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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_90/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_90.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 = 90 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 90 9000
main_MD> Size of nv and nvoiz: 90 9000
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 = 90
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> 0.11357311021130351 -5.0915796824253491E-002 -0.10861576763885571 initial drift of cluster / NP1 for coalescence
init> 0.33420790393326399 0.35280369012626461 0.34209653159807052 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8531910673294434E-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) 3.09914 2.20314 0.89439
force_rgl> df(natom) 9.01424 -0.78930 0.25893
preparo> THERMALIZATION PROCESS AT 1288.1260249646095
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -191.90052134816631 16.094468925440761 -207.99499027360707 7.7145592496869581E-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 39
FREEZING PROCESS: loop number 1 T-loop= 1263.0000000000000
main_MD> interactions number 1 at Temperature= 1263.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29527 0.70874 -1.16188
force_rgl> df(natom) -1.60735 -1.29036 -1.06047
5.0000 -211.74417 -197.22389 14.52028 3.50398 -195.12957 1347.20979
10.0000 -207.94747 -194.91428 13.03319 3.39883 -197.24129 1278.57290
15.0000 -209.71006 -195.26752 14.44254 3.47932 -195.62481 1310.98045
20.0000 -210.50594 -193.91985 16.58609 3.50551 -195.09892 1386.61656
25.0000 -208.96934 -196.06890 12.90044 3.45098 -196.19401 1284.98012
30.0000 -209.46620 -195.28146 14.18474 3.46223 -195.96800 1293.43988
35.0000 -213.40431 -197.71893 15.68538 3.48922 -195.42606 1347.14178
40.0000 -208.88266 -195.09630 13.78636 3.45101 -196.19335 1306.79333
45.0000 -209.52895 -194.98937 14.53958 3.48918 -195.42692 1347.02197
50.0000 -214.65018 -201.87742 12.77275 3.33778 -198.46745 1235.72847
55.0000 -214.11900 -200.99248 13.12652 3.20310 -201.17212 1182.27870
60.0000 -214.16063 -198.32257 15.83806 3.21582 -200.91678 1143.65367
65.0000 -209.75646 -195.41537 14.34108 3.44965 -196.22077 1311.90586
70.0000 -213.04911 -198.59015 14.45896 3.36115 -197.99810 1239.60645
75.0000 -211.09848 -196.27768 14.82081 3.47815 -195.64835 1307.39123
80.0000 -210.06573 -194.44707 15.61866 3.54844 -194.23668 1374.47462
85.0000 -211.59376 -196.50506 15.08870 3.51543 -194.89961 1321.34143
90.0000 -210.00326 -195.43070 14.57255 3.50033 -195.20300 1355.18741
95.0000 -211.65456 -196.92265 14.73191 3.39649 -197.28838 1244.86894
100.0000 -214.26341 -199.51584 14.74757 3.40057 -197.20639 1284.37278
105.0000 -210.15947 -195.67651 14.48296 3.33702 -198.48263 1255.70435
110.0000 -213.58883 -197.95141 15.63741 3.37724 -197.67488 1250.79892
115.0000 -212.90826 -198.03843 14.86983 3.40384 -197.14070 1278.61345
120.0000 -212.80821 -197.70050 15.10771 3.42541 -196.70757 1304.70392
125.0000 -214.12445 -199.33039 14.79406 3.35428 -198.13594 1248.47922
130.0000 -213.72914 -198.90267 14.82647 3.24289 -200.37300 1167.94711
135.0000 -211.61189 -197.38053 14.23136 3.36824 -197.85566 1233.74229
140.0000 -210.43299 -195.59093 14.84207 3.43837 -196.44725 1232.80318
145.0000 -213.49520 -198.41243 15.08277 3.45561 -196.10112 1310.93855
150.0000 -212.28874 -199.54887 12.73987 3.39850 -197.24797 1280.01008
155.0000 -212.85734 -197.36298 15.49436 3.26289 -199.97134 1211.11173
160.0000 -211.12133 -196.60838 14.51295 3.40042 -197.20949 1274.24816
165.0000 -212.74900 -197.12232 15.62668 3.40303 -197.15697 1268.12445
170.0000 -211.88644 -196.85024 15.03620 3.37116 -197.79704 1267.29737
175.0000 -211.86904 -197.43185 14.43718 3.42105 -196.79514 1284.84636
180.0000 -212.01856 -194.65578 17.36278 3.43685 -196.47779 1309.64490
185.0000 -213.21021 -199.18230 14.02790 3.39908 -197.23641 1255.70964
190.0000 -210.75338 -195.53299 15.22039 3.37730 -197.67369 1280.97207
195.0000 -211.12917 -196.44685 14.68232 3.43363 -196.54244 1300.61828
200.0000 -211.86528 -196.22058 15.64471 3.43584 -196.49809 1290.12852
205.0000 -214.94447 -198.83825 16.10622 3.40754 -197.06639 1260.06391
210.0000 -211.94461 -197.19402 14.75059 3.34852 -198.25166 1251.45166
215.0000 -210.57873 -195.36280 15.21593 3.45540 -196.10528 1308.45256
220.0000 -208.03760 -193.34032 14.69729 3.45582 -196.09676 1324.22743
225.0000 -209.35020 -192.76814 16.58205 3.57953 -193.61229 1359.51018
230.0000 -210.18906 -195.49257 14.69649 3.57893 -193.62430 1395.71251
235.0000 -211.39324 -194.64818 16.74506 3.48961 -195.41827 1315.30924
240.0000 -208.53268 -195.58595 12.94673 3.52737 -194.65980 1358.87318
245.0000 -213.98410 -198.91278 15.07132 3.37452 -197.72961 1232.67881
250.0000 -211.83929 -198.74245 13.09683 3.35693 -198.08280 1248.18925
FREEZING PROCESS: loop number 2 T-loop= 1238.0000000000000
main_MD> interactions number 2 at Temperature= 1238.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57040 -0.59767 0.95950
force_rgl> df(natom) -0.55924 -1.62152 1.07561
255.0000 -212.81278 -197.64561 15.16717 3.30749 -199.07575 1201.45206
260.0000 -211.70994 -198.16128 13.54866 3.38314 -197.55643 1261.44779
265.0000 -212.96197 -199.23956 13.72241 3.28184 -199.59083 1184.34742
270.0000 -210.13700 -194.09573 16.04127 3.51386 -194.93115 1329.53635
275.0000 -212.20487 -199.50676 12.69812 3.43482 -196.51849 1274.94928
280.0000 -212.61603 -198.88010 13.73594 3.24173 -200.39636 1184.16532
285.0000 -213.11056 -200.95179 12.15877 3.22916 -200.64889 1167.56875
290.0000 -215.04210 -199.70310 15.33900 3.34717 -198.27874 1252.68935
295.0000 -212.47760 -197.63053 14.84707 3.32995 -198.62461 1201.56377
300.0000 -211.15293 -197.47102 13.68191 3.36422 -197.93636 1248.73621
305.0000 -212.31386 -193.44886 18.86501 3.50653 -195.07831 1335.18422
310.0000 -212.43416 -198.34327 14.09089 3.40839 -197.04944 1269.98515
315.0000 -215.95866 -200.89545 15.06321 3.25216 -200.18685 1183.85729
320.0000 -212.69677 -195.17798 17.51879 3.40489 -197.11960 1267.30523
325.0000 -212.51611 -197.39259 15.12352 3.47527 -195.70619 1331.11504
330.0000 -212.05084 -196.35709 15.69375 3.32027 -198.81914 1196.73224
335.0000 -212.39912 -198.39567 14.00345 3.35580 -198.10550 1254.84555
340.0000 -211.87079 -198.90326 12.96753 3.31349 -198.95512 1244.81877
345.0000 -210.10977 -195.94644 14.16333 3.40351 -197.14736 1263.46480
350.0000 -211.98290 -197.34524 14.63767 3.38024 -197.61476 1252.85968
355.0000 -213.55060 -200.23287 13.31773 3.32616 -198.70067 1214.28353
360.0000 -213.52664 -200.80375 12.72289 3.22404 -200.75159 1112.29723
365.0000 -213.71697 -198.81762 14.89935 3.30691 -199.08732 1218.10860
370.0000 -213.02967 -199.94539 13.08428 3.30649 -199.09580 1203.72980
375.0000 -211.31150 -197.11031 14.20119 3.37369 -197.74612 1244.51575
380.0000 -212.39177 -198.70842 13.68335 3.39064 -197.40575 1273.55442
385.0000 -212.87876 -198.46869 14.41007 3.28173 -199.59296 1184.49816
390.0000 -211.66679 -198.33453 13.33226 3.33845 -198.45397 1216.55893
395.0000 -213.80411 -199.64621 14.15790 3.28705 -199.48613 1162.65865
400.0000 -210.71417 -197.41576 13.29842 3.31250 -198.97510 1173.33786
405.0000 -212.45912 -196.45081 16.00831 3.48886 -195.43330 1340.29975
410.0000 -214.33257 -200.99716 13.33541 3.31039 -199.01753 1191.63709
415.0000 -213.06662 -197.79573 15.27089 3.26208 -199.98772 1183.75375
420.0000 -215.13204 -200.08014 15.05190 3.26731 -199.88268 1223.79186
425.0000 -214.06509 -199.15345 14.91165 3.26770 -199.87477 1204.54044
430.0000 -213.99726 -199.86127 14.13599 3.28954 -199.43614 1216.36766
435.0000 -215.16682 -200.45439 14.71243 3.33572 -198.50880 1230.19306
440.0000 -213.10874 -196.14519 16.96355 3.30985 -199.02833 1226.00995
445.0000 -210.29557 -196.07595 14.21963 3.42559 -196.70383 1242.27130
450.0000 -211.57595 -198.10077 13.47518 3.35725 -198.07648 1249.09464
455.0000 -215.03596 -199.79192 15.24404 3.28352 -199.55710 1211.61917
460.0000 -212.98973 -199.66843 13.32130 3.28519 -199.52351 1211.10365
465.0000 -214.92255 -203.57175 11.35080 3.20559 -201.12210 1165.77637
470.0000 -216.18030 -202.28607 13.89423 3.15711 -202.09576 1134.29543
475.0000 -216.48350 -205.74476 10.73874 3.08358 -203.57247 1084.31604
480.0000 -214.00236 -200.65767 13.34469 3.14198 -202.39966 1116.91056
485.0000 -214.55797 -198.23263 16.32534 3.30579 -199.10991 1206.36669
490.0000 -209.69276 -195.95376 13.73900 3.41164 -196.98417 1302.17414
495.0000 -213.05179 -196.96577 16.08601 3.44472 -196.31978 1311.71204
500.0000 -209.23851 -194.02068 15.21783 3.50651 -195.07877 1321.43351
FREEZING PROCESS: loop number 3 T-loop= 1213.0000000000000
main_MD> interactions number 3 at Temperature= 1213.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.12711 2.13855 0.34994
force_rgl> df(natom) -1.01587 1.09240 -4.12992
505.0000 -213.39604 -198.10844 15.28761 3.48815 -195.44760 1337.13068
510.0000 -213.10226 -200.62927 12.47299 3.31839 -198.85686 1218.80819
515.0000 -212.93987 -199.57120 13.36867 3.30250 -199.17602 1200.39784
520.0000 -214.69555 -200.89773 13.79782 3.27876 -199.65271 1160.98218
525.0000 -214.03113 -199.89741 14.13372 3.27513 -199.72563 1173.79146
530.0000 -212.39405 -200.25146 12.14259 3.24209 -200.38910 1166.03807
535.0000 -212.29027 -197.42813 14.86214 3.24626 -200.30532 1178.21742
540.0000 -212.33684 -198.15377 14.18306 3.37233 -197.77354 1246.40674
545.0000 -212.38121 -198.97201 13.40920 3.35455 -198.13053 1232.27169
550.0000 -211.85999 -191.85963 20.00036 3.43115 -196.59226 1305.00703
555.0000 -211.23513 -195.19784 16.03728 3.51658 -194.87664 1358.26288
560.0000 -210.49741 -195.44815 15.04926 3.47791 -195.65307 1302.92735
565.0000 -211.82940 -198.05977 13.76963 3.43529 -196.50912 1299.98294
570.0000 -213.88160 -200.52113 13.36047 3.32097 -198.80506 1226.56925
575.0000 -213.18715 -198.67065 14.51651 3.24177 -200.39562 1179.46302
580.0000 -214.29314 -199.74081 14.55233 3.25258 -200.17850 1174.13403
585.0000 -211.22855 -196.46194 14.76661 3.36657 -197.88925 1257.71321
590.0000 -214.58689 -199.92785 14.65904 3.39060 -197.40653 1274.81939
595.0000 -215.78893 -202.35405 13.43489 3.15143 -202.20996 1129.54460
600.0000 -213.06890 -200.15162 12.91728 3.19385 -201.35801 1134.36511
605.0000 -215.29180 -200.59711 14.69469 3.26748 -199.87919 1169.22667
610.0000 -212.62771 -197.42421 15.20350 3.35898 -198.04157 1245.00971
615.0000 -214.06322 -199.26804 14.79518 3.31685 -198.88770 1212.29084
620.0000 -211.32461 -198.52599 12.79862 3.31087 -199.00787 1237.09549
625.0000 -212.99171 -199.81603 13.17569 3.29193 -199.38824 1202.81288
630.0000 -214.48728 -200.43488 14.05240 3.25268 -200.17643 1186.46637
635.0000 -213.45457 -200.47077 12.98380 3.26933 -199.84217 1159.63036
640.0000 -215.67921 -202.43354 13.24567 3.25572 -200.11536 1185.04060
645.0000 -215.58885 -203.94865 11.64020 3.12323 -202.77619 1088.98243
650.0000 -215.28138 -202.05429 13.22709 3.11976 -202.84582 1113.00240
655.0000 -214.78547 -202.78669 11.99877 3.18546 -201.52651 1149.02190
660.0000 -214.87130 -202.58300 12.28830 3.12451 -202.75052 1114.78147
665.0000 -217.10771 -202.87967 14.22804 3.16489 -201.93959 1107.32546
670.0000 -214.86124 -199.42532 15.43592 3.21312 -200.97101 1144.94043
675.0000 -213.39939 -200.13836 13.26103 3.29576 -199.31135 1204.76539
680.0000 -214.91687 -199.35154 15.56533 3.33399 -198.54344 1248.86620
685.0000 -213.37664 -199.21473 14.16191 3.32755 -198.67295 1228.38608
690.0000 -211.55853 -197.47905 14.07948 3.32839 -198.65604 1198.01353
695.0000 -214.08132 -199.24711 14.83421 3.31367 -198.95158 1226.55763
700.0000 -212.21296 -198.75704 13.45592 3.28991 -199.42887 1198.47908
705.0000 -211.34609 -195.53610 15.80999 3.42327 -196.75054 1284.42002
710.0000 -210.00321 -197.32947 12.67374 3.38212 -197.57687 1222.96999
715.0000 -212.74943 -198.01389 14.73555 3.41196 -196.97758 1308.31773
720.0000 -217.13796 -202.69672 14.44123 3.23969 -200.43733 1188.95921
725.0000 -217.00977 -202.27053 14.73923 3.21734 -200.88618 1159.68633
730.0000 -213.30055 -198.97962 14.32093 3.25318 -200.16642 1172.89754
735.0000 -215.84894 -199.87994 15.96900 3.27881 -199.65177 1180.15220
740.0000 -213.15766 -199.95518 13.20248 3.25019 -200.22651 1183.89976
745.0000 -213.57718 -199.07591 14.50127 3.27928 -199.64225 1190.29434
750.0000 -213.16237 -200.28918 12.87320 3.26220 -199.98519 1179.50254
FREEZING PROCESS: loop number 4 T-loop= 1188.0000000000000
main_MD> interactions number 4 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.83465 4.52191 2.72303
force_rgl> df(natom) -1.73553 1.03629 -3.51938
755.0000 -213.11724 -200.15981 12.95743 3.23062 -200.61951 1163.31462
760.0000 -213.66905 -199.03385 14.63520 3.19859 -201.26272 1166.16354
765.0000 -214.40367 -200.43332 13.97035 3.31847 -198.85525 1209.93307
770.0000 -214.47947 -200.79844 13.68103 3.18464 -201.54288 1119.08308
775.0000 -214.92269 -200.02073 14.90196 3.18206 -201.59472 1139.52899
780.0000 -215.34915 -203.54959 11.79956 3.16497 -201.93801 1123.71551
785.0000 -218.65742 -203.48617 15.17125 3.09133 -203.41694 1081.67538
790.0000 -213.64521 -200.40194 13.24327 3.12423 -202.75619 1109.06579
795.0000 -215.95496 -202.02516 13.92980 3.17614 -201.71362 1159.68491
800.0000 -216.45599 -204.78135 11.67464 3.10729 -203.09629 1113.38964
805.0000 -214.60799 -201.03290 13.57509 3.10287 -203.18502 1100.14259
810.0000 -213.82538 -199.89525 13.93013 3.27134 -199.80170 1185.21013
815.0000 -213.65423 -199.46583 14.18840 3.28975 -199.43192 1203.65657
820.0000 -213.83038 -199.78446 14.04592 3.35780 -198.06527 1225.80434
825.0000 -213.01408 -200.17437 12.83971 3.27693 -199.68945 1168.28526
830.0000 -212.50529 -198.48614 14.01915 3.31207 -198.98366 1211.53241
835.0000 -212.63880 -197.85173 14.78707 3.30766 -199.07227 1222.83848
840.0000 -214.85186 -201.41555 13.43631 3.20839 -201.06588 1169.09871
845.0000 -214.21045 -200.98991 13.22053 3.19793 -201.27611 1135.45504
850.0000 -212.52461 -198.07730 14.44731 3.27903 -199.64722 1187.41613
855.0000 -210.45501 -197.16409 13.29092 3.37887 -197.64210 1244.93881
860.0000 -212.55308 -198.05725 14.49583 3.33387 -198.54596 1241.11794
865.0000 -214.43462 -198.02436 16.41025 3.36182 -197.98469 1242.61133
870.0000 -212.23796 -196.06179 16.17617 3.47641 -195.68328 1363.25667
875.0000 -214.04023 -200.89060 13.14963 3.26578 -199.91333 1196.41265
880.0000 -214.32346 -201.05188 13.27158 3.20586 -201.11670 1155.92349
885.0000 -214.98488 -202.14972 12.83516 3.18863 -201.46275 1157.95250
890.0000 -214.91036 -201.48246 13.42790 3.17623 -201.71190 1128.16066
895.0000 -214.65430 -201.34487 13.30943 3.17146 -201.80769 1135.13418
900.0000 -212.64556 -198.74249 13.90308 3.23463 -200.53894 1184.42707
905.0000 -212.79298 -197.31819 15.47479 3.33571 -198.50903 1244.85417
910.0000 -212.69971 -199.89536 12.80435 3.28826 -199.46199 1183.37288
915.0000 -213.90864 -199.32126 14.58738 3.28143 -199.59915 1186.26963
920.0000 -214.81109 -200.18016 14.63093 3.22549 -200.72255 1159.29750
925.0000 -211.79258 -199.21640 12.57619 3.24498 -200.33110 1145.41058
930.0000 -214.93242 -200.01908 14.91334 3.31545 -198.91577 1237.10661
935.0000 -215.23031 -200.55398 14.67633 3.23492 -200.53313 1160.55720
940.0000 -211.32058 -194.96033 16.36025 3.25222 -200.18568 1198.51727
945.0000 -210.31937 -196.02568 14.29369 3.46220 -195.96864 1347.00751
950.0000 -213.82490 -197.99176 15.83315 3.34067 -198.40937 1244.39438
955.0000 -211.61109 -198.32291 13.28818 3.42999 -196.61554 1315.25635
960.0000 -215.13955 -200.07050 15.06904 3.32687 -198.68647 1254.99960
965.0000 -212.90937 -199.66629 13.24308 3.17927 -201.65066 1138.92313
970.0000 -213.29076 -197.84369 15.44707 3.29281 -199.37059 1200.33566
975.0000 -211.63529 -197.33469 14.30060 3.38800 -197.45889 1270.46566
980.0000 -211.44736 -196.34891 15.09846 3.36324 -197.95601 1236.01728
985.0000 -214.52272 -199.38639 15.13633 3.38145 -197.59045 1252.90014
