 1.73650 1.73459 -108.18119 328.47277
9240.0000 -110.40553 -108.42988 1.97565 1.72598 -108.28852 314.92569
9245.0000 -110.26355 -107.93347 2.33009 1.73722 -108.14842 326.04955
9250.0000 -109.80124 -108.05124 1.75000 1.75937 -107.87237 342.59390
FREEZING PROCESS: loop number 38 T-loop= 315.00000000000000
main_MD> interactions number 38 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.28568 2.16200 -1.32319
force_rgl> df(natom) 2.42166 0.90382 0.41640
9255.0000 -110.06286 -107.83794 2.22492 1.75963 -107.86904 349.63895
9260.0000 -109.96132 -108.00331 1.95801 1.74536 -108.04691 332.69145
9265.0000 -109.82590 -107.72885 2.09705 1.72723 -108.27297 311.95099
9270.0000 -110.03875 -108.20477 1.83398 1.74484 -108.05341 331.95628
9275.0000 -110.27020 -108.43600 1.83419 1.71604 -108.41232 304.95043
9280.0000 -110.29049 -108.58878 1.70172 1.69094 -108.72518 279.14917
9285.0000 -110.29716 -108.50050 1.79667 1.71414 -108.43604 302.73752
9290.0000 -110.11567 -108.82739 1.28829 1.70236 -108.58290 300.85067
9295.0000 -110.19686 -108.29822 1.89864 1.70664 -108.52949 296.42690
9300.0000 -110.15454 -108.65194 1.50260 1.69985 -108.61411 288.09776
9305.0000 -109.91582 -107.82541 2.09041 1.72391 -108.31433 317.60385
9310.0000 -109.89076 -107.67135 2.21941 1.75768 -107.89335 352.09048
9315.0000 -109.93891 -107.99132 1.94759 1.75236 -107.95973 338.25576
9320.0000 -110.16764 -108.10066 2.06697 1.73787 -108.14024 314.64751
9325.0000 -110.05317 -108.33426 1.71891 1.73788 -108.14020 310.36599
9330.0000 -110.25702 -108.31994 1.93708 1.70337 -108.57024 288.01460
9335.0000 -110.44498 -108.81850 1.62649 1.70121 -108.59724 287.11784
9340.0000 -110.17869 -108.33533 1.84336 1.71518 -108.42304 308.75508
9345.0000 -109.82664 -108.15226 1.67438 1.75095 -107.97728 346.64302
9350.0000 -109.89977 -108.09930 1.80047 1.73360 -108.19351 315.66339
9355.0000 -109.73985 -107.50747 2.23239 1.78340 -107.57279 374.55468
9360.0000 -109.82958 -107.79698 2.03260 1.74912 -108.00011 339.46549
9365.0000 -109.50087 -107.78441 1.71646 1.73937 -108.12161 320.13357
9370.0000 -110.11761 -108.15114 1.96647 1.73175 -108.21661 320.92326
9375.0000 -109.88158 -108.22241 1.65917 1.71725 -108.39733 312.97756
9380.0000 -110.04840 -108.27235 1.77605 1.71506 -108.42454 306.89191
9385.0000 -110.47344 -108.47606 1.99738 1.71070 -108.47894 306.26314
9390.0000 -109.96804 -108.18597 1.78207 1.71874 -108.37871 310.14454
9395.0000 -110.26042 -108.59337 1.66705 1.71630 -108.40908 308.54658
9400.0000 -110.03089 -108.16623 1.86466 1.71165 -108.46713 300.49771
9405.0000 -110.49627 -108.82594 1.67034 1.69911 -108.62340 289.53726
9410.0000 -110.21407 -108.45417 1.75990 1.70013 -108.61065 294.39841
9415.0000 -110.30344 -108.42715 1.87629 1.71894 -108.37618 309.46188
9420.0000 -109.97700 -108.25530 1.72170 1.72760 -108.26829 318.51597
9425.0000 -109.77522 -107.80764 1.96758 1.75124 -107.97368 337.60189
9430.0000 -109.98682 -108.15056 1.83626 1.74967 -107.99326 344.27338
9435.0000 -110.15920 -108.35309 1.80611 1.72484 -108.30266 313.74658
9440.0000 -110.38055 -108.50559 1.87496 1.67863 -108.87861 266.93159
9445.0000 -110.35948 -108.68076 1.67873 1.69838 -108.63250 287.70303
9450.0000 -109.88987 -108.36325 1.52663 1.71746 -108.39464 311.70170
9455.0000 -110.42870 -108.67065 1.75805 1.72865 -108.25519 308.53829
9460.0000 -110.32185 -108.67825 1.64360 1.69736 -108.64518 288.99021
9465.0000 -110.13348 -108.05051 2.08297 1.72016 -108.36107 308.09463
9470.0000 -110.16391 -107.65315 2.51077 1.76431 -107.81071 349.92617
9475.0000 -110.22243 -108.45013 1.77229 1.72465 -108.30503 316.41136
9480.0000 -110.00289 -108.62751 1.37538 1.71827 -108.38455 303.57691
9485.0000 -110.09791 -108.32082 1.77709 1.71078 -108.47799 297.75680
9490.0000 -110.36721 -108.30510 2.06211 1.71884 -108.37751 309.18632
9495.0000 -110.00710 -108.34946 1.65764 1.72271 -108.32922 313.12139
9500.0000 -110.28788 -108.52252 1.76535 1.71385 -108.43964 307.83535
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 8 [min], 20.9363622 [s].
main_MD> Deallocating global variables
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