990.0000 -214.82277 -199.68090 15.14188 3.30688 -199.08787 1210.64657
995.0000 -212.76690 -198.71996 14.04695 3.36364 -197.94805 1243.88438
1000.0000 -212.58124 -198.86505 13.71618 3.33579 -198.50742 1235.96798
FREEZING PROCESS: loop number 5 T-loop= 1163.0000000000000
main_MD> interactions number 5 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.88109 10.26010 -6.96466
force_rgl> df(natom) 1.12954 1.93354 1.38612
1005.0000 -213.74683 -200.59217 13.15466 3.32684 -198.68708 1225.99901
1010.0000 -213.85957 -200.91913 12.94045 3.19710 -201.29266 1140.53712
1015.0000 -215.10010 -201.68854 13.41156 3.20055 -201.22331 1136.61822
1020.0000 -216.48341 -203.13265 13.35076 3.20469 -201.14016 1138.14229
1025.0000 -212.76449 -199.32121 13.44327 3.21699 -200.89315 1175.75460
1030.0000 -215.27864 -200.89937 14.37927 3.26630 -199.90300 1163.42176
1035.0000 -213.57124 -201.78773 11.78350 3.21856 -200.86160 1147.25439
1040.0000 -213.74237 -200.47159 13.27078 3.19516 -201.33173 1130.09163
1045.0000 -214.65473 -201.40360 13.25112 3.24199 -200.39114 1177.53103
1050.0000 -213.01890 -200.30336 12.71554 3.25930 -200.04349 1164.08529
1055.0000 -215.51905 -202.87589 12.64316 3.21876 -200.85777 1165.36235
1060.0000 -215.37966 -203.02943 12.35023 3.09769 -203.28921 1069.09711
1065.0000 -213.55946 -200.53720 13.02226 3.15017 -202.23518 1144.44711
1070.0000 -212.44597 -197.82884 14.61714 3.27505 -199.72716 1158.21346
1075.0000 -211.76677 -200.11669 11.65008 3.33245 -198.57449 1252.46704
1080.0000 -214.16788 -200.43642 13.73146 3.26492 -199.93071 1180.21622
1085.0000 -213.56899 -201.87652 11.69247 3.22326 -200.76728 1144.13921
1090.0000 -213.79483 -201.29211 12.50272 3.16548 -201.92768 1108.58624
1095.0000 -215.13214 -201.74307 13.38908 3.16678 -201.90153 1099.59249
1100.0000 -213.34468 -200.39524 12.94944 3.25519 -200.12607 1197.95908
1105.0000 -213.86259 -199.38285 14.47974 3.29430 -199.34056 1222.48634
1110.0000 -212.07289 -197.57047 14.50242 3.33720 -198.47902 1224.94118
1115.0000 -213.59979 -198.64637 14.95342 3.27730 -199.68205 1185.70556
1120.0000 -215.28042 -200.20495 15.07547 3.24582 -200.31433 1203.97124
1125.0000 -216.42523 -203.56492 12.86031 3.15159 -202.20660 1140.04877
1130.0000 -214.79706 -201.38714 13.40991 3.14559 -202.32710 1121.85607
1135.0000 -214.62895 -201.76467 12.86429 3.22335 -200.76550 1124.82349
1140.0000 -215.55038 -199.25595 16.29443 3.27577 -199.71279 1208.77178
1145.0000 -213.39591 -199.10895 14.28696 3.29297 -199.36732 1208.65971
1150.0000 -209.84920 -195.75651 14.09269 3.40002 -197.21737 1273.95339
1155.0000 -212.38248 -197.12288 15.25960 3.47926 -195.62604 1308.47809
1160.0000 -215.05345 -200.61498 14.43847 3.40815 -197.05422 1290.47300
1165.0000 -213.46966 -200.09159 13.37807 3.19691 -201.29647 1137.02778
1170.0000 -214.46791 -199.69798 14.76994 3.28834 -199.46033 1209.72910
1175.0000 -210.91708 -198.65554 12.26154 3.26105 -200.00841 1178.31885
1180.0000 -212.68020 -199.31078 13.36942 3.33010 -198.62169 1196.36343
1185.0000 -214.82587 -200.49152 14.33435 3.22704 -200.69135 1170.48649
1190.0000 -215.83511 -201.89416 13.94095 3.23422 -200.54727 1157.43455
1195.0000 -210.69149 -198.39949 12.29201 3.24121 -200.40689 1163.91411
1200.0000 -211.66743 -198.49766 13.16977 3.38645 -197.48986 1250.34337
1205.0000 -214.65273 -200.11440 14.53833 3.29341 -199.35846 1226.85480
1210.0000 -212.61244 -198.01866 14.59378 3.24239 -200.38307 1178.22676
1215.0000 -211.36240 -196.48399 14.87841 3.39601 -197.29793 1281.42410
1220.0000 -213.37489 -200.17827 13.19662 3.40859 -197.04529 1270.52361
1225.0000 -213.51318 -199.42576 14.08742 3.23869 -200.45749 1170.29670
1230.0000 -215.23476 -200.92876 14.30601 3.28052 -199.61736 1183.64252
1235.0000 -213.14503 -200.25607 12.88896 3.22240 -200.78457 1153.00079
1240.0000 -214.76049 -200.65367 14.10682 3.29582 -199.31005 1191.05409
1245.0000 -215.75301 -202.79727 12.95575 3.18845 -201.46630 1141.47705
1250.0000 -215.96327 -202.52426 13.43900 3.15534 -202.13136 1136.82298
FREEZING PROCESS: loop number 6 T-loop= 1138.0000000000000
main_MD> interactions number 6 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.24285 -3.77468 -1.25107
force_rgl> df(natom) 1.65190 -2.14620 -0.52050
1255.0000 -215.59963 -202.43617 13.16346 3.15535 -202.13120 1104.79917
1260.0000 -217.81574 -203.11624 14.69950 3.11092 -203.02346 1114.94349
1265.0000 -214.21370 -200.92755 13.28615 3.14826 -202.27344 1128.93981
1270.0000 -214.18288 -199.07962 15.10326 3.23476 -200.53640 1194.54018
1275.0000 -214.23340 -199.74538 14.48802 3.22269 -200.77870 1151.73435
1280.0000 -212.54130 -198.61172 13.92958 3.21482 -200.93689 1131.33028
1285.0000 -214.18223 -199.43996 14.74227 3.38825 -197.45390 1271.33016
1290.0000 -213.34249 -200.54603 12.79646 3.28711 -199.48508 1184.20486
1295.0000 -215.97559 -202.18048 13.79511 3.18565 -201.52260 1151.10136
1300.0000 -212.26446 -199.74190 12.52257 3.19154 -201.40429 1142.35998
1305.0000 -212.95831 -200.49121 12.46710 3.20279 -201.17846 1137.94472
1310.0000 -214.49895 -203.13261 11.36634 3.07130 -203.81914 1073.46630
1315.0000 -214.99499 -201.22979 13.76521 3.17343 -201.76795 1127.14583
1320.0000 -212.62932 -199.05427 13.57505 3.26259 -199.97748 1180.73646
1325.0000 -216.53564 -204.47062 12.06502 3.13533 -202.53312 1119.40899
1330.0000 -215.91928 -202.89066 13.02862 3.09999 -203.24288 1097.01258
1335.0000 -213.57146 -201.64650 11.92495 3.12131 -202.81470 1106.62143
1340.0000 -214.40411 -200.97996 13.42415 3.16515 -201.93428 1132.45699
1345.0000 -215.49644 -202.74391 12.75253 3.12853 -202.66968 1104.95133
1350.0000 -214.85273 -202.28705 12.56568 3.12954 -202.64942 1089.58002
1355.0000 -215.38055 -203.34795 12.03259 3.14064 -202.42655 1086.95714
1360.0000 -213.83319 -200.61910 13.21409 3.15150 -202.20837 1129.65717
1365.0000 -216.00255 -203.33941 12.66314 3.18636 -201.50832 1150.67815
1370.0000 -213.56943 -199.09848 14.47094 3.16191 -201.99931 1094.73647
1375.0000 -213.75936 -198.01559 15.74376 3.35011 -198.21978 1275.46354
1380.0000 -216.10237 -204.63384 11.46853 3.16948 -201.84741 1161.37737
1385.0000 -214.29068 -203.76787 10.52281 3.08910 -203.46171 1080.15579
1390.0000 -216.64748 -204.96513 11.68235 3.12908 -202.65876 1096.01211
1395.0000 -215.41998 -202.34995 13.07002 3.10615 -203.11931 1116.29440
1400.0000 -215.75507 -201.60812 14.14696 3.20141 -201.20603 1181.10787
1405.0000 -215.42352 -204.48643 10.93710 3.09665 -203.31005 1058.84134
1410.0000 -217.43474 -206.68324 10.75150 3.02067 -204.83585 1046.20261
1415.0000 -215.44264 -202.14090 13.30174 3.04444 -204.35861 1010.30451
1420.0000 -212.15762 -197.49705 14.66056 3.24844 -200.26168 1183.39452
1425.0000 -212.75412 -198.76846 13.98566 3.34596 -198.30310 1216.15911
1430.0000 -213.04732 -200.22492 12.82239 3.33825 -198.45795 1233.66834
1435.0000 -215.38318 -199.06878 16.31440 3.25293 -200.17154 1196.76728
1440.0000 -213.62505 -200.00766 13.61739 3.29575 -199.31147 1197.26685
1445.0000 -214.86563 -199.83673 15.02890 3.27153 -199.79788 1181.49861
1450.0000 -213.50481 -200.91810 12.58671 3.28251 -199.57734 1200.04286
1455.0000 -214.12492 -198.96697 15.15796 3.19458 -201.34325 1134.28827
1460.0000 -216.69228 -201.56133 15.13094 3.24488 -200.33321 1163.72654
1465.0000 -216.26816 -202.79064 13.47752 3.16233 -201.99090 1145.04929
1470.0000 -213.46977 -202.47894 10.99083 3.14658 -202.30724 1107.31831
1475.0000 -212.96205 -200.69655 12.26550 3.19781 -201.27845 1129.87237
1480.0000 -214.60778 -200.10591 14.50187 3.19188 -201.39749 1133.14173
1485.0000 -213.41480 -200.60634 12.80846 3.24388 -200.35328 1191.61100
1490.0000 -216.56125 -202.82314 13.73811 3.21159 -201.00172 1192.85599
1495.0000 -214.77218 -203.22133 11.55084 3.15809 -202.07605 1157.10641
1500.0000 -212.82974 -199.16053 13.66921 3.22816 -200.66882 1157.44688
FREEZING PROCESS: loop number 7 T-loop= 1113.0000000000000
main_MD> interactions number 7 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.72967 2.26475 -0.82168
force_rgl> df(natom) -4.16914 -3.18170 0.94887
1505.0000 -215.15232 -202.66166 12.49066 3.19726 -201.28946 1115.50541
1510.0000 -213.71051 -200.57184 13.13866 3.19696 -201.29540 1128.93756
1515.0000 -215.58523 -204.08838 11.49686 3.15224 -202.19367 1103.94516
1520.0000 -218.00792 -205.29343 12.71449 2.99843 -205.28261 1033.49195
1525.0000 -216.71700 -203.55681 13.16019 2.99716 -205.30799 1031.63576
1530.0000 -216.79065 -206.57188 10.21878 3.00293 -205.19210 1031.89931
1535.0000 -215.57778 -202.83462 12.74316 3.02380 -204.77309 1042.46386
1540.0000 -215.22879 -202.20550 13.02328 3.10220 -203.19857 1078.50053
1545.0000 -215.55454 -201.06576 14.48878 3.14549 -202.32924 1128.46709
1550.0000 -215.56285 -203.64971 11.91313 3.17370 -201.76269 1139.98894
1555.0000 -215.68873 -203.25171 12.43702 3.12663 -202.70793 1101.93621
1560.0000 -215.85790 -203.03413 12.82377 3.15653 -202.10754 1075.55240
1565.0000 -215.55433 -204.11169 11.44264 3.08315 -203.58110 1081.79417
1570.0000 -217.02607 -202.86152 14.16455 3.11967 -202.84766 1087.95920
1575.0000 -213.65136 -200.29626 13.35510 3.16870 -201.86294 1104.00217
1580.0000 -215.07127 -200.07642 14.99484 3.23088 -200.61430 1155.97229
1585.0000 -214.43805 -201.52797 12.91008 3.19583 -201.31812 1145.25567
1590.0000 -215.60960 -204.30011 11.30949 3.08095 -203.62525 1064.74609
1595.0000 -217.19594 -202.54320 14.65275 3.13593 -202.52115 1120.55535
1600.0000 -214.12912 -203.63186 10.49726 3.12025 -202.83596 1078.79025
1605.0000 -215.19185 -202.06919 13.12266 3.18638 -201.50788 1118.28267
1610.0000 -217.21998 -205.26244 11.95755 3.05611 -204.12428 1072.56340
1615.0000 -213.68099 -200.90006 12.78093 3.14788 -202.28115 1102.33895
1620.0000 -215.87480 -202.88309 12.99171 3.14853 -202.26811 1122.09242
1625.0000 -215.50253 -203.07004 12.43249 3.14756 -202.28768 1153.20483
1630.0000 -215.54032 -201.79141 13.74891 3.15107 -202.21702 1100.81386
1635.0000 -214.31391 -201.90201 12.41189 3.19638 -201.30708 1109.03813
1640.0000 -217.28510 -205.00760 12.27750 3.03265 -204.59530 1014.44169
1645.0000 -216.09966 -203.95241 12.14725 3.04259 -204.39563 1031.06776
1650.0000 -213.04653 -202.15930 10.88724 3.14855 -202.26770 1128.58953
1655.0000 -215.41854 -202.68968 12.72886 3.12516 -202.73749 1118.75937
1660.0000 -214.99290 -202.82179 12.17111 3.11307 -202.98031 1086.10391
1665.0000 -214.17234 -200.86876 13.30358 3.13739 -202.49192 1106.06157
1670.0000 -214.19815 -199.90040 14.29775 3.26982 -199.83227 1209.77234
1675.0000 -215.71683 -202.06819 13.64864 3.22964 -200.63922 1151.69534
1680.0000 -214.46498 -202.76279 11.70219 3.13419 -202.55615 1105.03912
1685.0000 -213.40181 -200.42640 12.97542 3.19410 -201.35290 1152.04763
1690.0000 -216.60797 -202.93823 13.66974 3.15872 -202.06342 1125.90552
1695.0000 -216.19282 -204.15706 12.03576 3.02104 -204.82844 1066.09496
1700.0000 -216.52145 -204.46460 12.05685 3.04488 -204.34972 1039.68452
1705.0000 -216.66100 -204.10081 12.56020 2.99892 -205.27263 1010.51040
1710.0000 -215.33585 -203.27758 12.05827 3.07141 -203.81694 1065.12279
1715.0000 -215.82045 -203.06077 12.75968 3.10519 -203.13860 1072.46137
1720.0000 -216.83195 -205.20453 11.62742 3.03329 -204.58250 1028.15590
1725.0000 -215.88641 -205.26629 10.62012 2.96326 -205.98880 980.41963
1730.0000 -216.41964 -204.76926 11.65038 3.01533 -204.94310 1038.32819
1735.0000 -216.46909 -202.97209 13.49700 3.00894 -205.07157 1039.40558
1740.0000 -213.74947 -200.40740 13.34207 3.14473 -202.34435 1094.33190
1745.0000 -214.05152 -202.22303 11.82848 3.18747 -201.48614 1127.77376
1750.0000 -216.12028 -202.44663 13.67365 3.16634 -201.91037 1111.24876
FREEZING PROCESS: loop number 8 T-loop= 1088.0000000000000
main_MD> interactions number 8 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.29355 1.95052 -2.15673
force_rgl> df(natom) -1.51836 -1.43418 0.34446
1755.0000 -217.04018 -203.44321 13.59696 3.11967 -202.84780 1087.99868
1760.0000 -216.57425 -203.17116 13.40308 3.16001 -202.03747 1134.96736
1765.0000 -216.63077 -205.72921 10.90155 3.06300 -203.98584 1038.01753
1770.0000 -217.17406 -205.07212 12.10194 3.04311 -204.38520 1033.87686
1775.0000 -218.77852 -207.06010 11.71842 2.91529 -206.95225 991.64455
1780.0000 -218.88862 -207.93353 10.95510 2.89795 -207.30056 958.89840
1785.0000 -218.31936 -207.41862 10.90074 2.91133 -207.03176 963.77923
1790.0000 -217.92173 -206.17877 11.74295 2.92620 -206.73310 988.13431
1795.0000 -215.78145 -202.61154 13.16990 3.04501 -204.34702 1027.13180
1800.0000 -214.34966 -202.31449 12.03517 3.18051 -201.62587 1137.64822
1805.0000 -216.05206 -204.07834 11.97372 3.14896 -202.25951 1121.37953
1810.0000 -218.49305 -204.69308 13.79996 3.09650 -203.31303 1079.20145
1815.0000 -216.30011 -204.87496 11.42515 3.07518 -203.74122 1072.08925
1820.0000 -215.43046 -202.99181 12.43865 3.05983 -204.04950 1045.58982
1825.0000 -213.35558 -201.41606 11.93951 3.09068 -203.42985 1070.39967
1830.0000 -214.71415 -199.33002 15.38413 3.26744 -199.88004 1199.91330
1835.0000 -213.35755 -199.80990 13.54766 3.34519 -198.31858 1244.60938
1840.0000 -216.51476 -202.64122 13.87354 3.19669 -201.30088 1137.72679
1845.0000 -211.93058 -200.44155 11.48903 3.19203 -201.39452 1163.46836
1850.0000 -213.67328 -200.17827 13.49502 3.24740 -200.28251 1187.23296
1855.0000 -215.18372 -201.48464 13.69908 3.19525 -201.32990 1123.66390
1860.0000 -215.23325 -201.39017 13.84308 3.14841 -202.27057 1094.92427
1865.0000 -213.54819 -202.41751 11.13068 3.12923 -202.65579 1120.40064
1870.0000 -214.29641 -201.43040 12.86600 3.12599 -202.72081 1092.00075
1875.0000 -216.50491 -203.85872 12.64619 3.10726 -203.09700 1094.48369
1880.0000 -213.74346 -200.95223 12.79123 3.16975 -201.84186 1130.68413
1885.0000 -217.24444 -203.22379 14.02065 3.14447 -202.34973 1130.91027
1890.0000 -216.24440 -204.75279 11.49162 3.07078 -203.82954 1058.97630
1895.0000 -214.54601 -202.52428 12.02173 3.07835 -203.67754 1079.83442
1900.0000 -214.67864 -203.39351 11.28513 3.08088 -203.62669 1066.62859
1905.0000 -214.33187 -201.79517 12.53670 3.18292 -201.57744 1132.18810
1910.0000 -217.94049 -205.03405 12.90644 3.10140 -203.21471 1063.66816
1915.0000 -215.83244 -202.74214 13.09030 3.04215 -204.40461 1051.46086
1920.0000 -218.56158 -207.06535 11.49622 3.03528 -204.54259 1052.82312
1925.0000 -216.62448 -204.78661 11.83786 2.99226 -205.40644 999.50782
1930.0000 -217.58222 -205.74462 11.83760 3.00363 -205.17817 1029.13933
1935.0000 -215.82461 -201.62013 14.20448 3.03057 -204.63706 1053.17459
1940.0000 -215.31499 -202.02809 13.28690 3.11998 -202.84153 1095.07238
1945.0000 -214.20620 -201.84259 12.36361 3.18412 -201.55329 1134.86600
1950.0000 -214.46779 -201.61834 12.84945 3.16045 -202.02870 1106.05929
1955.0000 -216.11161 -203.92939 12.18222 3.12326 -202.77558 1098.56669
1960.0000 -216.79206 -205.17868 11.61339 3.02821 -204.68441 1054.85704
1965.0000 -216.85742 -204.13103 12.72639 3.02369 -204.77521 1031.55953
1970.0000 -215.95782 -202.30481 13.65301 3.11612 -202.91903 1087.68390
1975.0000 -216.03582 -202.23296 13.80286 3.09576 -203.32779 1075.33620
1980.0000 -215.39975 -203.64033 11.75941 3.18909 -201.45350 1131.08979
1985.0000 -216.10295 -203.21434 12.88861 3.03923 -204.46318 1060.18555
1990.0000 -217.06279 -204.21064 12.85215 3.07562 -203.73229 1096.69264
1995.0000 -218.24603 -205.82480 12.42123 3.05175 -204.21177 1075.31780
2000.0000 -216.51678 -204.22278 12.29400 3.05713 -204.10369 1075.66198
FREEZING PROCESS: loop number 9 T-loop= 1063.0000000000000
main_MD> interactions number 9 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.75956 0.61093 -1.25661
force_rgl> df(natom) -2.43060 -0.04683 -3.59570
2005.0000 -217.38538 -205.98040 11.40498 3.00903 -205.06959 1010.64231
2010.0000 -216.09217 -203.95798 12.13420 3.04894 -204.26817 1058.16580
2015.0000 -216.25354 -204.80583 11.44771 3.00433 -205.16406 1024.71014
2020.0000 -215.47835 -202.41819 13.06016 3.08530 -203.53797 1068.54529
2025.0000 -214.25569 -202.09152 12.16417 3.19099 -201.41548 1141.64607
2030.0000 -213.54204 -202.91404 10.62800 3.14805 -202.27766 1101.69519
2035.0000 -216.61129 -204.51990 12.09139 3.11487 -202.94409 1086.66554
2040.0000 -217.17189 -203.75365 13.41824 3.04685 -204.31005 1049.45023
2045.0000 -214.49964 -203.69525 10.80439 3.15459 -202.14641 1118.63822
2050.0000 -213.79609 -202.52607 11.27002 3.14710 -202.29685 1116.91262
2055.0000 -217.59041 -204.68572 12.90468 3.11361 -202.96946 1116.21779
2060.0000 -216.23428 -203.26974 12.96454 3.08027 -203.63901 1084.04652
2065.0000 -216.21106 -205.80042 10.41065 3.03491 -204.54990 1043.63456
2070.0000 -217.25820 -205.37905 11.87915 3.01184 -205.01332 994.70012
2075.0000 -216.06711 -204.81772 11.24938 3.03933 -204.46116 1055.19796
2080.0000 -218.06019 -205.33615 12.72403 2.96763 -205.90108 1006.82943
2085.0000 -215.63737 -204.63983 10.99754 3.04153 -204.41708 1056.79455
2090.0000 -218.20697 -205.65184 12.55513 2.99733 -205.30472 1010.17239
2095.0000 -216.83841 -204.21511 12.62331 2.99687 -205.31384 1039.16505
2100.0000 -217.63023 -205.75064 11.87958 3.04382 -204.37105 1059.95462
2105.0000 -217.20368 -206.54242 10.66126 3.00322 -205.18645 1020.71822
2110.0000 -215.74679 -203.15959 12.58720 3.05241 -204.19843 1037.22305
2115.0000 -216.76280 -203.76428 12.99852 3.04931 -204.26078 1052.80381
2120.0000 -218.32962 -206.55508 11.77453 2.99135 -205.42469 1024.88685
2125.0000 -215.64233 -204.82420 10.81813 2.99011 -205.44971 1007.46454
2130.0000 -215.21209 -201.62357 13.58852 3.12462 -202.74837 1076.25708
2135.0000 -215.52790 -203.47362 12.05428 3.13345 -202.57099 1114.04199
2140.0000 -216.17781 -203.18917 12.98864 3.12949 -202.65045 1106.89979
2145.0000 -217.45978 -202.24708 15.21271 3.05541 -204.13814 1062.55672
2150.0000 -217.46119 -205.39495 12.06624 3.07752 -203.69421 1055.65893
2155.0000 -216.57332 -204.12766 12.44565 3.03776 -204.49267 1038.61016
2160.0000 -214.90600 -202.82486 12.08113 3.08510 -203.54198 1068.05537
2165.0000 -213.67437 -199.37103 14.30334 3.24747 -200.28116 1161.71405
2170.0000 -212.91718 -199.82766 13.08952 3.20643 -201.10540 1155.17688
2175.0000 -211.53855 -198.16074 13.37781 3.26371 -199.95494 1178.83490
2180.0000 -214.87417 -202.03355 12.84063 3.25252 -200.17967 1192.91266
2185.0000 -214.89933 -201.58181 13.31752 3.12200 -202.80091 1099.27896
2190.0000 -214.76733 -202.30950 12.45784 3.11723 -202.89664 1099.76703
2195.0000 -214.29347 -199.68293 14.61054 3.18971 -201.44100 1160.50003
2200.0000 -216.13392 -203.43660 12.69732 3.20315 -201.17116 1150.77045
2205.0000 -214.59849 -202.99150 11.60700 3.12566 -202.72744 1086.03690
2210.0000 -216.16537 -204.51056 11.65481 3.08108 -203.62277 1086.74280
2215.0000 -217.49587 -204.85066 12.64521 3.03584 -204.53127 1057.66912
2220.0000 -215.79640 -203.84246 11.95394 3.06260 -203.99389 1076.89534
2225.0000 -219.12109 -205.57980 13.54129 3.04960 -204.25482 1046.41730
2230.0000 -217.07899 -206.40926 10.66972 2.96924 -205.86883 1012.80456
2235.0000 -216.88570 -205.34889 11.53681 2.95635 -206.12769 992.32102
2240.0000 -215.88627 -204.74692 11.13934 3.01180 -205.01399 1039.59649
2245.0000 -217.01662 -203.44904 13.56758 3.03386 -204.57094 1045.10383
2250.0000 -217.05411 -205.55119 11.50291 3.05867 -204.07282 1020.17898
FREEZING PROCESS: loop number 10 T-loop= 1038.0000000000000
main_MD> interactions number 10 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89039 0.89659 -0.20437
force_rgl> df(natom) -8.25467 -1.85599 -0.22755
2255.0000 -217.02584 -206.09852 10.92732 3.00812 -205.08800 1003.55718
2260.0000 -216.20718 -203.70206 12.50512 3.04669 -204.31337 1024.68237
2265.0000 -217.88449 -207.16315 10.72134 3.03358 -204.57664 1021.47876
2270.0000 -218.06021 -206.96887 11.09134 2.92567 -206.74380 959.29229
2275.0000 -217.60045 -205.54142 12.05903 2.93317 -206.59328 971.11639
2280.0000 -215.56549 -202.49368 13.07182 3.07469 -203.75103 1035.08081
2285.0000 -216.05554 -203.97323 12.08231 3.09124 -203.41864 1071.46141
2290.0000 -216.36031 -204.37944 11.98087 3.05762 -204.09379 1052.47745
2295.0000 -214.93131 -202.46197 12.46934 3.09302 -203.38299 1099.37828
2300.0000 -217.58159 -204.98584 12.59574 3.03732 -204.50163 1065.99712
2305.0000 -216.90360 -204.77354 12.13006 3.01827 -204.88404 1027.80074
2310.0000 -217.03986 -206.26763 10.77223 2.96106 -206.03307 986.04089
2315.0000 -217.29217 -205.96612 11.32605 2.95303 -206.19443 998.08799
2320.0000 -216.47532 -203.48211 12.99321 3.05268 -204.19311 1053.75443
2325.0000 -216.84803 -204.59033 12.25770 3.00068 -205.23739 1009.37619
2330.0000 -214.94048 -204.35906 10.58142 3.00817 -205.08705 1040.92804
2335.0000 -215.16432 -204.76499 10.39932 3.00382 -205.17426 1049.07545
2340.0000 -214.94430 -202.54735 12.39695 3.07685 -203.70763 1075.58378
2345.0000 -213.05706 -200.62524 12.43181 3.16694 -201.89828 1154.19748
2350.0000 -215.49214 -200.04948 15.44266 3.27288 -199.77071 1190.82821
2355.0000 -218.51460 -205.36268 13.15192 3.07323 -203.78031 1052.29631
2360.0000 -216.46050 -205.53539 10.92512 2.98356 -205.58113 1016.25450
2365.0000 -216.49777 -204.55940 11.93837 2.96650 -205.92386 1009.20138
2370.0000 -216.53922 -203.13998 13.39924 3.09242 -203.39488 1065.71585
2375.0000 -214.83393 -200.33807 14.49586 3.12711 -202.69826 1102.65301
2380.0000 -215.99020 -202.16726 13.82293 3.18440 -201.54780 1143.44192
2385.0000 -217.47110 -205.12070 12.35040 3.05577 -204.13100 1057.63328
2390.0000 -216.22590 -203.06734 13.15856 3.07271 -203.79073 1056.72153
2395.0000 -215.56380 -203.72897 11.83482 3.11965 -202.84805 1067.82364
2400.0000 -218.20265 -207.64845 10.55420 3.00166 -205.21768 1020.86363
2405.0000 -218.37411 -206.18803 12.18608 2.92461 -206.76502 988.32608
2410.0000 -216.75766 -206.10244 10.65522 2.96329 -205.98834 1003.80116
2415.0000 -217.64137 -207.02246 10.61891 2.88844 -207.49159 948.72036
2420.0000 -217.17685 -206.52997 10.64687 2.95268 -206.20131 981.99612
2425.0000 -216.63548 -205.39918 11.23630 2.93325 -206.59159 973.59823
2430.0000 -214.32966 -203.06014 11.26952 3.06376 -203.97048 1049.34143
2435.0000 -216.11110 -203.54772 12.56338 3.11830 -202.87524 1084.99169
2440.0000 -215.51015 -201.62687 13.88328 3.03588 -204.53049 1049.19569
2445.0000 -214.66288 -202.33857 12.32430 3.15594 -202.11921 1104.64719
2450.0000 -216.18245 -202.09094 14.09150 3.15703 -202.09736 1091.37655
2455.0000 -217.80267 -205.74694 12.05573 3.04993 -204.24834 1059.48664
2460.0000 -218.25978 -208.13502 10.12476 2.93114 -206.63399 946.80222
2465.0000 -216.70825 -205.19871 11.50954 2.91774 -206.90296 959.37676
2470.0000 -219.96609 -208.20346 11.76263 2.91680 -206.92196 964.47905
2475.0000 -218.49912 -207.73564 10.76348 2.89458 -207.36811 965.77697
2480.0000 -215.26455 -202.60177 12.66279 3.01443 -204.96117 1006.33016
2485.0000 -216.49316 -204.12024 12.37293 3.01202 -205.00962 1026.36777
2490.0000 -215.44808 -203.06649 12.38159 3.12236 -202.79362 1101.96900
2495.0000 -214.23665 -202.79215 11.44451 3.12634 -202.71366 1088.85700
2500.0000 -215.40549 -203.02567 12.37982 3.11071 -203.02765 1076.94476
FREEZING PROCESS: loop number 11 T-loop= 1013.0000000000000
main_MD> interactions number 11 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.02323 2.26980 2.00907
force_rgl> df(natom) 0.79470 1.37221 -3.40096
2505.0000 -214.46959 -204.00888 10.46071 3.09893 -203.26423 1053.76684
2510.0000 -216.56019 -206.31669 10.24350 3.03225 -204.60339 1003.80215
2515.0000 -220.08285 -209.80610 10.27676 2.89071 -207.44581 968.53777
2520.0000 -219.03346 -208.87692 10.15655 2.82258 -208.81411 927.04601
2525.0000 -216.82192 -206.53337 10.28855 2.86734 -207.91526 928.85195
2530.0000 -218.26295 -205.05155 13.21140 2.95948 -206.06485 976.86331
2535.0000 -217.44594 -203.74260 13.70333 2.96757 -205.90223 996.49078
2540.0000 -216.31135 -203.06535 13.24600 3.10883 -203.06535 1082.67393
2545.0000 -215.86596 -203.98483 11.88113 3.08554 -203.53312 1062.07897
2550.0000 -219.70420 -207.67020 12.03400 2.95639 -206.12683 960.06929
2555.0000 -219.51171 -208.06988 11.44183 2.84637 -208.33636 940.39558
2560.0000 -218.80631 -206.65230 12.15400 2.95491 -206.15659 996.15746
2565.0000 -217.95551 -206.26457 11.69093 2.94876 -206.28015 996.56031
2570.0000 -217.73615 -203.55057 14.18558 3.04230 -204.40154 1045.72141
2575.0000 -217.19930 -204.38918 12.81012 3.08180 -203.60817 1088.43532
2580.0000 -217.55137 -206.70908 10.84229 3.04368 -204.37375 1023.20196
2585.0000 -218.36394 -206.11469 12.24925 2.89958 -207.26771 952.31337
2590.0000 -216.33611 -204.31957 12.01654 3.00834 -205.08357 1022.69147
2595.0000 -218.36069 -206.68147 11.67922 3.05006 -204.24577 1035.37125
2600.0000 -217.63094 -204.46543 13.16551 3.00966 -205.05699 1036.54479
2605.0000 -216.88115 -204.15031 12.73085 3.05963 -204.05357 1043.00727
2610.0000 -216.62598 -205.23076 11.39522 3.01896 -204.87017 1028.71609
2615.0000 -218.24154 -207.16697 11.07457 2.97390 -205.77513 1000.27275
2620.0000 -217.64917 -206.44815 11.20102 2.98012 -205.65038 1024.00400
2625.0000 -219.45502 -208.54780 10.90722 2.90242 -207.21074 964.73632
2630.0000 -217.68125 -205.34089 12.34036 2.93335 -206.58951 994.33175
2635.0000 -215.31050 -204.83104 10.47945 3.00135 -205.22396 1005.60057
2640.0000 -215.91613 -203.64315 12.27298 3.07103 -203.82462 1060.72943
2645.0000 -218.93644 -207.01756 11.91887 2.96014 -206.05157 1024.45872
2650.0000 -217.40286 -206.76125 10.64161 2.87043 -207.85328 939.78545
2655.0000 -216.49912 -205.48078 11.01834 2.98535 -205.54531 1000.88295
2660.0000 -218.14196 -207.17994 10.96202 2.94255 -206.40489 999.66940
2665.0000 -214.18900 -202.80639 11.38261 2.96760 -205.90177 1002.70610
2670.0000 -215.56456 -201.51287 14.05169 3.10552 -203.13188 1064.64897
2675.0000 -217.04308 -206.63648 10.40661 3.10664 -203.10937 1100.20684
2680.0000 -216.77439 -206.66486 10.10953 2.90446 -207.16985 947.89682
2685.0000 -217.12277 -205.57816 11.54461 2.97556 -205.74196 1012.57999
2690.0000 -218.04405 -206.95458 11.08948 2.97258 -205.80175 1015.28462
2695.0000 -219.92839 -208.61745 11.31094 2.88028 -207.65542 951.60434
2700.0000 -217.28537 -206.81835 10.46701 2.88082 -207.64447 946.32399
2705.0000 -216.55623 -205.40314 11.15309 2.99627 -205.32585 1014.61732
2710.0000 -218.31697 -207.10870 11.20827 3.00786 -205.09317 1024.92693
2715.0000 -216.54503 -205.44064 11.10439 2.98359 -205.58064 1002.93848
2720.0000 -216.65987 -204.30977 12.35010 3.06706 -203.90430 1046.47597
2725.0000 -215.84004 -204.46349 11.37655 3.07813 -203.68188 1072.28801
2730.0000 -216.36946 -204.69907 11.67039 3.03708 -204.50634 1060.22226
2735.0000 -217.43566 -205.25901 12.17664 3.00524 -205.14574 1029.68997
2740.0000 -218.73952 -206.07078 12.66874 2.93849 -206.48631 1000.53314
2745.0000 -219.75973 -207.00158 12.75816 2.91869 -206.88402 972.77718
2750.0000 -215.93077 -202.62491 13.30586 3.04734 -204.30036 1049.47847
FREEZING PROCESS: loop number 12 T-loop= 988.00000000000000
main_MD> interactions number 12 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.56090 -0.85432 2.90752
force_rgl> df(natom) -3.26537 0.39291 0.51953
2755.0000 -218.29056 -205.39021 12.90034 3.02390 -204.77100 1012.54350
2760.0000 -220.30111 -208.88770 11.41341 2.89878 -207.28381 962.48154
2765.0000 -217.33074 -206.67313 10.65761 2.83979 -208.46853 896.15836
2770.0000 -217.73429 -206.95071 10.78358 2.90345 -207.19007 956.26506
2775.0000 -218.59495 -205.29216 13.30279 2.89504 -207.35891 964.84663
2780.0000 -216.69174 -205.42693 11.26481 3.01748 -204.90001 1016.63308
2785.0000 -216.79361 -205.43403 11.35958 2.97944 -205.66400 1020.67632
2790.0000 -216.32721 -206.17778 10.14943 2.98290 -205.59439 1019.10460
2795.0000 -217.79399 -205.19983 12.59416 2.91446 -206.96896 961.86016
2800.0000 -218.03884 -206.57937 11.45947 2.97757 -205.70159 1008.79088
2805.0000 -217.05450 -205.70081 11.35368 2.92956 -206.66560 992.58871
2810.0000 -219.08979 -207.22423 11.86556 2.94548 -206.34592 979.89968
2815.0000 -216.02952 -206.23662 9.79290 2.96391 -205.97577 988.93295
2820.0000 -216.35015 -206.15096 10.19919 2.94730 -206.30943 1010.42220
2825.0000 -217.25864 -205.20603 12.05261 2.97302 -205.79290 1001.92889
2830.0000 -217.71474 -204.48471 13.23003 2.95518 -206.15107 998.88025
2835.0000 -218.16730 -204.79003 13.37727 3.03957 -204.45626 1069.76014
2840.0000 -215.28476 -203.59206 11.69270 3.05652 -204.11595 1052.02608
2845.0000 -218.25806 -205.85158 12.40648 3.01694 -204.91078 1044.24915
2850.0000 -215.02628 -203.79883 11.22745 2.98869 -205.47820 996.00804
2855.0000 -218.50078 -208.45832 10.04247 2.93778 -206.50067 959.30328
2860.0000 -217.59390 -207.28254 10.31136 2.87231 -207.81550 921.39075
2865.0000 -218.50859 -208.69059 9.81800 2.84174 -208.42929 933.96659
2870.0000 -220.06082 -209.43272 10.62810 2.80417 -209.18379 904.08984
2875.0000 -218.36182 -206.86847 11.49335 2.86310 -208.00042 942.88049
2880.0000 -218.59734 -205.41454 13.18280 2.97137 -205.82609 1000.60500
2885.0000 -216.91436 -204.26095 12.65341 3.03944 -204.45897 1036.15871
2890.0000 -216.92765 -205.64511 11.28253 3.01666 -204.91642 1023.13117
2895.0000 -218.52540 -206.92109 11.60431 2.95944 -206.06555 1014.31631
2900.0000 -219.04133 -207.47662 11.56470 2.89589 -207.34184 965.13829
2905.0000 -216.59653 -203.95897 12.63756 2.98401 -205.57215 1010.94370
2910.0000 -216.90318 -207.01618 9.88700 2.97366 -205.77994 1011.07547
2915.0000 -216.77549 -204.10980 12.66569 2.94941 -206.26711 1003.19976
2920.0000 -218.89903 -206.82068 12.07835 2.96875 -205.87872 1021.40641
2925.0000 -219.25905 -209.00550 10.25355 2.87409 -207.77961 941.78016
2930.0000 -216.33553 -205.40125 10.93427 2.88803 -207.49982 948.76825
2935.0000 -216.24645 -203.95328 12.29317 2.99339 -205.38374 1023.29739
2940.0000 -217.96189 -205.87832 12.08357 3.04454 -204.35650 1053.84358
2945.0000 -218.79365 -208.76073 10.03292 2.91144 -207.02957 960.66490
2950.0000 -217.40038 -204.52573 12.87465 2.89835 -207.29247 960.46038
2955.0000 -219.57601 -208.58885 10.98716 2.92250 -206.80755 968.80162
2960.0000 -218.82562 -206.61261 12.21301 2.89216 -207.41687 975.47092
2965.0000 -216.85427 -204.28238 12.57189 3.02577 -204.73354 1017.30533
2970.0000 -215.46666 -204.59960 10.86705 3.09694 -203.30427 1086.54546
2975.0000 -218.09426 -205.06720 13.02706 3.01468 -204.95622 1062.61023
2980.0000 -215.21577 -204.25336 10.96241 3.01526 -204.94461 1037.88814
2985.0000 -219.74072 -207.67508 12.06564 2.94368 -206.38211 997.10839
2990.0000 -217.53404 -203.90948 13.62456 3.02006 -204.84826 1039.46524
2995.0000 -215.83371 -205.20145 10.63226 2.97070 -205.83950 994.37017
3000.0000 -216.33563 -205.27147 11.06416 2.93198 -206.61714 956.17124
FREEZING PROCESS: loop number 13 T-loop= 963.00000000000000
main_MD> interactions number 13 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72348 -0.78009 -1.64056
force_rgl> df(natom) 6.56736 -0.12524 0.16041
3005.0000 -219.34120 -210.35913 8.98207 2.86751 -207.91186 913.51877
3010.0000 -219.12766 -208.69582 10.43183 2.81234 -209.01991 889.92072
3015.0000 -217.63817 -206.99751 10.64066 2.87971 -207.66681 953.14984
3020.0000 -220.44069 -209.27649 11.16420 2.85105 -208.24238 938.49998
3025.0000 -217.81805 -205.16971 12.64834 2.88484 -207.56387 940.96513
3030.0000 -217.94924 -205.68207 12.26718 2.97537 -205.74568 1005.47735
3035.0000 -216.25214 -204.04810 12.20404 3.00989 -205.05244 1034.63039
3040.0000 -218.19523 -206.05157 12.14366 2.99855 -205.28012 1008.52725
3045.0000 -216.72246 -205.90658 10.81588 2.93558 -206.54470 1007.46899
3050.0000 -217.05467 -206.78496 10.26972 2.95480 -206.15870 977.29812
3055.0000 -220.62405 -209.20071 11.42333 2.86484 -207.96549 944.88811
3060.0000 -220.57443 -211.69361 8.88082 2.75213 -210.22901 869.67155
3065.0000 -222.00659 -212.30277 9.70382 2.66583 -211.96212 816.71700
3070.0000 -220.96646 -210.39236 10.57410 2.70904 -211.09447 857.71608
3075.0000 -220.52055 -209.48661 11.03393 2.75089 -210.25398 881.92596
3080.0000 -217.90548 -208.65085 9.25463 2.81748 -208.91666 938.99512
3085.0000 -218.13786 -207.20824 10.92962 2.89446 -207.37060 954.23823
3090.0000 -219.99319 -209.85536 10.13783 2.84716 -208.32050 936.89902
3095.0000 -218.08794 -206.50260 11.58533 2.82575 -208.75042 915.52649
3100.0000 -219.19298 -208.15982 11.03316 2.86668 -207.92846 974.81216
3105.0000 -217.63058 -206.42136 11.20922 2.91319 -206.99438 988.29920
3110.0000 -216.20856 -205.44599 10.76257 2.96691 -205.91562 1022.49299
3115.0000 -216.83591 -205.12318 11.71273 2.97768 -205.69933 994.49570
3120.0000 -219.42911 -206.81402 12.61509 2.97386 -205.77595 1012.30967
3125.0000 -218.71021 -207.52878 11.18143 2.90209 -207.21741 943.34544
3130.0000 -218.23833 -207.04972 11.18860 2.91201 -207.01810 967.60716
3135.0000 -219.99885 -209.65721 10.34165 2.85561 -208.15075 931.37488
3140.0000 -219.74559 -209.23044 10.51515 2.74012 -210.47025 872.83799
3145.0000 -217.84636 -206.07533 11.77103 2.90301 -207.19881 983.90860
3150.0000 -218.00391 -207.56049 10.44342 2.90367 -207.18562 956.19129
3155.0000 -218.40666 -205.85693 12.54973 2.88938 -207.47254 985.18729
3160.0000 -216.75750 -206.66581 10.09169 2.93430 -206.57055 1001.04500
3165.0000 -218.71760 -207.64264 11.07497 2.98925 -205.46687 1033.64762
3170.0000 -217.88430 -207.69892 10.18538 2.89832 -207.29309 958.97359
3175.0000 -219.35220 -208.42233 10.92987 2.82101 -208.84576 907.46253
3180.0000 -218.54058 -206.42807 12.11251 2.87867 -207.68761 958.11945
3185.0000 -219.18700 -206.84020 12.34680 2.91043 -207.04996 962.87232
3190.0000 -217.46007 -207.33628 10.12380 2.93655 -206.52524 983.95910
3195.0000 -218.83254 -207.23506 11.59748 2.94737 -206.30800 992.61859
3200.0000 -218.76598 -207.91163 10.85435 2.82409 -208.78387 928.14431
3205.0000 -217.71009 -206.48531 11.22478 2.91812 -206.89547 975.17308
3210.0000 -219.21367 -207.45780 11.75587 2.92972 -206.66241 976.57150
3215.0000 -217.68679 -205.20569 12.48111 2.96174 -206.01932 992.82752
3220.0000 -217.18969 -206.67786 10.51183 2.92658 -206.72555 953.66008
3225.0000 -218.13796 -204.83997 13.29799 2.92649 -206.72729 938.53246
3230.0000 -217.51494 -204.25257 13.26237 3.02638 -204.72116 1062.39100
3235.0000 -217.47773 -206.46612 11.01161 2.98755 -205.50109 986.62339
3240.0000 -217.17596 -206.27048 10.90548 2.91690 -206.91999 956.63129
3245.0000 -218.66884 -207.05763 11.61121 2.94279 -206.39997 993.55769
3250.0000 -219.50330 -207.00843 12.49488 2.85418 -208.17945 919.51509
FREEZING PROCESS: loop number 14 T-loop= 938.00000000000000
main_MD> interactions number 14 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10363 -2.42919 -4.68498
force_rgl> df(natom) -0.11810 3.16415 -0.98909
3255.0000 -219.06019 -207.99934 11.06085 2.89477 -207.36447 976.94544
3260.0000 -218.01471 -207.87935 10.13536 2.87834 -207.69430 916.58909
3265.0000 -217.14362 -205.24435 11.89927 2.95247 -206.20563 990.05076
3270.0000 -217.21996 -206.87574 10.34422 2.92986 -206.65964 950.29110
3275.0000 -217.25377 -205.38536 11.86841 2.95875 -206.07937 984.88933
3280.0000 -217.19486 -205.45123 11.74363 2.95472 -206.16033 1021.55515
3285.0000 -218.01292 -204.30853 13.70439 2.96338 -205.98655 960.74577
3290.0000 -217.88406 -206.35905 11.52502 2.94013 -206.45332 986.79302
3295.0000 -217.17870 -207.52360 9.65510 2.91197 -207.01890 966.35359
3300.0000 -217.04019 -205.72440 11.31579 2.95503 -206.15421 1003.68366
3305.0000 -218.30612 -205.65476 12.65136 2.98040 -205.64459 1022.69638
3310.0000 -217.43403 -206.54571 10.88832 2.98689 -205.51431 994.94916
3315.0000 -217.84387 -205.99066 11.85322 2.94529 -206.34982 994.54128
3320.0000 -218.77383 -207.13287 11.64096 2.93608 -206.53480 1014.38364
3325.0000 -218.88812 -207.45426 11.43386 2.93171 -206.62258 1008.13516
3330.0000 -219.37899 -206.56321 12.81578 2.98903 -205.47141 1018.60037
3335.0000 -218.74634 -207.85771 10.88863 2.93990 -206.45811 999.61778
3340.0000 -220.33445 -208.80484 11.52961 2.83458 -208.57312 933.54466
3345.0000 -219.69497 -209.27070 10.42427 2.79389 -209.39028 902.68271
3350.0000 -219.29246 -207.83173 11.46072 2.86842 -207.89356 932.31510
3355.0000 -217.59773 -205.84136 11.75637 2.88555 -207.54950 952.79663
3360.0000 -218.66158 -208.40148 10.26010 2.86132 -208.03610 928.75716
3365.0000 -219.56209 -209.03295 10.52914 2.87442 -207.77297 928.14388
3370.0000 -219.26187 -208.60926 10.65261 2.81213 -209.02393 908.69150
3375.0000 -219.89459 -209.46030 10.43430 2.74339 -210.40456 855.93971
3380.0000 -217.32681 -206.32513 11.00168 2.89072 -207.44562 944.08760
3385.0000 -218.37852 -207.84265 10.53587 2.91396 -206.97888 941.79130
3390.0000 -217.23461 -204.48348 12.75114 2.92612 -206.73476 960.62823
3395.0000 -219.50852 -207.32169 12.18683 2.99244 -205.40277 1003.24605
3400.0000 -218.85186 -207.43132 11.42054 2.88031 -207.65467 932.71004
3405.0000 -218.16502 -207.51694 10.64808 2.89805 -207.29848 959.27288
3410.0000 -221.53573 -210.69788 10.83785 2.83501 -208.56454 926.43175
3415.0000 -218.34821 -206.52457 11.82364 2.84531 -208.35768 934.33662
3420.0000 -216.02354 -205.23614 10.78740 2.96695 -205.91478 1002.60211
3425.0000 -218.42529 -207.13163 11.29367 2.92382 -206.78103 995.64425
3430.0000 -219.53300 -209.11124 10.42176 2.89381 -207.38356 937.70264
3435.0000 -218.79919 -208.81305 9.98613 2.80979 -209.07110 907.96158
3440.0000 -219.61747 -208.37466 11.24281 2.86187 -208.02512 968.37244
3445.0000 -220.21180 -210.49337 9.71843 2.86318 -207.99879 934.93131
3450.0000 -221.01678 -210.93146 10.08531 2.75666 -210.13805 888.30009
3455.0000 -219.96599 -209.81184 10.15416 2.73898 -210.49311 873.41495
3460.0000 -218.92694 -208.84102 10.08593 2.81579 -208.95046 901.40221
3465.0000 -219.33672 -208.64157 10.69515 2.83089 -208.64729 930.47074
3470.0000 -220.23420 -210.39834 9.83586 2.81507 -208.96496 928.56823
3475.0000 -219.05860 -209.90205 9.15655 2.79576 -209.35279 894.12563
3480.0000 -220.72768 -210.41943 10.30826 2.78002 -209.66891 877.40753
3485.0000 -219.24281 -206.52618 12.71663 2.88556 -207.54937 954.25809
3490.0000 -218.38030 -207.72064 10.65966 2.93798 -206.49668 989.65728
3495.0000 -221.59459 -209.50700 12.08758 2.77110 -209.84802 871.06148
3500.0000 -219.70298 -209.21075 10.49223 2.84235 -208.41716 947.24444
FREEZING PROCESS: loop number 15 T-loop= 913.00000000000000
main_MD> interactions number 15 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.74609 -1.10355 2.30577
force_rgl> df(natom) -0.21348 0.85521 4.05137
3505.0000 -218.51311 -208.18192 10.33119 2.83572 -208.55017 919.21992
3510.0000 -219.14711 -208.13989 11.00722 2.86750 -207.91209 930.96415
3515.0000 -217.17717 -207.21135 9.96582 2.86916 -207.87870 921.97321
3520.0000 -219.00968 -207.92513 11.08455 2.87656 -207.73004 943.65455
3525.0000 -218.33810 -208.52127 9.81683 2.84963 -208.27092 933.26668
3530.0000 -219.12725 -208.57941 10.54784 2.80938 -209.07931 901.45192
3535.0000 -220.42533 -208.81225 11.61308 2.84798 -208.30405 939.14992
3540.0000 -220.46791 -208.69334 11.77457 2.84254 -208.41324 922.82841
3545.0000 -219.76737 -207.99949 11.76788 2.83619 -208.54089 912.40657
3550.0000 -218.66176 -209.12269 9.53907 2.85031 -208.25719 927.31926
3555.0000 -218.92433 -207.93116 10.99317 2.83569 -208.55092 923.81893
3560.0000 -217.95602 -206.90124 11.05478 2.87103 -207.84105 935.34713
3565.0000 -220.79763 -210.11529 10.68234 2.85611 -208.14081 926.20553
3570.0000 -220.57022 -210.92655 9.64366 2.75390 -210.19336 859.19566
3575.0000 -220.05457 -208.94685 11.10771 2.81079 -209.05085 897.45523
3580.0000 -219.38366 -208.77721 10.60645 2.85116 -208.24022 940.51131
3585.0000 -220.84082 -210.29583 10.54498 2.80363 -209.19471 887.46349
3590.0000 -221.29419 -211.30284 9.99135 2.73057 -210.66208 873.07557
3595.0000 -219.49131 -209.35803 10.13328 2.73613 -210.55025 875.00279
3600.0000 -220.83166 -210.89853 9.93313 2.77023 -209.86542 893.86983
3605.0000 -220.98280 -210.14385 10.83895 2.74673 -210.33738 855.57940
3610.0000 -219.36764 -208.91312 10.45453 2.77012 -209.86775 855.81126
3615.0000 -219.05202 -207.85146 11.20055 2.82265 -208.81276 897.86150
3620.0000 -219.61784 -208.76922 10.84862 2.84131 -208.43806 916.04442
3625.0000 -220.30376 -210.37876 9.92500 2.72311 -210.81173 862.14744
3630.0000 -220.74538 -211.74274 9.00264 2.71018 -211.07146 884.26959
3635.0000 -220.06900 -208.67456 11.39444 2.76904 -209.88950 889.33268
3640.0000 -215.92757 -205.88445 10.04312 2.83639 -208.53691 905.29777
3645.0000 -217.18492 -207.14164 10.04328 2.93845 -206.48723 970.58828
3650.0000 -218.12205 -207.17548 10.94657 2.87053 -207.85128 913.66748
3655.0000 -220.09015 -208.08303 12.00712 2.91881 -206.88151 959.82410
3660.0000 -220.01739 -208.71018 11.30721 2.84074 -208.44943 909.58977
3665.0000 -221.24844 -209.57831 11.67013 2.86881 -207.88570 946.87285
3670.0000 -220.48672 -210.37685 10.10988 2.78543 -209.56019 897.92140
3675.0000 -219.82334 -209.98895 9.83440 2.72009 -210.87242 852.94999
3680.0000 -217.97895 -207.32154 10.65741 2.84826 -208.29849 934.20782
3685.0000 -220.03650 -209.22088 10.81563 2.91031 -207.05227 954.07063
3690.0000 -218.99615 -209.90845 9.08770 2.77297 -209.81057 886.63966
3695.0000 -219.40301 -207.90315 11.49986 2.77571 -209.75545 897.70749
3700.0000 -219.22867 -209.21499 10.01368 2.83501 -208.56462 912.31786
3705.0000 -219.01219 -209.29546 9.71673 2.78257 -209.61764 861.31477
3710.0000 -219.80937 -208.80878 11.00059 2.80490 -209.16920 887.46021
3715.0000 -219.26142 -209.17444 10.08698 2.77562 -209.75724 905.63826
3720.0000 -219.74842 -207.41459 12.33383 2.85617 -208.13959 937.01031
3725.0000 -220.82077 -210.52030 10.30048 2.83566 -208.55143 939.02256
3730.0000 -220.74336 -210.45298 10.29038 2.76299 -210.01091 871.80609
3735.0000 -219.91701 -209.30209 10.61492 2.72024 -210.86943 875.13212
3740.0000 -217.90006 -207.59544 10.30462 2.86306 -208.00123 943.18591
3745.0000 -218.30078 -208.20991 10.09087 2.87680 -207.72533 959.54043
3750.0000 -220.35858 -208.64853 11.71005 2.81447 -208.97701 904.10934
FREEZING PROCESS: loop number 16 T-loop= 888.00000000000000
main_MD> interactions number 16 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57855 -1.50885 0.09882
force_rgl> df(natom) 0.91745 1.94165 1.97961
3755.0000 -220.11707 -206.93825 13.17882 2.84785 -208.30664 913.74498
3760.0000 -219.18718 -208.38978 10.79740 2.87572 -207.74701 964.49108
3765.0000 -220.28596 -209.29398 10.99198 2.76859 -209.89840 881.47113
3770.0000 -219.48173 -209.04306 10.43867 2.79636 -209.34067 888.39945
3775.0000 -218.25972 -209.34946 8.91027 2.78603 -209.54822 917.82145
3780.0000 -221.47243 -210.67725 10.79517 2.75297 -210.21216 886.56988
3785.0000 -219.71412 -210.11851 9.59561 2.73390 -210.59516 854.88922
3790.0000 -218.11891 -207.64414 10.47477 2.78161 -209.63703 869.58170
3795.0000 -219.72581 -208.86252 10.86328 2.86699 -207.92224 930.63322
3800.0000 -218.14083 -205.82878 12.31204 2.84165 -208.43111 918.62910
3805.0000 -220.78823 -208.02722 12.76102 2.92101 -206.83737 968.01341
3810.0000 -219.89863 -208.34194 11.55670 2.83260 -208.61301 939.84945
3815.0000 -217.90619 -207.15877 10.74742 2.91763 -206.90521 990.50960
3820.0000 -220.62795 -210.24146 10.38649 2.82205 -208.82483 909.44102
3825.0000 -218.33783 -207.87492 10.46291 2.79900 -209.28778 915.38258
3830.0000 -219.46485 -209.10704 10.35781 2.80051 -209.25739 912.46231
3835.0000 -218.58478 -208.07350 10.51128 2.82705 -208.72442 898.11269
3840.0000 -219.82949 -208.48060 11.34890 2.82237 -208.81836 894.39335
3845.0000 -221.73881 -210.73492 11.00389 2.78439 -209.58105 868.50751
3850.0000 -220.62241 -210.24750 10.37491 2.79132 -209.44187 904.79963
3855.0000 -218.34662 -208.44990 9.89672 2.80414 -209.18452 906.47862
3860.0000 -219.48070 -208.18186 11.29884 2.85271 -208.20903 914.87306
3865.0000 -219.55330 -208.73718 10.81612 2.81833 -208.89945 914.25478
3870.0000 -220.11528 -209.04832 11.06696 2.77464 -209.77691 882.91464
3875.0000 -217.24163 -206.91276 10.32887 2.88587 -207.54302 966.87869
3880.0000 -219.28709 -209.76918 9.51791 2.84104 -208.44348 942.56064
3885.0000 -219.90049 -210.83028 9.07021 2.72616 -210.75055 862.10625
3890.0000 -218.98721 -208.59841 10.38880 2.79605 -209.34704 910.65405
3895.0000 -218.13978 -207.72352 10.41627 2.84028 -208.45874 912.28751
3900.0000 -221.55236 -209.52255 12.02981 2.80181 -209.23132 897.17170
3905.0000 -221.14735 -210.50493 10.64243 2.74416 -210.38906 862.80240
3910.0000 -218.63117 -208.30066 10.33051 2.77097 -209.85062 888.08411
3915.0000 -218.78878 -208.54559 10.24318 2.85980 -208.06675 951.02504
3920.0000 -218.72793 -208.16262 10.56531 2.88493 -207.56194 946.55452
3925.0000 -218.98687 -207.99086 10.99601 2.88239 -207.61296 956.59039
3930.0000 -220.08801 -208.06972 12.01828 2.81793 -208.90753 888.90287
3935.0000 -217.77839 -207.65268 10.12571 2.86531 -207.95602 940.22370
3940.0000 -217.83791 -208.12907 9.70883 2.93039 -206.64891 952.35435
3945.0000 -220.56985 -207.62426 12.94559 2.84112 -208.44184 908.69710
3950.0000 -220.25829 -209.05301 11.20529 2.81717 -208.92284 906.63551
3955.0000 -220.47326 -210.07133 10.40193 2.75402 -210.19101 875.41226
3960.0000 -220.61949 -210.70918 9.91031 2.74779 -210.31607 868.58907
3965.0000 -219.18461 -207.83214 11.35247 2.84748 -208.31417 908.20890
3970.0000 -218.46682 -208.75568 9.71114 2.81220 -209.02266 893.43589
3975.0000 -217.50072 -205.68783 11.81290 2.88776 -207.50522 946.06150
3980.0000 -219.65851 -207.31406 12.34445 2.93800 -206.49623 994.96456
3985.0000 -219.30958 -208.32812 10.98146 2.84869 -208.28977 924.90526
3990.0000 -221.68959 -209.83003 11.85956 2.84834 -208.29675 931.81506
3995.0000 -218.64195 -208.71982 9.92213 2.82631 -208.73915 922.87504
4000.0000 -220.20916 -210.12175 10.08741 2.81251 -209.01642 904.04278
FREEZING PROCESS: loop number 17 T-loop= 863.00000000000000
main_MD> interactions number 17 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10193 -0.43184 1.23808
force_rgl> df(natom) -1.26411 -1.00978 2.57027
4005.0000 -220.10736 -209.65167 10.45569 2.75099 -210.25190 870.07474
4010.0000 -219.81447 -210.09819 9.71628 2.74895 -210.29290 869.17101
4015.0000 -222.68008 -213.09162 9.58846 2.68610 -211.55506 823.12574
4020.0000 -221.76920 -212.62301 9.14619 2.57936 -213.69864 769.77373
4025.0000 -222.27336 -213.39926 8.87410 2.57103 -213.86613 748.11524
4030.0000 -221.84845 -212.34992 9.49853 2.64712 -212.33784 820.46173
4035.0000 -219.47553 -210.56589 8.90964 2.66859 -211.90668 797.88209
4040.0000 -220.81365 -210.79182 10.02183 2.74196 -210.43334 869.00101
4045.0000 -221.43815 -211.89520 9.54294 2.69915 -211.29292 824.47605
4050.0000 -222.46040 -213.82429 8.63611 2.60897 -213.10415 801.12002
4055.0000 -220.61478 -210.87212 9.74267 2.68507 -211.57585 853.01148
4060.0000 -220.72877 -211.59611 9.13266 2.71914 -210.89155 848.04149
4065.0000 -220.03527 -209.88612 10.14915 2.73524 -210.56828 838.82819
4070.0000 -218.66109 -208.84101 9.82008 2.80122 -209.24309 858.13055
4075.0000 -219.94325 -209.53928 10.40396 2.83181 -208.62878 901.64181
4080.0000 -219.36046 -209.58139 9.77907 2.78128 -209.64349 893.71032
4085.0000 -220.52595 -209.57878 10.94716 2.74609 -210.35039 850.47295
4090.0000 -218.60459 -208.48606 10.11852 2.80695 -209.12805 927.07608
4095.0000 -218.33215 -208.92560 9.40655 2.73091 -210.65525 844.02400
4100.0000 -220.53153 -210.87778 9.65375 2.76478 -209.97489 886.56520
4105.0000 -219.96360 -208.08179 11.88181 2.80296 -209.20815 883.15749
4110.0000 -220.48785 -210.39449 10.09336 2.81203 -209.02595 904.39303
4115.0000 -219.83724 -209.71219 10.12504 2.77840 -209.70147 867.57393
4120.0000 -217.52048 -207.45403 10.06645 2.82186 -208.82872 898.14733
4125.0000 -220.65763 -209.95564 10.70199 2.86741 -207.91384 955.52012
4130.0000 -220.82132 -210.48156 10.33976 2.76269 -210.01689 904.92329
4135.0000 -217.38597 -207.14015 10.24582 2.82240 -208.81786 924.79316
4140.0000 -220.37054 -210.74078 9.62976 2.82193 -208.82723 912.77026
4145.0000 -221.76217 -211.39605 10.36611 2.73404 -210.59232 872.61591
4150.0000 -221.07585 -211.32213 9.75372 2.71058 -211.06345 846.26507
4155.0000 -221.13913 -211.35945 9.77968 2.66605 -211.95769 820.95749
4160.0000 -218.54729 -208.58857 9.95871 2.77214 -209.82723 867.59286
4165.0000 -219.41448 -209.96045 9.45403 2.83096 -208.64582 906.08055
4170.0000 -219.66086 -209.24327 10.41759 2.77688 -209.73200 901.88886
4175.0000 -219.28077 -208.64067 10.64011 2.83657 -208.53324 914.11235
4180.0000 -220.50880 -210.08914 10.41966 2.82739 -208.71746 924.86893
4185.0000 -217.32835 -207.55836 9.76999 2.84695 -208.32482 908.44875
4190.0000 -218.96497 -208.94292 10.02206 2.84099 -208.44450 931.89253
4195.0000 -218.52949 -207.95690 10.57259 2.83356 -208.59372 915.80724
4200.0000 -220.49702 -210.15983 10.33719 2.79036 -209.46117 883.25477
4205.0000 -220.06474 -209.76815 10.29660 2.78242 -209.62061 917.26468
4210.0000 -220.02906 -209.88664 10.14242 2.78581 -209.55271 891.28627
4215.0000 -220.46134 -209.42185 11.03949 2.73700 -210.53292 857.99661
4220.0000 -222.13976 -211.47110 10.66866 2.73012 -210.67112 855.67483
4225.0000 -221.47948 -210.16837 11.31111 2.72255 -210.82311 853.79173
4230.0000 -219.81390 -209.97662 9.83728 2.78835 -209.50164 897.42549
4235.0000 -220.10097 -208.35609 11.74488 2.80254 -209.21664 917.13287
4240.0000 -219.10887 -209.23499 9.87387 2.85051 -208.25322 925.35908
4245.0000 -219.73537 -210.63149 9.10388 2.76724 -209.92552 859.78901
4250.0000 -219.75844 -209.71804 10.04040 2.77584 -209.75289 880.24441
FREEZING PROCESS: loop number 18 T-loop= 838.00000000000000
main_MD> interactions number 18 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.96045 -0.40710 0.21207
force_rgl> df(natom) 4.81056 0.68825 1.44986
4255.0000 -221.06678 -211.53447 9.53231 2.73616 -210.54982 849.35544
4260.0000 -219.60863 -210.18226 9.42638 2.70701 -211.13521 816.66270
4265.0000 -218.72210 -207.99196 10.73015 2.80217 -209.22414 900.46376
4270.0000 -221.32703 -210.00294 11.32409 2.75736 -210.12406 891.57803
4275.0000 -220.95076 -210.10467 10.84609 2.75477 -210.17606 884.07813
4280.0000 -220.54464 -210.85557 9.68907 2.70732 -211.12902 845.40066
4285.0000 -220.12950 -210.59744 9.53206 2.69820 -211.31215 817.35413
4290.0000 -221.58746 -211.65136 9.93610 2.67615 -211.75494 810.53584
4295.0000 -221.06780 -211.18652 9.88128 2.68507 -211.57582 826.29229
4300.0000 -220.70811 -211.46521 9.24290 2.70859 -211.10350 851.94736
4305.0000 -221.01944 -211.50365 9.51578 2.67473 -211.78351 819.37665
4310.0000 -221.74164 -211.13150 10.61014 2.75276 -210.21640 871.95198
4315.0000 -221.39356 -212.97305 8.42051 2.72710 -210.73163 867.68139
4320.0000 -221.64505 -211.08573 10.55933 2.68148 -211.64796 812.09247
4325.0000 -221.15628 -211.50971 9.64657 2.70971 -211.08097 849.06907
4330.0000 -219.98268 -210.94289 9.03979 2.69666 -211.34291 846.67690
4335.0000 -221.31428 -210.51984 10.79443 2.71085 -211.05811 843.16319
4340.0000 -222.00171 -210.77869 11.22302 2.74743 -210.32341 867.05129
4345.0000 -220.87378 -210.80332 10.07045 2.71861 -210.90215 859.63893
4350.0000 -221.41835 -210.90446 10.51389 2.70199 -211.23590 847.01744
4355.0000 -222.25183 -211.63164 10.62019 2.70436 -211.18832 857.06031
4360.0000 -221.54718 -211.40704 10.14014 2.65906 -212.09817 814.70394
4365.0000 -221.69775 -212.60931 9.08844 2.67531 -211.77182 818.09879
4370.0000 -219.87781 -212.10641 7.77139 2.61924 -212.89781 807.24168
4375.0000 -222.33473 -212.46005 9.87468 2.65576 -212.16431 802.13456
4380.0000 -222.50050 -213.74763 8.75287 2.62428 -212.79670 816.77176
4385.0000 -221.21753 -212.53149 8.68604 2.56626 -213.96181 753.29816
4390.0000 -221.95064 -212.44229 9.50835 2.60345 -213.21492 779.04077
4395.0000 -221.38059 -211.67437 9.70622 2.65215 -212.23700 821.76545
4400.0000 -222.00452 -212.53886 9.46566 2.66951 -211.88836 797.38595
4405.0000 -221.88556 -211.87700 10.00856 2.66621 -211.95446 831.18207
4410.0000 -222.09597 -213.44759 8.64838 2.61628 -212.95731 806.46465
4415.0000 -221.16087 -211.08010 10.08077 2.62250 -212.83244 786.96964
4420.0000 -220.39838 -211.60553 8.79285 2.67615 -211.75484 810.03579
4425.0000 -221.03074 -211.68195 9.34879 2.71048 -211.06540 847.80998
4430.0000 -220.78273 -211.24353 9.53920 2.71014 -211.07225 863.75007
4435.0000 -221.03966 -211.42709 9.61257 2.68201 -211.63727 827.12363
4440.0000 -222.44335 -213.30650 9.13686 2.65073 -212.26540 801.58674
4445.0000 -221.77245 -213.14779 8.62467 2.60196 -213.24481 779.53805
4450.0000 -221.86600 -212.41159 9.45441 2.64608 -212.35878 799.54914
4455.0000 -221.87909 -211.98333 9.89575 2.64646 -212.35108 797.67958
4460.0000 -220.15100 -210.56394 9.58706 2.68603 -211.55647 822.37693
4465.0000 -218.95909 -209.32667 9.63241 2.74685 -210.33497 862.59220
4470.0000 -221.64788 -212.04220 9.60568 2.73266 -210.62000 867.33833
4475.0000 -221.51274 -211.87438 9.63836 2.65317 -212.21647 818.48659
4480.0000 -222.45390 -211.96529 10.48861 2.66450 -211.98893 821.24964
4485.0000 -220.44413 -211.37731 9.06682 2.65447 -212.19034 785.00341
4490.0000 -221.03285 -211.31965 9.71320 2.69958 -211.28441 858.32568
4495.0000 -221.86330 -211.49311 10.37019 2.71950 -210.88426 860.12502
4500.0000 -222.25861 -213.84006 8.41855 2.63146 -212.65242 817.18133
FREEZING PROCESS: loop number 19 T-loop= 813.00000000000000
main_MD> interactions number 19 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58153 2.50999 1.12431
force_rgl> df(natom) -0.66134 -0.09758 -1.04835
4505.0000 -221.06470 -211.67147 9.39323 2.69143 -211.44804 848.99529
4510.0000 -221.98138 -211.74056 10.24082 2.69289 -211.41870 846.81011
4515.0000 -221.08113 -210.90896 10.17217 2.70379 -211.19983 837.46541
4520.0000 -221.88193 -212.90716 8.97477 2.69972 -211.28155 844.46743
4525.0000 -220.41131 -211.39918 9.01213 2.65753 -212.12892 805.64159
4530.0000 -221.62896 -212.12275 9.50620 2.69519 -211.37257 813.27663
4535.0000 -220.68472 -210.80047 9.88425 2.68241 -211.62929 831.45738
4540.0000 -221.33453 -211.17455 10.15998 2.74460 -210.38023 862.91946
4545.0000 -221.52562 -211.41247 10.11314 2.70634 -211.14864 826.76823
4550.0000 -221.98734 -212.76442 9.22293 2.69557 -211.36488 823.16080
4555.0000 -221.75258 -212.92976 8.82282 2.65646 -212.15035 831.09370
4560.0000 -221.46369 -212.27257 9.19112 2.62582 -212.76568 798.95329
4565.0000 -220.43815 -211.17187 9.26628 2.67942 -211.68925 824.97190
4570.0000 -221.40792 -212.67843 8.72948 2.70791 -211.11703 847.18078
4575.0000 -222.11058 -212.51654 9.59403 2.63700 -212.54110 798.01953
4580.0000 -222.01514 -212.31961 9.69554 2.67957 -211.68624 834.32098
4585.0000 -220.80462 -211.64907 9.15555 2.68063 -211.66496 830.31282
4590.0000 -223.39105 -211.78110 11.60995 2.72335 -210.80705 849.43806
4595.0000 -222.85405 -213.44370 9.41035 2.63050 -212.67179 793.28676
4600.0000 -221.18532 -212.52325 8.66207 2.66669 -211.94490 813.82647
4605.0000 -221.71479 -210.60637 11.10842 2.67356 -211.80699 838.38639
4610.0000 -222.04648 -211.85169 10.19479 2.69891 -211.29776 823.40997
4615.0000 -222.90346 -213.28572 9.61775 2.65678 -212.14393 824.00375
4620.0000 -221.04673 -211.47647 9.57026 2.67190 -211.84028 833.94594
4625.0000 -222.08927 -212.76454 9.32473 2.64740 -212.33231 827.81128
4630.0000 -220.25122 -210.86535 9.38587 2.65898 -212.09967 805.15179
4635.0000 -219.45015 -210.09507 9.35508 2.73758 -210.52114 830.47571
4640.0000 -220.13292 -210.90570 9.22722 2.76609 -209.94859 871.09409
4645.0000 -222.91260 -213.67284 9.23976 2.63662 -212.54879 785.96027
4650.0000 -224.09990 -216.10584 7.99406 2.53123 -214.66536 751.81837
4655.0000 -222.49479 -213.40754 9.08725 2.48536 -215.58656 707.65444
4660.0000 -221.63404 -213.26924 8.36481 2.60194 -213.24528 774.40341
4665.0000 -221.94652 -213.46478 8.48173 2.54861 -214.31636 735.10619
4670.0000 -222.91031 -213.39741 9.51291 2.57152 -213.85627 770.02327
4675.0000 -222.05092 -213.29238 8.75855 2.60645 -213.15474 782.80189
4680.0000 -222.41381 -212.84900 9.56480 2.59294 -213.42596 775.80192
4685.0000 -221.28027 -211.01861 10.26166 2.62023 -212.87801 785.90238
4690.0000 -222.39260 -212.89125 9.50135 2.65730 -212.13353 837.14867
4695.0000 -220.74100 -211.95192 8.78908 2.61334 -213.01622 781.28357
4700.0000 -222.25142 -211.84092 10.41049 2.63805 -212.52001 790.74259
4705.0000 -222.30548 -212.37404 9.93145 2.66145 -212.05004 803.16163
4710.0000 -221.49485 -213.43482 8.06004 2.58655 -213.55426 763.33441
4715.0000 -221.45846 -212.58854 8.86992 2.63286 -212.62421 785.26438
4720.0000 -222.19351 -211.60762 10.58589 2.68349 -211.60748 811.45898
4725.0000 -220.99228 -211.51258 9.47970 2.69665 -211.34328 849.40981
4730.0000 -221.74221 -210.87178 10.87043 2.68734 -211.53026 805.71094
4735.0000 -220.26703 -209.29500 10.97203 2.76555 -209.95941 873.03422
4740.0000 -219.73850 -209.38344 10.35506 2.81663 -208.93363 907.66248
4745.0000 -220.54853 -212.15456 8.39397 2.73846 -210.50347 856.99643
4750.0000 -219.70922 -209.88319 9.82603 2.71435 -210.98777 845.40552
FREEZING PROCESS: loop number 20 T-loop= 788.00000000000000
main_MD> interactions number 20 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43225 -0.16929 0.75248
force_rgl> df(natom) 1.35891 4.75733 -1.87294
4755.0000 -221.08295 -213.04145 8.04151 2.64669 -212.34646 784.16436
4760.0000 -222.22341 -213.91406 8.30935 2.60093 -213.26562 786.60655
4765.0000 -222.23575 -213.52442 8.71133 2.59049 -213.47524 769.30018
4770.0000 -222.61774 -214.33589 8.28185 2.64617 -212.35691 799.74088
4775.0000 -222.52058 -214.21155 8.30903 2.53438 -214.60198 718.36811
4780.0000 -221.78235 -213.45627 8.32608 2.58207 -213.64441 772.49397
4785.0000 -220.19833 -211.46778 8.73055 2.62563 -212.76947 753.31647
4790.0000 -222.10008 -212.32714 9.77294 2.65518 -212.17598 812.87677
4795.0000 -220.91353 -212.01908 8.89444 2.67809 -211.71586 838.15047
4800.0000 -221.02145 -212.03656 8.98489 2.71184 -211.03809 841.90408
4805.0000 -222.52566 -212.01963 10.50603 2.66632 -211.95229 786.75562
4810.0000 -223.10148 -214.68079 8.42069 2.56544 -213.97834 769.80315
4815.0000 -222.35629 -214.63252 7.72377 2.54087 -214.47174 746.00226
4820.0000 -223.14167 -213.90457 9.23710 2.58364 -213.61283 758.49083
4825.0000 -223.09676 -213.56153 9.53523 2.53823 -214.52480 745.49334
4830.0000 -223.71317 -214.47690 9.23626 2.60012 -213.28186 800.20770
4835.0000 -223.29567 -214.06239 9.23328 2.54382 -214.41248 738.93488
4840.0000 -223.72161 -214.87436 8.84724 2.53521 -214.58546 736.55243
4845.0000 -223.61586 -216.09972 7.51614 2.48840 -215.52552 711.73788
4850.0000 -222.79170 -215.07047 7.72123 2.46247 -216.04617 685.59194
4855.0000 -221.61066 -213.09236 8.51830 2.60105 -213.26311 766.00136
4860.0000 -221.96188 -211.99909 9.96279 2.59280 -213.42892 760.90194
4865.0000 -223.23751 -214.06483 9.17268 2.62434 -212.79548 777.07973
4870.0000 -221.68164 -212.07591 9.60573 2.62557 -212.77069 808.87819
4875.0000 -221.78879 -212.28420 9.50459 2.65836 -212.11220 823.83990
4880.0000 -220.34446 -210.52791 9.81656 2.66525 -211.97387 817.04459
4885.0000 -220.83331 -212.04991 8.78340 2.75399 -210.19155 875.69037
4890.0000 -221.62177 -212.90612 8.71565 2.66374 -212.00414 827.75155
4895.0000 -224.63928 -214.31425 10.32503 2.54899 -214.30862 753.02504
4900.0000 -223.23706 -214.62393 8.61313 2.53975 -214.49424 740.76527
4905.0000 -223.91199 -215.40947 8.50252 2.46049 -216.08594 685.26412
4910.0000 -222.40946 -213.94909 8.46037 2.59740 -213.33647 794.25963
4915.0000 -224.64944 -214.97151 9.67793 2.53734 -214.54254 752.55944
4920.0000 -222.90492 -214.12440 8.78051 2.53476 -214.59453 738.20897
4925.0000 -223.00054 -212.62483 10.37572 2.60142 -213.25568 777.80998
4930.0000 -221.93340 -212.85683 9.07657 2.61901 -212.90239 790.04069
4935.0000 -220.79462 -211.61905 9.17557 2.66000 -212.07930 816.96111
4940.0000 -221.36455 -212.03356 9.33099 2.68752 -211.52665 848.45620
4945.0000 -221.45531 -211.53519 9.92012 2.66946 -211.88927 849.89739
4950.0000 -222.09871 -212.85195 9.24676 2.63527 -212.57588 787.87627
4955.0000 -222.55539 -214.42392 8.13147 2.60467 -213.19044 758.13787
4960.0000 -222.26803 -213.16098 9.10705 2.56543 -213.97850 734.36271
4965.0000 -220.92343 -211.84603 9.07740 2.64919 -212.29628 796.97733
4970.0000 -222.15903 -214.24105 7.91797 2.59856 -213.31314 750.91034
4975.0000 -221.94547 -212.59563 9.34984 2.57040 -213.87860 756.15244
4980.0000 -222.78000 -214.25891 8.52110 2.61356 -213.01194 774.60960
4985.0000 -221.02849 -212.40100 8.62748 2.55363 -214.21543 736.32005
4990.0000 -220.83823 -212.24499 8.59324 2.68022 -211.67315 796.62779
4995.0000 -221.66785 -213.45233 8.21553 2.66884 -211.90173 823.24749
5000.0000 -222.13683 -212.18384 9.95298 2.64192 -212.44229 774.84135
FREEZING PROCESS: loop number 21 T-loop= 763.00000000000000
main_MD> interactions number 21 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12316 -2.11205 0.36164
force_rgl> df(natom) -2.10381 -0.30465 -0.63156
5005.0000 -222.29799 -211.76786 10.53013 2.64711 -212.33811 792.83128
5010.0000 -222.64351 -213.44431 9.19920 2.62790 -212.72386 801.76422
5015.0000 -223.02797 -215.31731 7.71066 2.48955 -215.50236 695.74958
5020.0000 -222.87038 -214.39410 8.47628 2.53389 -214.61200 736.55523
5025.0000 -223.83606 -215.94264 7.89342 2.54575 -214.37364 750.71486
5030.0000 -222.33494 -213.94907 8.38587 2.53016 -214.68683 729.38060
5035.0000 -224.64025 -215.70930 8.93095 2.49876 -215.31748 702.58474
5040.0000 -224.29541 -216.04426 8.25115 2.48048 -215.68453 708.77969
5045.0000 -224.18102 -215.50148 8.67954 2.52576 -214.77513 726.57474
5050.0000 -222.91538 -213.99697 8.91841 2.49623 -215.36821 723.10006
5055.0000 -221.07183 -212.77353 8.29830 2.59922 -213.29987 761.26859
5060.0000 -220.55797 -211.54345 9.01452 2.63039 -212.67385 776.48033
5065.0000 -222.50325 -213.60012 8.90313 2.63695 -212.54223 786.55767
5070.0000 -222.50045 -213.76672 8.73373 2.58719 -213.54154 741.97060
5075.0000 -222.16661 -214.60488 7.56173 2.54554 -214.37796 722.98136
5080.0000 -220.89936 -212.21714 8.68222 2.61942 -212.89422 776.54154
5085.0000 -221.13713 -211.22866 9.90847 2.65060 -212.26798 802.22699
5090.0000 -219.95998 -212.35645 7.60353 2.66806 -211.91744 784.81452
5095.0000 -221.48748 -211.89945 9.58803 2.66264 -212.02620 801.73158
5100.0000 -221.03049 -211.82047 9.21002 2.69366 -211.40335 827.91336
5105.0000 -222.14387 -211.31271 10.83115 2.66329 -212.01310 822.47740
5110.0000 -221.43989 -213.81809 7.62180 2.62163 -212.84984 766.31523
5115.0000 -224.33997 -214.83434 9.50562 2.53906 -214.50818 746.95777
5120.0000 -223.77791 -214.70774 9.07017 2.50200 -215.25229 723.96481
5125.0000 -223.38238 -214.23581 9.14657 2.48046 -215.68489 700.91995
5130.0000 -221.97647 -213.18433 8.79214 2.60069 -213.27030 773.27402
5135.0000 -223.59446 -214.58162 9.01284 2.55821 -214.12352 753.69936
5140.0000 -223.98721 -214.73597 9.25124 2.53958 -214.49762 762.70533
5145.0000 -224.21536 -216.15222 8.06314 2.46930 -215.90911 698.49205
5150.0000 -222.87239 -214.38943 8.48295 2.51516 -214.98808 733.68193
5155.0000 -221.61235 -212.93562 8.67673 2.62806 -212.72067 789.60972
5160.0000 -223.30137 -213.60006 9.70131 2.61484 -212.98613 772.63310
5165.0000 -222.18058 -212.73394 9.44664 2.60708 -213.14207 785.63665
5170.0000 -221.89025 -212.06110 9.82915 2.61908 -212.90105 771.25693
5175.0000 -223.04404 -214.08470 8.95934 2.65447 -212.19031 795.68874
5180.0000 -221.93261 -214.00375 7.92885 2.52925 -214.70519 714.82640
5185.0000 -223.52736 -214.24794 9.27942 2.58277 -213.63019 775.30462
5190.0000 -222.34398 -213.09708 9.24690 2.54558 -214.37712 732.89308
5195.0000 -222.84996 -213.29046 9.55950 2.64762 -212.32783 823.03622
5200.0000 -221.26056 -213.73721 7.52335 2.58266 -213.63254 743.01557
5205.0000 -223.21717 -214.87409 8.34308 2.56211 -214.04509 752.53406
5210.0000 -222.82139 -213.10986 9.71153 2.58474 -213.59061 782.76908
5215.0000 -222.11392 -213.77941 8.33451 2.61967 -212.88924 771.50136
5220.0000 -222.28713 -212.58449 9.70264 2.58894 -213.50626 744.44725
5225.0000 -223.17318 -214.79743 8.37574 2.54164 -214.45635 733.49453
5230.0000 -222.25395 -212.93077 9.32318 2.55426 -214.20290 759.81695
5235.0000 -224.00015 -215.51141 8.48874 2.55014 -214.28563 727.24615
5240.0000 -223.01561 -212.84945 10.16617 2.53876 -214.51418 738.64410
5245.0000 -222.82730 -213.83914 8.98816 2.55407 -214.20667 764.20699
5250.0000 -221.13507 -212.64396 8.49111 2.56527 -213.98170 737.70339
FREEZING PROCESS: loop number 22 T-loop= 738.00000000000000
main_MD> interactions number 22 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.03041 1.17436 -1.09284
force_rgl> df(natom) 5.61998 4.68156 0.64355
5255.0000 -221.64652 -212.99069 8.65583 2.60894 -213.10461 747.33785
5260.0000 -222.51843 -214.82167 7.69676 2.56348 -214.01774 776.95649
5265.0000 -224.17356 -215.77330 8.40026 2.49644 -215.36399 718.93553
5270.0000 -223.70351 -213.87871 9.82480 2.44970 -216.30271 692.55030
5275.0000 -222.85443 -213.30425 9.55017 2.57547 -213.77681 756.36953
5280.0000 -223.15069 -214.55515 8.59554 2.56647 -213.95770 751.12578
5285.0000 -222.75959 -213.91401 8.84558 2.51485 -214.99424 702.86865
5290.0000 -222.61703 -214.96471 7.65232 2.56556 -213.97593 763.98557
5295.0000 -223.35458 -214.75743 8.59715 2.54262 -214.43656 739.23315
5300.0000 -222.79659 -215.53836 7.25822 2.49507 -215.39144 700.11842
5305.0000 -222.85054 -213.78271 9.06783 2.56247 -214.03804 746.19916
5310.0000 -223.15709 -215.51710 7.63998 2.51364 -215.01857 725.29449
5315.0000 -223.96517 -216.01270 7.95247 2.45961 -216.10370 708.82424
5320.0000 -222.95205 -215.59712 7.35493 2.48666 -215.56048 714.48237
5325.0000 -222.65430 -213.84166 8.81264 2.53265 -214.63687 738.69008
5330.0000 -221.90443 -211.87690 10.02754 2.64543 -212.37182 790.67971
5335.0000 -220.85724 -212.55894 8.29830 2.64567 -212.36707 813.28715
5340.0000 -222.57994 -214.82262 7.75732 2.53757 -214.53794 737.50835
5345.0000 -222.53165 -211.89494 10.63671 2.63254 -212.63076 774.91180
5350.0000 -222.47774 -214.30362 8.17412 2.59618 -213.36088 779.09501
5355.0000 -222.84349 -213.67195 9.17154 2.57735 -213.73908 781.05322
5360.0000 -222.59795 -213.82621 8.77174 2.57417 -213.80302 777.09471
5365.0000 -223.00732 -215.34149 7.66583 2.55077 -214.27293 738.21675
5370.0000 -222.53062 -215.52425 7.00637 2.46300 -216.03560 680.88772
5375.0000 -224.55645 -215.16067 9.39578 2.52203 -214.85020 735.55822
5380.0000 -222.75010 -213.54011 9.20999 2.52288 -214.83295 719.62584
5385.0000 -223.83291 -215.04988 8.78303 2.50179 -215.25649 723.90466
5390.0000 -224.04186 -215.46646 8.57540 2.51903 -214.91032 750.91383
5395.0000 -222.52283 -214.08280 8.44003 2.56225 -214.04242 760.64291
5400.0000 -224.46238 -216.26629 8.19609 2.49073 -215.47869 718.15411
5405.0000 -223.47448 -216.08638 7.38810 2.51978 -214.89532 746.22599
5410.0000 -222.88445 -214.49853 8.38592 2.50036 -215.28531 729.83947
5415.0000 -221.59556 -212.66806 8.92751 2.55591 -214.16970 762.55033
5420.0000 -222.22119 -213.57477 8.64641 2.57761 -213.73385 782.21810
5425.0000 -224.31296 -216.32858 7.98438 2.52985 -214.69315 723.59410
5430.0000 -222.49808 -214.88807 7.61001 2.55389 -214.21024 731.84666
5435.0000 -222.41908 -215.18051 7.23857 2.50881 -215.11562 700.55329
5440.0000 -224.08223 -216.96805 7.11418 2.48897 -215.51411 692.24289
5445.0000 -224.34439 -215.16084 9.18355 2.45895 -216.11694 707.55833
5450.0000 -223.63079 -216.41807 7.21273 2.47232 -215.84837 698.17552
5455.0000 -224.47532 -215.82362 8.65171 2.45025 -216.29159 691.80289
5460.0000 -223.96545 -215.09654 8.86890 2.51508 -214.98971 732.73269
5465.0000 -222.98824 -215.39171 7.59653 2.49584 -215.37611 716.88497
5470.0000 -223.65683 -215.05948 8.59735 2.50028 -215.28688 716.91827
5475.0000 -224.29676 -215.39796 8.89880 2.47641 -215.76622 697.24316
5480.0000 -222.34511 -214.44846 7.89666 2.53212 -214.64747 733.20449
5485.0000 -223.82395 -215.11450 8.70945 2.53210 -214.64785 737.26637
5490.0000 -223.59176 -215.43410 8.15767 2.52559 -214.77856 731.11768
5495.0000 -225.43545 -216.44706 8.98838 2.46421 -216.01124 674.39191
5500.0000 -222.85701 -214.93071 7.92630 2.48644 -215.56487 704.42233
FREEZING PROCESS: loop number 23 T-loop= 713.00000000000000
main_MD> interactions number 23 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63905 -2.01895 -1.69655
force_rgl> df(natom) 1.84163 0.35333 -0.91532
5505.0000 -223.21565 -214.24634 8.96932 2.47971 -215.70005 698.44140
5510.0000 -222.02752 -214.09244 7.93509 2.51728 -214.94553 701.31760
5515.0000 -223.01138 -214.50185 8.50953 2.50745 -215.14291 700.53080
5520.0000 -221.65478 -213.39822 8.25656 2.53901 -214.50906 725.21204
5525.0000 -224.02670 -214.83411 9.19259 2.54732 -214.34228 727.32606
5530.0000 -224.34915 -214.81076 9.53839 2.50370 -215.21831 729.68118
5535.0000 -223.19038 -214.19393 8.99645 2.54227 -214.44367 735.57392
5540.0000 -223.61651 -216.11510 7.50140 2.45916 -216.11277 690.86697
5545.0000 -225.03436 -217.01791 8.01645 2.41792 -216.94092 673.78728
5550.0000 -223.79545 -214.78289 9.01256 2.44385 -216.42028 695.44250
5555.0000 -223.40348 -214.90185 8.50164 2.53175 -214.65486 728.51448
5560.0000 -223.73733 -216.67914 7.05819 2.48515 -215.59069 707.68804
5565.0000 -224.58872 -216.97902 7.60970 2.45736 -216.14893 700.84445
5570.0000 -224.27260 -216.65214 7.62046 2.42608 -216.77709 662.91683
5575.0000 -222.16868 -214.18134 7.98734 2.48784 -215.53669 692.15713
5580.0000 -223.10586 -213.37282 9.73304 2.57406 -213.80511 768.40413
5585.0000 -222.16976 -213.54659 8.62318 2.56704 -213.94610 768.61040
5590.0000 -223.49733 -215.31446 8.18287 2.53591 -214.57130 741.31988
5595.0000 -224.47676 -216.23315 8.24361 2.51368 -215.01774 737.95303
5600.0000 -222.97651 -215.17585 7.80066 2.50503 -215.19147 735.37446
5605.0000 -223.77492 -215.05204 8.72288 2.51176 -215.05629 746.48752
5610.0000 -224.65692 -216.48231 8.17460 2.46240 -216.04765 698.15361
5615.0000 -224.60485 -216.08301 8.52184 2.42792 -216.74005 658.75946
5620.0000 -224.76007 -217.81024 6.94983 2.40144 -217.27199 658.94768
5625.0000 -224.88148 -216.49824 8.38324 2.39703 -217.36041 643.89776
5630.0000 -223.54779 -216.06793 7.47986 2.44228 -216.45175 684.37158
5635.0000 -222.97023 -215.08199 7.88824 2.50678 -215.15635 727.41577
5640.0000 -222.56734 -214.47917 8.08817 2.54230 -214.44310 742.29778
5645.0000 -222.02820 -214.32635 7.70185 2.57015 -213.88365 747.47812
5650.0000 -222.65980 -213.59502 9.06478 2.55381 -214.21179 731.34593
5655.0000 -223.79823 -215.70187 8.09635 2.51941 -214.90263 714.06419
5660.0000 -224.01962 -216.55718 7.46244 2.45183 -216.25998 685.80924
5665.0000 -223.13466 -214.33680 8.79787 2.47567 -215.78122 678.59368
5670.0000 -223.99772 -214.78458 9.21314 2.56549 -213.97721 768.25988
5675.0000 -225.03892 -216.92694 8.11198 2.48066 -215.68100 732.25871
5680.0000 -224.31823 -217.40002 6.91821 2.40460 -217.20840 653.58883
5685.0000 -222.58700 -213.70885 8.87816 2.46651 -215.96502 689.94809
5690.0000 -221.96991 -212.69722 9.27268 2.59665 -213.35155 770.07976
5695.0000 -223.04619 -213.44417 9.60202 2.56530 -213.98113 764.65933
5700.0000 -221.63025 -213.74724 7.88301 2.56053 -214.07683 780.82676
5705.0000 -222.59110 -214.15312 8.43798 2.56312 -214.02490 728.44190
5710.0000 -223.89115 -214.24495 9.64620 2.59629 -213.35876 784.11463
5715.0000 -223.40378 -215.17267 8.23110 2.53262 -214.63744 751.07694
5720.0000 -224.00094 -216.42962 7.57132 2.47950 -215.70421 683.89644
5725.0000 -224.22135 -216.09557 8.12577 2.46805 -215.93409 710.33811
5730.0000 -225.65616 -217.66683 7.98933 2.42058 -216.88752 693.32067
5735.0000 -226.22890 -219.28538 6.94352 2.33440 -218.61828 636.51547
5740.0000 -225.68109 -217.99583 7.68526 2.34227 -218.46024 622.87376
5745.0000 -226.07373 -217.65269 8.42103 2.39305 -217.44050 708.59006
5750.0000 -226.01788 -217.70749 8.31039 2.37126 -217.87808 675.25663
FREEZING PROCESS: loop number 24 T-loop= 688.00000000000000
main_MD> interactions number 24 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.62120 0.93964 1.20190
force_rgl> df(natom) 1.38898 0.87238 -2.26326
5755.0000 -225.49649 -218.27698 7.21952 2.36720 -217.95963 646.45888
5760.0000 -225.95502 -217.11635 8.83866 2.36044 -218.09541 634.27208
5765.0000 -222.69589 -215.32678 7.36911 2.45744 -216.14719 706.24486
5770.0000 -226.01788 -217.94060 8.07728 2.41494 -217.00070 653.47983
5775.0000 -223.10050 -214.61292 8.48758 2.45634 -216.16943 684.45479
5780.0000 -223.36943 -214.60319 8.76624 2.53022 -214.68571 746.57691
5785.0000 -224.60034 -215.92755 8.67279 2.49210 -215.45121 696.37912
5790.0000 -223.98468 -215.54701 8.43767 2.50841 -215.12357 730.42814
5795.0000 -223.03071 -215.40153 7.62918 2.45074 -216.28189 689.00120
5800.0000 -225.66484 -218.62902 7.03582 2.43278 -216.64261 671.75727
5805.0000 -224.08364 -215.40357 8.68006 2.39473 -217.40657 637.97285
5810.0000 -223.75817 -215.68082 8.07735 2.49513 -215.39032 716.73302
5815.0000 -224.41630 -216.85919 7.55711 2.42265 -216.84597 651.91868
5820.0000 -223.74377 -215.74031 8.00346 2.45801 -216.13585 692.29703
5825.0000 -225.71543 -218.26888 7.44655 2.43852 -216.52726 676.89662
5830.0000 -224.32368 -215.95350 8.37018 2.39652 -217.37062 642.77071
5835.0000 -224.23977 -216.71081 7.52896 2.49122 -215.46877 732.56768
5840.0000 -224.94602 -215.90474 9.04127 2.41803 -216.93873 682.95816
5845.0000 -224.19846 -216.29550 7.90296 2.42935 -216.71138 671.28413
5850.0000 -222.93042 -215.25919 7.67123 2.49096 -215.47400 722.23872
5855.0000 -224.44283 -215.60585 8.83698 2.51381 -215.01525 748.54662
5860.0000 -223.29088 -215.93643 7.35445 2.47591 -215.77636 703.72932
5865.0000 -224.44703 -216.65016 7.79687 2.48317 -215.63050 706.72811
5870.0000 -225.51801 -217.70607 7.81195 2.40205 -217.25964 646.81436
5875.0000 -225.87450 -217.18156 8.69294 2.36140 -218.07601 651.44620
5880.0000 -225.61599 -216.63896 8.97702 2.41628 -216.97388 683.56952
5885.0000 -224.12706 -216.92477 7.20228 2.42509 -216.79694 671.26773
5890.0000 -226.22088 -218.04048 8.18040 2.37637 -217.77536 625.01059
5895.0000 -226.09590 -217.54955 8.54635 2.35961 -218.11193 639.10175
5900.0000 -226.09113 -217.65608 8.43504 2.37668 -217.76923 648.38015
5905.0000 -225.19413 -217.52372 7.67041 2.40283 -217.24409 668.59963
5910.0000 -223.77153 -216.49468 7.27685 2.42123 -216.87456 702.14832
5915.0000 -225.26963 -217.42534 7.84429 2.42058 -216.88742 667.46662
5920.0000 -224.57369 -217.06321 7.51048 2.37430 -217.81706 656.96798
5925.0000 -224.06194 -216.91560 7.14634 2.40798 -217.14064 678.21779
5930.0000 -223.75570 -216.56377 7.19193 2.47132 -215.86859 697.04697
5935.0000 -224.56662 -215.77812 8.78851 2.50419 -215.20844 717.68558
5940.0000 -225.15923 -217.34101 7.81823 2.44925 -216.31167 705.50263
5945.0000 -223.25128 -215.00985 8.24143 2.47891 -215.71612 711.43602
5950.0000 -224.66691 -215.79644 8.87047 2.50831 -215.12573 755.75062
5955.0000 -223.35112 -215.12841 8.22271 2.50381 -215.21608 697.32728
5960.0000 -226.40307 -218.54362 7.85945 2.39293 -217.44284 633.31313
5965.0000 -224.27512 -217.27731 6.99782 2.35729 -218.15851 635.19559
5970.0000 -223.19450 -216.18015 7.01435 2.41717 -216.95594 658.58739
5975.0000 -224.93885 -217.54909 7.38975 2.42135 -216.87206 674.36199
5980.0000 -224.65771 -217.42600 7.23170 2.39434 -217.41457 658.13224
5985.0000 -225.40611 -216.58935 8.81676 2.41043 -217.09131 661.48087
5990.0000 -224.35439 -216.06841 8.28598 2.44336 -216.42998 701.73686
5995.0000 -224.21590 -216.36063 7.85527 2.44316 -216.43401 681.76267
6000.0000 -224.33303 -216.22882 8.10421 2.46310 -216.03367 685.33043
FREEZING PROCESS: loop number 25 T-loop= 663.00000000000000
main_MD> interactions number 25 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39565 0.47787 -0.43290
force_rgl> df(natom) -1.69513 0.97815 -0.74892
6005.0000 -223.53006 -215.71900 7.81106 2.47161 -215.86273 678.73227
6010.0000 -224.16301 -216.18780 7.97521 2.50768 -215.13822 714.49142
6015.0000 -224.15208 -215.37785 8.77422 2.52157 -214.85926 743.43094
6020.0000 -222.73247 -214.69718 8.03529 2.51098 -215.07209 744.66546
6025.0000 -224.60708 -216.34313 8.26394 2.50515 -215.18915 723.24477
6030.0000 -223.80514 -216.26010 7.54504 2.45289 -216.23861 681.14421
6035.0000 -224.45820 -216.75785 7.70035 2.45148 -216.26695 682.56532
6040.0000 -224.30378 -217.23564 7.06815 2.45263 -216.24380 686.79904
6045.0000 -224.20774 -216.96106 7.24668 2.41325 -217.03473 665.95903
6050.0000 -223.96762 -216.72530 7.24232 2.39994 -217.30195 654.05904
6055.0000 -222.93068 -215.77613 7.15454 2.42724 -216.75385 661.33618
6060.0000 -225.45870 -217.60030 7.85841 2.43937 -216.51022 647.37797
6065.0000 -224.61516 -217.27492 7.34023 2.40086 -217.28346 645.83874
6070.0000 -224.92717 -216.74591 8.18127 2.43712 -216.55531 701.78467
6075.0000 -223.89872 -214.43012 9.46860 2.43999 -216.49771 695.15435
6080.0000 -222.75717 -216.13109 6.62607 2.46276 -216.04048 707.24989
6085.0000 -225.71424 -218.71970 6.99454 2.41492 -217.00128 668.34316
6090.0000 -224.56309 -216.36104 8.20204 2.36459 -218.01193 629.28026
6095.0000 -223.62908 -217.04589 6.58320 2.47926 -215.70904 717.46519
6100.0000 -225.04294 -216.10779 8.93515 2.44875 -216.32186 703.52506
6105.0000 -225.27105 -217.48736 7.78370 2.40991 -217.10187 688.00674
6110.0000 -224.54439 -217.12861 7.41578 2.40155 -217.26964 668.14257
6115.0000 -225.33823 -218.25242 7.08581 2.33678 -218.57053 627.65762
6120.0000 -227.11061 -220.64488 6.46573 2.32218 -218.86366 612.37970
6125.0000 -225.45426 -217.57298 7.88128 2.33635 -218.57904 589.78108
6130.0000 -224.99985 -217.49001 7.50983 2.38143 -217.67379 649.12835
6135.0000 -225.32947 -217.56823 7.76125 2.37428 -217.81733 641.51849
6140.0000 -225.56347 -218.16719 7.39627 2.37059 -217.89150 647.44160
6145.0000 -225.12539 -217.93926 7.18612 2.37385 -217.82595 647.62607
6150.0000 -224.21870 -216.69249 7.52621 2.40731 -217.15409 638.46927
6155.0000 -224.39463 -216.51829 7.87634 2.45980 -216.09991 682.77239
6160.0000 -224.79623 -216.18760 8.60863 2.47391 -215.81659 683.81355
6165.0000 -224.90307 -217.31905 7.58402 2.44200 -216.45728 675.07605
6170.0000 -223.25059 -213.95619 9.29441 2.40302 -217.24012 649.05297
6175.0000 -224.31683 -215.15651 9.16032 2.55051 -214.27810 756.72697
6180.0000 -224.77233 -217.37390 7.39843 2.45048 -216.28704 688.51408
6185.0000 -223.69978 -215.68400 8.01578 2.47190 -215.85679 708.46457
6190.0000 -224.19143 -215.70077 8.49066 2.47816 -215.73111 720.86144
6195.0000 -224.32138 -216.25976 8.06162 2.45965 -216.10290 686.48864
6200.0000 -223.69674 -216.55884 7.13790 2.45095 -216.27765 682.53993
6205.0000 -223.40350 -216.15632 7.24718 2.43693 -216.55917 661.26019
6210.0000 -223.24680 -214.62549 8.62131 2.49609 -215.37111 695.49143
6215.0000 -224.89514 -217.89925 6.99589 2.43893 -216.51894 670.09397
6220.0000 -224.22344 -216.81053 7.41291 2.38151 -217.67222 642.46850
6225.0000 -225.21443 -218.72982 6.48461 2.37494 -217.80414 644.99872
6230.0000 -225.72094 -218.46595 7.25499 2.33648 -218.57648 640.94901
6235.0000 -223.89662 -216.09447 7.80216 2.46133 -216.06906 693.72326
6240.0000 -225.70279 -217.37376 8.32903 2.42678 -216.76310 669.36755
6245.0000 -224.87804 -216.01352 8.86452 2.42307 -216.83744 679.14507
6250.0000 -224.70832 -215.77151 8.93681 2.48978 -215.49769 753.59548
FREEZING PROCESS: loop number 26 T-loop= 638.00000000000000
main_MD> interactions number 26 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.93176 -1.88056 0.20084
force_rgl> df(natom) 1.29247 5.97225 -0.34693
6255.0000 -225.84515 -218.77103 7.07412 2.41723 -216.95479 693.29747
6260.0000 -225.25896 -218.43669 6.82228 2.35465 -218.21161 631.64482
6265.0000 -224.73894 -217.94660 6.79234 2.36201 -218.06386 646.71553
6270.0000 -225.01413 -217.92956 7.08457 2.35071 -218.29069 587.22783
6275.0000 -224.17063 -216.34837 7.82225 2.40045 -217.29176 656.13476
6280.0000 -225.34369 -217.29503 8.04865 2.42059 -216.88731 662.98126
6285.0000 -225.07964 -217.53502 7.54463 2.39494 -217.40250 670.07889
6290.0000 -225.80702 -218.48531 7.32171 2.34518 -218.40179 623.87293
6295.0000 -225.91907 -218.34074 7.57833 2.29036 -219.50273 601.29792
6300.0000 -225.25609 -217.43350 7.82259 2.35847 -218.13480 642.27080
6305.0000 -224.95716 -216.08984 8.86732 2.41623 -216.97491 670.47276
6310.0000 -225.97743 -218.18014 7.79730 2.41057 -217.08857 662.91133
6315.0000 -225.19899 -217.75431 7.44468 2.37676 -217.76763 628.21606
6320.0000 -225.32973 -218.14301 7.18672 2.38197 -217.66299 656.80894
6325.0000 -226.56001 -219.67017 6.88984 2.30879 -219.13263 606.19920
6330.0000 -226.89926 -220.53384 6.36541 2.23342 -220.64620 556.56884
6335.0000 -226.34850 -219.90312 6.44537 2.24876 -220.33818 560.44086
6340.0000 -225.79702 -219.30304 6.49398 2.30960 -219.11624 603.46412
6345.0000 -226.31493 -219.13571 7.17921 2.29416 -219.42631 601.41998
6350.0000 -226.40149 -220.71233 5.68916 2.29009 -219.50823 567.17188
6355.0000 -225.84581 -218.84074 7.00507 2.26152 -220.08201 546.18356
6360.0000 -226.74677 -218.60978 8.13699 2.29989 -219.31127 576.68105
6365.0000 -225.11869 -217.92282 7.19587 2.33959 -218.51404 627.51533
6370.0000 -225.57044 -217.54187 8.02858 2.36751 -217.95328 647.38346
6375.0000 -225.27854 -217.30061 7.97793 2.37180 -217.86710 649.43622
6380.0000 -225.45987 -218.81523 6.64464 2.37780 -217.74664 650.85843
6385.0000 -225.01578 -216.33770 8.67808 2.34551 -218.39522 606.66321
6390.0000 -225.01547 -217.55342 7.46206 2.41182 -217.06339 689.53771
6395.0000 -224.90796 -217.64935 7.25861 2.38180 -217.66629 645.17176
6400.0000 -227.01068 -218.67791 8.33277 2.34211 -218.46351 609.86381
6405.0000 -225.93778 -217.85583 8.08195 2.32483 -218.81041 625.24404
6410.0000 -226.03928 -218.96533 7.07395 2.34349 -218.43582 656.73673
6415.0000 -224.32754 -217.26810 7.05943 2.31582 -218.99150 605.39258
6420.0000 -224.46801 -217.36263 7.10538 2.41700 -216.95942 653.11210
6425.0000 -225.12852 -216.90087 8.22766 2.38742 -217.55357 621.85032
6430.0000 -225.08224 -217.43329 7.64895 2.40434 -217.21377 658.18671
6435.0000 -223.83997 -218.08875 5.75122 2.37531 -217.79673 636.78179
6440.0000 -224.77033 -217.59370 7.17663 2.38990 -217.50363 647.27060
6445.0000 -223.09641 -216.39648 6.69992 2.43659 -216.56608 665.92310
6450.0000 -223.89505 -216.30841 7.58663 2.46265 -216.04256 665.58857
6455.0000 -225.51152 -217.67836 7.83316 2.44270 -216.44320 667.28854
6460.0000 -225.62590 -218.04060 7.58530 2.37224 -217.85830 641.94263
6465.0000 -225.63848 -219.38676 6.25172 2.33673 -218.57144 620.09269
6470.0000 -226.29144 -218.33192 7.95951 2.30134 -219.28227 605.49060
6475.0000 -226.23744 -219.23811 6.99933 2.35486 -218.20737 624.06808
6480.0000 -225.99024 -218.13094 7.85930 2.33170 -218.67241 623.43179
6485.0000 -226.11564 -217.97304 8.14260 2.37693 -217.76413 646.22945
6490.0000 -225.14523 -217.90637 7.23886 2.36323 -218.03936 630.28264
6495.0000 -225.73376 -218.95189 6.78187 2.36000 -218.10416 617.84985
6500.0000 -225.21185 -217.49883 7.71303 2.36108 -218.08252 632.96016
FREEZING PROCESS: loop number 27 T-loop= 613.00000000000000
main_MD> interactions number 27 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.45457 3.32420 1.15624
force_rgl> df(natom) -0.30723 0.72643 -0.84175
6505.0000 -225.33033 -218.54826 6.78207 2.38184 -217.66559 656.97473
6510.0000 -224.16821 -217.34692 6.82128 2.35364 -218.23193 638.89794
6515.0000 -226.27201 -219.63578 6.63623 2.30991 -219.11002 599.69954
6520.0000 -225.87851 -219.09206 6.78645 2.30259 -219.25715 604.87551
6525.0000 -226.73275 -219.28145 7.45129 2.32043 -218.89893 613.54477
6530.0000 -225.90564 -218.72865 7.17699 2.31520 -219.00379 597.56332
6535.0000 -224.15486 -217.89070 6.26416 2.37189 -217.86530 651.73883
6540.0000 -227.11135 -219.05030 8.06105 2.36713 -217.96105 665.69638
6545.0000 -227.13696 -220.06525 7.07171 2.28767 -219.55674 613.03844
6550.0000 -225.67821 -218.67094 7.00727 2.25020 -220.30927 570.60540
6555.0000 -223.69623 -216.42290 7.27333 2.40055 -217.28974 637.27921
6560.0000 -225.52752 -217.76227 7.76524 2.37944 -217.71366 634.33667
6565.0000 -225.15926 -218.33634 6.82292 2.36428 -218.01817 623.17934
6570.0000 -225.68360 -218.78193 6.90167 2.33925 -218.52078 620.50901
6575.0000 -224.71004 -218.27723 6.43281 2.33811 -218.54370 616.24555
6580.0000 -226.59067 -219.72822 6.86245 2.32558 -218.79537 618.95865
6585.0000 -224.87398 -217.85555 7.01843 2.32463 -218.81449 608.31870
6590.0000 -222.48144 -214.56219 7.91925 2.41009 -217.09811 666.58940
6595.0000 -223.46826 -216.04488 7.42338 2.49093 -215.47466 724.51545
6600.0000 -223.95070 -217.00807 6.94263 2.44519 -216.39320 667.60222
6605.0000 -224.95527 -217.07081 7.88446 2.39890 -217.32292 646.44030
6610.0000 -225.10895 -216.62911 8.47984 2.40738 -217.15260 669.61265
6615.0000 -225.43266 -218.27966 7.15300 2.37147 -217.87389 633.87450
6620.0000 -226.55161 -219.50088 7.05073 2.35574 -218.18973 616.40034
6625.0000 -226.47070 -220.13713 6.33357 2.27811 -219.74882 585.89039
6630.0000 -227.13138 -219.02171 8.10967 2.28561 -219.59810 600.45123
6635.0000 -226.01137 -219.13197 6.87940 2.28399 -219.63056 619.52935
6640.0000 -227.22612 -219.26193 7.96419 2.28552 -219.59998 598.33752
6645.0000 -226.31759 -219.70872 6.60887 2.28585 -219.59332 592.59587
6650.0000 -226.86133 -220.35982 6.50151 2.27044 -219.90276 599.72049
6655.0000 -225.65888 -218.48240 7.17648 2.29310 -219.44778 581.26785
6660.0000 -225.04675 -217.95252 7.09423 2.31053 -219.09762 607.47112
6665.0000 -225.72861 -217.15864 8.56996 2.33739 -218.55821 614.91888
6670.0000 -224.56828 -218.14984 6.41843 2.35688 -218.16676 636.30527
6675.0000 -225.65665 -218.14180 7.51485 2.35428 -218.21897 615.02514
6680.0000 -225.55084 -219.10940 6.44145 2.36791 -217.94536 627.75028
6685.0000 -226.82800 -219.28332 7.54469 2.30454 -219.21801 583.77594
6690.0000 -226.38389 -219.19546 7.18843 2.28949 -219.52030 595.86805
6695.0000 -225.56537 -218.74070 6.82467 2.30887 -219.13091 588.31382
6700.0000 -225.48274 -218.27729 7.20546 2.34346 -218.43642 626.18598
6705.0000 -224.66640 -217.92335 6.74305 2.37358 -217.83138 614.23211
6710.0000 -224.66512 -217.26595 7.39917 2.38547 -217.59260 632.05657
6715.0000 -225.49724 -218.07563 7.42161 2.38536 -217.59482 638.49050
6720.0000 -225.41356 -218.22115 7.19241 2.38637 -217.57466 639.09652
6725.0000 -224.81964 -217.93668 6.88296 2.35827 -218.13882 642.20331
6730.0000 -225.20437 -218.32666 6.87771 2.32673 -218.77231 608.13800
6735.0000 -225.98301 -219.29053 6.69248 2.32132 -218.88104 620.32779
6740.0000 -226.05131 -218.18024 7.87107 2.32327 -218.84188 619.00322
6745.0000 -226.53224 -218.54977 7.98247 2.33783 -218.54934 629.00647
6750.0000 -226.40137 -219.56283 6.83855 2.33000 -218.70655 620.66133
FREEZING PROCESS: loop number 28 T-loop= 588.00000000000000
main_MD> interactions number 28 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26874 -0.02720 0.23052
force_rgl> df(natom) 1.63293 0.23035 -1.27936
6755.0000 -225.18349 -217.33361 7.84988 2.33402 -218.62595 609.69453
6760.0000 -225.75456 -219.69562 6.05893 2.31917 -218.92421 583.95230
6765.0000 -225.26103 -218.15027 7.11076 2.30211 -219.26671 569.17557
6770.0000 -226.19157 -218.12502 8.06655 2.35382 -218.22827 613.10676
6775.0000 -225.75785 -218.78749 6.97036 2.35554 -218.19363 626.56694
6780.0000 -225.93681 -219.67538 6.26143 2.31624 -218.98305 624.85718
6785.0000 -226.60913 -219.93847 6.67066 2.24770 -220.35952 591.83463
6790.0000 -226.89567 -220.49984 6.39582 2.26706 -219.97071 590.93338
6795.0000 -227.70968 -221.20358 6.50609 2.23025 -220.70998 549.92877
6800.0000 -225.90365 -219.75713 6.14653 2.25076 -220.29799 576.07210
6805.0000 -225.58617 -218.31205 7.27412 2.30312 -219.24655 607.53355
6810.0000 -227.05602 -220.44149 6.61453 2.28165 -219.67771 584.44997
6815.0000 -227.54630 -220.19403 7.35228 2.24072 -220.49963 566.22923
6820.0000 -228.15001 -222.30002 5.84999 2.21507 -221.01481 554.68301
6825.0000 -227.18074 -221.31515 5.86560 2.20000 -221.31752 546.72053
6830.0000 -225.94554 -219.53413 6.41141 2.22640 -220.78716 573.25017
6835.0000 -226.18202 -218.14457 8.03745 2.31313 -219.04541 605.15245
6840.0000 -225.45457 -218.34398 7.11059 2.36158 -218.07240 632.68735
6845.0000 -224.62043 -217.50569 7.11474 2.37303 -217.84243 619.29965
6850.0000 -225.64160 -217.88640 7.75520 2.34660 -218.37324 636.27487
6855.0000 -225.05410 -217.65207 7.40203 2.33345 -218.63731 608.51607
6860.0000 -225.79198 -219.50671 6.28527 2.32441 -218.81888 603.60169
6865.0000 -226.28656 -220.19387 6.09269 2.28624 -219.58539 569.93046
6870.0000 -226.66043 -218.71582 7.94461 2.28340 -219.64250 567.50950
6875.0000 -227.04120 -219.69747 7.34373 2.30200 -219.26890 607.53070
6880.0000 -226.79131 -219.39265 7.39866 2.30819 -219.14474 595.44375
6885.0000 -226.52151 -219.93739 6.58412 2.27780 -219.75505 587.06227
6890.0000 -226.04985 -219.33019 6.71966 2.27671 -219.77694 573.69338
6895.0000 -227.24734 -221.17382 6.07352 2.25403 -220.23225 557.18265
6900.0000 -226.98519 -220.65918 6.32601 2.22146 -220.88651 557.74574
6905.0000 -226.82258 -220.78663 6.03596 2.23983 -220.51751 556.14931
6910.0000 -227.28761 -221.07609 6.21152 2.21810 -220.95392 545.58744
6915.0000 -227.49023 -221.51200 5.97822 2.21097 -221.09707 537.65218
6920.0000 -227.16090 -220.62929 6.53161 2.24301 -220.45375 569.86264
6925.0000 -227.42438 -220.48647 6.93791 2.25283 -220.25653 572.03544
6930.0000 -226.76732 -220.63385 6.13348 2.22183 -220.87900 552.20705
6935.0000 -227.17445 -219.52093 7.65352 2.26101 -220.09224 582.62557
6940.0000 -227.83919 -220.33139 7.50780 2.25659 -220.18093 575.29296
6945.0000 -226.82428 -220.12911 6.69517 2.28726 -219.56500 609.85496
6950.0000 -227.72973 -220.11422 7.61551 2.26891 -219.93342 613.61627
6955.0000 -228.33876 -221.37522 6.96353 2.21313 -221.05373 584.04498
6960.0000 -227.98334 -219.80168 8.18166 2.24911 -220.33114 622.90371
6965.0000 -226.45003 -218.88402 7.56602 2.29568 -219.39581 631.83972
6970.0000 -227.33153 -221.32131 6.01021 2.27185 -219.87439 587.84820
6975.0000 -226.78826 -220.13274 6.65553 2.23050 -220.70496 566.72901
6980.0000 -226.65336 -219.91964 6.73371 2.24431 -220.42745 585.95799
6985.0000 -227.14294 -220.52448 6.61846 2.25281 -220.25675 574.47132
6990.0000 -226.53096 -220.25508 6.27589 2.26556 -220.00085 564.06829
6995.0000 -227.28621 -221.30125 5.98496 2.19889 -221.33981 526.57256
7000.0000 -227.37351 -220.96013 6.41338 2.21830 -220.94983 532.16666
FREEZING PROCESS: loop number 29 T-loop= 563.00000000000000
main_MD> interactions number 29 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.70977 -2.70980 0.05680
force_rgl> df(natom) 2.57585 -4.40151 1.16929
7005.0000 -226.10205 -219.97435 6.12770 2.25802 -220.15216 559.11370
7010.0000 -226.70530 -220.35394 6.35136 2.25242 -220.26462 566.55656
7015.0000 -227.56190 -220.48844 7.07345 2.25299 -220.25329 551.77387
7020.0000 -228.11882 -221.42939 6.68943 2.24043 -220.50553 569.84759
7025.0000 -227.24721 -220.96398 6.28323 2.19151 -221.48784 543.33925
7030.0000 -227.96419 -222.33114 5.63304 2.17781 -221.76312 549.07319
7035.0000 -228.00033 -221.84889 6.15144 2.16430 -222.03440 513.76532
7040.0000 -228.23987 -221.63960 6.60027 2.17158 -221.88817 529.24289
7045.0000 -228.15748 -222.39875 5.75873 2.18510 -221.61666 552.74808
7050.0000 -228.27249 -222.06644 6.20605 2.15248 -222.27170 530.95832
7055.0000 -228.39720 -222.06115 6.33605 2.15547 -222.21181 552.76707
7060.0000 -229.15348 -224.29404 4.85944 2.10325 -223.26040 513.89376
7065.0000 -229.65675 -223.28863 6.36812 2.09218 -223.48270 503.39532
7070.0000 -228.40538 -222.29389 6.11148 2.10348 -223.25574 508.20862
7075.0000 -227.93560 -221.40068 6.53492 2.17808 -221.75768 550.95638
7080.0000 -226.27021 -219.75303 6.51718 2.26488 -220.01451 588.06992
7085.0000 -226.31274 -220.04188 6.27085 2.26517 -220.00852 563.56762
7090.0000 -226.65453 -218.95279 7.70174 2.32397 -218.82783 620.44270
7095.0000 -227.59846 -219.99705 7.60141 2.29688 -219.37181 610.18783
7100.0000 -226.20682 -219.72900 6.47782 2.23625 -220.58951 566.38229
7105.0000 -226.75446 -219.99032 6.76413 2.27764 -219.75826 604.60452
7110.0000 -226.10930 -219.70543 6.40388 2.27496 -219.81200 569.63972
7115.0000 -227.40209 -221.44062 5.96148 2.22896 -220.73573 551.55995
7120.0000 -227.86245 -221.82017 6.04228 2.18929 -221.53256 536.45865
7125.0000 -226.80320 -220.19607 6.60713 2.21165 -221.08337 549.49322
7130.0000 -226.87671 -221.01838 5.85832 2.22396 -220.83631 557.42217
7135.0000 -226.06199 -218.23842 7.82357 2.27438 -219.82369 552.99033
7140.0000 -227.98655 -220.75469 7.23187 2.27916 -219.72774 603.75247
7145.0000 -228.69212 -222.41959 6.27253 2.17539 -221.81166 535.32073
7150.0000 -226.76742 -220.78140 5.98602 2.21301 -221.05613 531.98479
7155.0000 -226.81358 -221.29743 5.51615 2.22672 -220.78080 549.68039
7160.0000 -227.49787 -220.56408 6.93379 2.23842 -220.54591 564.46458
7165.0000 -227.77419 -221.21122 6.56296 2.22638 -220.78767 568.92223
7170.0000 -228.83491 -221.10143 7.73348 2.18074 -221.70429 544.45727
7175.0000 -227.72871 -221.28687 6.44185 2.22823 -220.75054 577.26628
7180.0000 -229.65860 -221.08871 8.56990 2.21673 -220.98145 580.80305
7185.0000 -229.15232 -222.92076 6.23156 2.17192 -221.88137 587.30165
7190.0000 -227.97714 -221.08654 6.89060 2.21460 -221.02413 621.43451
7195.0000 -227.96200 -221.32416 6.63784 2.17157 -221.88846 550.31426
7200.0000 -228.28460 -221.23280 7.05181 2.18953 -221.52771 530.24713
7205.0000 -227.20559 -220.48423 6.72136 2.25233 -220.26649 586.62766
7210.0000 -226.95359 -220.98934 5.96425 2.27449 -219.82153 600.75199
7215.0000 -227.38109 -221.19251 6.18859 2.20914 -221.13391 545.72570
7220.0000 -227.94657 -221.45774 6.48883 2.17097 -221.90052 519.35815
7225.0000 -225.58854 -219.38156 6.20699 2.24159 -220.48221 561.41400
7230.0000 -226.85470 -220.32910 6.52560 2.27542 -219.80276 584.45704
7235.0000 -226.22887 -221.08877 5.14011 2.28925 -219.52504 589.59044
7240.0000 -227.63962 -221.36354 6.27608 2.23718 -220.57084 558.87933
7245.0000 -228.47266 -222.10705 6.36561 2.19243 -221.46943 565.36841
7250.0000 -226.69033 -221.34901 5.34132 2.16098 -222.10097 523.21663
FREEZING PROCESS: loop number 30 T-loop= 538.00000000000000
main_MD> interactions number 30 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76460 -0.26210 -1.73023
force_rgl> df(natom) 0.15781 -3.43224 -1.09874
7255.0000 -227.66736 -220.99815 6.66921 2.25228 -220.26740 563.21888
7260.0000 -226.67280 -220.26771 6.40509 2.25440 -220.22491 575.36799
7265.0000 -226.67739 -220.17929 6.49811 2.27885 -219.73390 571.89391
7270.0000 -225.90812 -219.64306 6.26506 2.28346 -219.64130 574.76771
7275.0000 -227.24439 -220.73147 6.51292 2.27981 -219.71460 576.61919
7280.0000 -226.11071 -220.78886 5.32185 2.22944 -220.72616 525.99869
7285.0000 -226.79637 -221.26867 5.52769 2.22326 -220.85038 534.05621
7290.0000 -227.22873 -221.26804 5.96069 2.17499 -221.81968 511.54566
7295.0000 -227.51874 -222.64725 4.87149 2.15491 -222.22305 532.98723
7300.0000 -229.06635 -222.85641 6.20994 2.10347 -223.25611 513.07951
7305.0000 -228.08918 -222.14253 5.94665 2.13851 -222.55230 518.42812
7310.0000 -229.20950 -222.13146 7.07804 2.14408 -222.44051 535.36928
7315.0000 -228.20783 -222.76831 5.43952 2.13213 -222.68051 505.98391
7320.0000 -226.68255 -220.30879 6.37376 2.16825 -221.95496 506.30644
7325.0000 -227.03203 -220.86524 6.16679 2.25801 -220.15236 565.47510
7330.0000 -227.13109 -221.39460 5.73649 2.21774 -220.96119 551.05576
7335.0000 -227.23054 -221.49278 5.73776 2.19480 -221.42189 530.29237
7340.0000 -227.83887 -221.05695 6.78192 2.22170 -220.88163 551.29372
7345.0000 -227.57649 -221.83035 5.74614 2.20268 -221.26358 534.44067
7350.0000 -227.52547 -221.61545 5.91002 2.19699 -221.37792 542.81219
7355.0000 -227.84720 -220.98541 6.86179 2.20724 -221.17209 560.14686
7360.0000 -228.75893 -223.14658 5.61235 2.17947 -221.72965 533.77322
7365.0000 -226.81698 -221.40522 5.41176 2.13939 -222.53457 493.06467
7370.0000 -226.17631 -219.53039 6.64592 2.26905 -219.93067 570.14285
7375.0000 -228.13470 -220.98398 7.15073 2.25292 -220.25453 568.00724
7380.0000 -228.01027 -221.43461 6.57566 2.20842 -221.14829 534.33210
7385.0000 -227.53551 -221.34447 6.19103 2.17930 -221.73308 517.85840
7390.0000 -227.62585 -221.19004 6.43582 2.20720 -221.17274 521.11442
7395.0000 -227.13568 -221.60816 5.52751 2.18585 -221.60167 519.20050
7400.0000 -228.02952 -221.49132 6.53820 2.16642 -221.99187 516.33688
7405.0000 -227.11061 -219.87615 7.23446 2.24301 -220.45358 573.32774
7410.0000 -228.46948 -221.64273 6.82675 2.25819 -220.14885 590.33096
7415.0000 -227.34123 -220.95550 6.38573 2.22389 -220.83774 571.70552
7420.0000 -228.05459 -221.19781 6.85678 2.20953 -221.12604 559.15966
7425.0000 -228.21370 -222.01650 6.19720 2.18848 -221.54886 537.99716
7430.0000 -228.03428 -222.14406 5.89022 2.16054 -222.10985 527.53218
7435.0000 -228.87212 -223.73010 5.14202 2.10596 -223.20602 482.38535
7440.0000 -229.19608 -223.10146 6.09462 2.07185 -223.89097 458.44623
7445.0000 -228.49078 -222.39848 6.09230 2.14580 -222.40588 524.45350
7450.0000 -229.02552 -222.77191 6.25361 2.14945 -222.33268 528.99366
7455.0000 -229.74537 -224.12422 5.62115 2.10748 -223.17555 492.68781
7460.0000 -228.62571 -222.61199 6.01372 2.12244 -222.87498 514.55960
7465.0000 -228.42665 -221.59921 6.82745 2.16794 -221.96120 544.07955
7470.0000 -227.92935 -221.30967 6.61967 2.19381 -221.44175 549.44545
7475.0000 -228.01798 -221.71773 6.30026 2.18151 -221.68886 549.28977
7480.0000 -228.53934 -222.32455 6.21479 2.19563 -221.40522 554.07075
7485.0000 -227.10701 -220.23771 6.86929 2.16486 -222.02324 522.13501
7490.0000 -227.12264 -219.66897 7.45367 2.23727 -220.56885 577.83237
7495.0000 -228.21837 -221.22891 6.98946 2.20080 -221.30140 539.55686
7500.0000 -228.59250 -221.37591 7.21659 2.19777 -221.36227 544.34267
FREEZING PROCESS: loop number 31 T-loop= 513.00000000000000
main_MD> interactions number 31 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.99212 1.34706 -0.59233
force_rgl> df(natom) 2.31152 -2.69424 0.62415
7505.0000 -229.23853 -222.04774 7.19079 2.19209 -221.47624 552.80847
7510.0000 -228.22882 -222.10269 6.12614 2.14230 -222.47617 522.66284
7515.0000 -227.36080 -221.21302 6.14778 2.18864 -221.54549 556.03167
7520.0000 -228.10736 -221.91318 6.19418 2.14742 -222.37329 495.12973
7525.0000 -227.79637 -222.30318 5.49319 2.17208 -221.87819 514.24384
7530.0000 -227.15151 -220.94538 6.20613 2.19880 -221.34152 533.11757
7535.0000 -227.37312 -221.37584 5.99729 2.22619 -220.79150 536.35061
7540.0000 -227.83195 -222.23984 5.59212 2.18285 -221.66186 528.91633
7545.0000 -228.72782 -223.41620 5.31161 2.13479 -222.62704 504.61038
7550.0000 -228.38532 -222.70858 5.67674 2.11913 -222.94154 486.47911
7555.0000 -228.13912 -222.67423 5.46489 2.12790 -222.76550 486.19198
7560.0000 -227.74402 -221.87358 5.87044 2.14661 -222.38958 497.91077
7565.0000 -228.52530 -222.03419 6.49110 2.13670 -222.58867 511.85867
7570.0000 -226.76619 -220.77242 5.99377 2.19223 -221.47357 536.36050
7575.0000 -229.26169 -222.99185 6.26984 2.15379 -222.24538 534.09678
7580.0000 -229.32925 -223.40559 5.92366 2.09514 -223.42342 491.05159
7585.0000 -229.67535 -223.99171 5.68364 2.06498 -224.02897 464.29675
7590.0000 -229.12416 -223.44884 5.67533 2.11290 -223.06665 505.78403
7595.0000 -229.35791 -223.31987 6.03804 2.08919 -223.54275 482.64460
7600.0000 -228.81954 -223.24870 5.57084 2.10453 -223.23483 485.37420
7605.0000 -228.13606 -222.33696 5.79910 2.14144 -222.49340 495.30099
7610.0000 -227.47419 -222.03296 5.44122 2.14398 -222.44246 494.86884
7615.0000 -227.71278 -220.71100 7.00178 2.18910 -221.53632 529.41349
7620.0000 -226.71313 -220.37730 6.33584 2.24484 -220.41682 557.04146
7625.0000 -227.37358 -221.95443 5.41916 2.18567 -221.60512 518.56585
7630.0000 -227.58973 -222.51357 5.07616 2.15322 -222.25685 512.33961
7635.0000 -230.00489 -223.65870 6.34619 2.10807 -223.16363 501.77092
7640.0000 -228.01300 -222.80198 5.21102 2.10365 -223.25241 504.92561
7645.0000 -227.92534 -220.87095 7.05438 2.14248 -222.47253 516.56515
7650.0000 -228.10885 -222.18946 5.91939 2.17987 -221.72179 535.79199
7655.0000 -228.32878 -223.10940 5.21939 2.12518 -222.81996 503.86969
7660.0000 -229.34698 -223.85142 5.49557 2.09053 -223.51585 484.22928
7665.0000 -229.29856 -222.96814 6.33041 2.09740 -223.37803 516.75187
7670.0000 -228.73603 -222.89795 5.83808 2.13065 -222.71016 520.22747
7675.0000 -230.26922 -224.71061 5.55861 2.07199 -223.88827 476.49496
7680.0000 -228.92712 -223.80302 5.12410 2.03288 -224.67366 452.86103
7685.0000 -228.71355 -221.46117 7.25238 2.15805 -222.15990 527.71930
7690.0000 -228.55242 -222.38016 6.17226 2.14796 -222.36248 550.96022
7695.0000 -229.50609 -223.34074 6.16535 2.14611 -222.39964 550.84407
7700.0000 -229.55667 -223.93505 5.62162 2.06995 -223.92920 491.97102
7705.0000 -229.99944 -224.38827 5.61117 2.04702 -224.38979 486.27529
7710.0000 -229.41101 -223.67388 5.73712 2.07435 -223.84087 495.62874
7715.0000 -228.54337 -222.41031 6.13306 2.10886 -223.14788 513.22274
7720.0000 -229.60000 -223.89111 5.70889 2.11891 -222.94605 534.28387
7725.0000 -228.93855 -223.88234 5.05621 2.08839 -223.55892 497.41318
7730.0000 -229.82640 -224.18474 5.64166 2.03345 -224.66228 460.57718
7735.0000 -229.74347 -223.66649 6.07699 2.06875 -223.95327 492.35369
7740.0000 -229.88050 -223.34431 6.53620 2.09208 -223.48479 534.01262
7745.0000 -229.77353 -224.05049 5.72304 2.09421 -223.44208 520.40870
7750.0000 -228.86809 -222.35592 6.51217 2.10439 -223.23760 526.18672
FREEZING PROCESS: loop number 32 T-loop= 488.00000000000000
main_MD> interactions number 32 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23391 2.96676 -1.42200
force_rgl> df(natom) -0.18976 4.58968 -1.06377
7755.0000 -229.54796 -223.37301 6.17495 2.12609 -222.80169 512.65866
7760.0000 -228.70687 -223.01680 5.69008 2.13071 -222.70895 526.99319
7765.0000 -230.23022 -224.37064 5.85958 2.08274 -223.67239 503.28756
7770.0000 -229.63913 -224.06041 5.57872 2.05035 -224.32290 475.21556
7775.0000 -229.62572 -223.08297 6.54275 2.08392 -223.64860 501.44643
7780.0000 -228.57590 -222.34934 6.22656 2.12989 -222.72540 535.53654
7785.0000 -230.52880 -224.41454 6.11425 2.07957 -223.73608 495.07074
7790.0000 -231.17370 -225.14010 6.03360 1.99991 -225.33576 450.67181
7795.0000 -229.88747 -224.58550 5.30198 2.02174 -224.89740 455.23364
7800.0000 -230.13412 -224.82351 5.31061 2.02457 -224.84056 461.35545
7805.0000 -230.31616 -224.17508 6.14108 2.01725 -224.98766 449.22608
7810.0000 -229.02171 -222.82190 6.19981 2.11816 -222.96104 505.56525
7815.0000 -230.05512 -223.78708 6.26804 2.07247 -223.87866 479.50382
7820.0000 -229.84328 -224.57986 5.26342 2.06485 -224.03167 489.63967
7825.0000 -229.85063 -224.01986 5.83078 2.06962 -223.93577 483.79657
7830.0000 -229.54553 -223.63408 5.91145 2.08521 -223.62266 504.90316
7835.0000 -229.38406 -223.66086 5.72320 2.07941 -223.73917 499.92823
7840.0000 -228.33858 -222.82059 5.51799 2.11557 -223.01299 520.02836
7845.0000 -229.22731 -222.90325 6.32406 2.11033 -223.11836 511.67805
7850.0000 -229.53689 -223.03607 6.50082 2.11546 -223.01530 510.68763
7855.0000 -229.50300 -222.64487 6.85813 2.12471 -222.82941 514.13185
7860.0000 -229.60525 -223.26659 6.33866 2.12430 -222.83764 511.38920
7865.0000 -228.46003 -222.90981 5.55022 2.10919 -223.14109 488.53905
7870.0000 -228.11813 -222.91679 5.20134 2.09152 -223.49606 490.18153
7875.0000 -228.50047 -222.55758 5.94289 2.13061 -222.71095 511.81276
7880.0000 -229.38029 -223.74368 5.63661 2.09922 -223.34130 507.20018
7885.0000 -228.67630 -223.17714 5.49915 2.07574 -223.81285 488.98516
7890.0000 -228.60557 -223.19135 5.41422 2.08786 -223.56962 499.29738
7895.0000 -229.55090 -224.00786 5.54304 2.10776 -223.16982 483.30487
7900.0000 -229.24099 -224.35704 4.88396 2.06770 -223.97438 457.80879
7905.0000 -228.48859 -223.34820 5.14039 2.06004 -224.12831 451.87234
7910.0000 -229.74235 -223.87006 5.87229 2.09377 -223.45084 494.64526
7915.0000 -229.94642 -223.90712 6.03930 2.08780 -223.57080 496.35154
7920.0000 -229.21040 -222.93095 6.27946 2.10005 -223.32474 510.24767
7925.0000 -230.69159 -224.80581 5.88577 2.05451 -224.23933 480.55122
7930.0000 -229.60544 -224.02520 5.58024 2.05904 -224.14834 476.81603
7935.0000 -231.02001 -224.75925 6.26077 2.03892 -224.55245 476.28409
7940.0000 -229.33609 -223.32361 6.01248 2.04307 -224.46908 457.35761
7945.0000 -229.02102 -223.49399 5.52703 2.09892 -223.34732 501.18652
7950.0000 -229.68233 -224.05219 5.63014 2.09189 -223.48869 521.87331
7955.0000 -230.83153 -225.17903 5.65250 2.04620 -224.40622 505.25026
7960.0000 -230.97995 -225.44587 5.53408 1.99659 -225.40243 476.28253
7965.0000 -231.52841 -225.81405 5.71436 2.01357 -225.06155 491.37448
7970.0000 -230.95430 -225.94953 5.00476 1.98277 -225.68015 465.92014
7975.0000 -229.40926 -224.45891 4.95036 1.99661 -225.40205 477.25456
7980.0000 -231.08397 -225.74667 5.33730 2.00388 -225.25615 467.32211
7985.0000 -230.00003 -224.28643 5.71360 2.01924 -224.94763 476.06554
7990.0000 -229.44947 -223.63614 5.81333 2.07950 -223.73734 516.69620
7995.0000 -230.08409 -224.50565 5.57845 2.08088 -223.70977 501.97529
8000.0000 -229.16823 -223.67541 5.49282 2.04537 -224.42284 482.95278
FREEZING PROCESS: loop number 33 T-loop= 463.00000000000000
main_MD> interactions number 33 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.94413 0.81695 -0.72501
force_rgl> df(natom) -0.36715 0.25941 0.24397
8005.0000 -230.74081 -225.26443 5.47638 2.06739 -223.98061 504.96393
8010.0000 -230.67183 -224.69838 5.97345 2.00698 -225.19377 474.43342
8015.0000 -229.66154 -223.88327 5.77827 2.05039 -224.32197 497.32852
8020.0000 -230.07929 -224.78522 5.29407 2.06503 -224.02795 506.14751
8025.0000 -230.55236 -224.24227 6.31009 2.04088 -224.51305 499.92467
8030.0000 -230.44054 -225.04569 5.39485 2.02974 -224.73671 489.13101
8035.0000 -231.13133 -225.87172 5.25960 1.99048 -225.52520 468.56905
8040.0000 -231.19758 -226.06341 5.13417 1.97350 -225.86621 459.75817
8045.0000 -230.59477 -225.40488 5.18989 2.00184 -225.29701 478.98486
8050.0000 -231.19723 -225.61173 5.58550 1.96574 -226.02216 451.66571
8055.0000 -230.82843 -226.32598 4.50244 1.97637 -225.80863 463.06021
8060.0000 -230.51933 -225.35700 5.16233 1.97424 -225.85134 456.41469
8065.0000 -231.47420 -226.59199 4.88222 1.93540 -226.63145 428.64808
8070.0000 -232.22209 -226.37787 5.84422 1.96441 -226.04871 444.30526
8075.0000 -231.79028 -226.47332 5.31695 1.94840 -226.37033 440.47837
8080.0000 -231.30798 -225.09228 6.21569 1.96916 -225.95343 456.84059
8085.0000 -230.81306 -224.84183 5.97123 1.99871 -225.35986 480.26793
8090.0000 -230.37127 -225.22091 5.15035 2.02206 -224.89100 493.27809
8095.0000 -229.92689 -224.77453 5.15236 2.03436 -224.64405 495.42556
8100.0000 -231.38373 -225.28921 6.09451 2.03963 -224.53816 497.84695
8105.0000 -231.36619 -225.91162 5.45457 1.99493 -225.43590 469.57699
8110.0000 -231.34231 -226.62329 4.71902 1.95672 -226.20314 445.51395
8115.0000 -231.04980 -225.47935 5.57045 1.95283 -226.28134 442.31587
8120.0000 -230.90708 -226.25341 4.65366 1.97397 -225.85683 456.09326
8125.0000 -231.81102 -226.89288 4.91814 1.94349 -226.46885 436.26520
8130.0000 -231.60123 -226.81636 4.78487 1.93461 -226.64725 424.85931
8135.0000 -231.85043 -226.56376 5.28667 1.92548 -226.83059 426.29924
8140.0000 -231.49064 -226.58166 4.90899 1.93462 -226.64708 420.19987
8145.0000 -230.68540 -225.66243 5.02297 1.98149 -225.70570 453.30775
8150.0000 -231.38329 -226.05682 5.32646 1.96353 -226.06648 441.81003
8155.0000 -231.34001 -226.52274 4.81727 1.92412 -226.85791 411.64851
8160.0000 -231.06237 -225.91307 5.14930 1.95702 -226.19717 435.46422
8165.0000 -231.27284 -225.88843 5.38441 1.93890 -226.56113 421.71869
8170.0000 -230.80334 -225.59554 5.20780 1.94775 -226.38336 439.36046
8175.0000 -231.21205 -225.91114 5.30091 1.96593 -226.01816 452.30223
8180.0000 -231.22162 -225.37614 5.84548 1.95962 -226.14490 450.66658
8185.0000 -230.23441 -224.94611 5.28830 1.98739 -225.58736 458.23413
8190.0000 -230.87016 -225.69265 5.17751 1.99714 -225.39139 460.07968
8195.0000 -230.95053 -225.22490 5.72563 1.97130 -225.91048 445.34064
8200.0000 -231.13412 -226.06151 5.07261 1.98010 -225.73368 460.81644
8205.0000 -231.08782 -226.30360 4.78422 1.97970 -225.74179 459.83638
8210.0000 -230.76714 -226.12013 4.64701 1.93527 -226.63399 420.23014
8215.0000 -230.72956 -225.49036 5.23920 1.98347 -225.66599 467.72729
8220.0000 -230.13870 -224.47547 5.66323 1.99827 -225.36880 471.01226
8225.0000 -230.99962 -225.90385 5.09577 1.99584 -225.41754 470.10034
8230.0000 -230.17227 -224.91465 5.25762 2.00985 -225.13627 490.52236
8235.0000 -231.15523 -225.78849 5.36674 1.99621 -225.41011 474.87327
8240.0000 -231.23140 -226.33377 4.89763 1.98396 -225.65619 465.74970
8245.0000 -230.86079 -226.20951 4.65127 1.95719 -226.19385 431.32473
8250.0000 -231.48913 -226.02608 5.46305 1.96934 -225.94977 454.71942
FREEZING PROCESS: loop number 34 T-loop= 438.00000000000000
main_MD> interactions number 34 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21796 -1.80242 0.14495
force_rgl> df(natom) -0.94879 -2.76141 2.86155
8255.0000 -231.69036 -227.07948 4.61087 1.93521 -226.63529 430.44554
8260.0000 -231.32029 -226.07564 5.24465 1.92578 -226.82455 424.30387
8265.0000 -231.04765 -224.98368 6.06397 1.96159 -226.10533 453.43183
8270.0000 -231.12722 -225.40715 5.72006 2.02644 -224.80299 499.31614
8275.0000 -230.78667 -224.83178 5.95489 2.03324 -224.66641 500.15415
8280.0000 -230.86788 -225.86858 4.99929 1.99358 -225.46300 472.16723
8285.0000 -230.72731 -225.85029 4.87702 1.95576 -226.22247 444.20671
8290.0000 -230.87848 -225.98088 4.89760 1.95372 -226.26352 444.57159
8295.0000 -231.19941 -225.64407 5.55534 1.98372 -225.66089 466.16102
8300.0000 -230.45530 -225.39351 5.06179 1.98064 -225.72278 462.63048
8305.0000 -230.51683 -225.46025 5.05657 1.97347 -225.86672 459.23431
8310.0000 -231.24453 -225.51488 5.72965 2.02181 -224.89597 492.59652
8315.0000 -230.74061 -225.64445 5.09616 1.98327 -225.66998 463.01188
8320.0000 -231.20164 -225.66054 5.54110 1.96804 -225.97588 454.59957
8325.0000 -231.62580 -226.72409 4.90171 1.97715 -225.79292 461.91876
8330.0000 -231.49466 -225.96457 5.53008 1.95092 -226.31970 443.21549
8335.0000 -231.45603 -226.85652 4.59951 1.95137 -226.31070 437.80470
8340.0000 -231.03988 -225.24570 5.79418 1.97155 -225.90547 449.79382
8345.0000 -231.19119 -226.08417 5.10703 1.97677 -225.80060 460.97170
8350.0000 -231.11638 -226.68523 4.43114 1.93992 -226.54067 435.24517
8355.0000 -230.80888 -226.55168 4.25720 1.93479 -226.64354 426.57815
8360.0000 -231.94627 -226.34777 5.59851 1.95203 -226.29746 439.59317
8365.0000 -231.84133 -226.73188 5.10945 1.94556 -226.42725 438.21939
8370.0000 -231.98058 -227.11048 4.87010 1.97240 -225.88828 457.81586
8375.0000 -231.16916 -226.04656 5.12260 1.92107 -226.91911 414.88424
8380.0000 -232.06399 -227.33105 4.73294 1.93378 -226.66394 423.65369
8385.0000 -231.44979 -226.95184 4.49794 1.92148 -226.91084 426.88196
8390.0000 -231.24428 -226.94490 4.29938 1.93726 -226.59400 421.72852
8395.0000 -230.46253 -225.14882 5.31371 1.94987 -226.34088 428.42562
8400.0000 -231.46900 -226.12221 5.34680 1.97364 -225.86332 447.71819
8405.0000 -231.06660 -226.36129 4.70531 1.93937 -226.55166 417.20312
8410.0000 -230.34841 -225.90620 4.44220 1.96558 -226.02525 437.86135
8415.0000 -230.70964 -226.36210 4.34754 1.96469 -226.04313 429.97173
8420.0000 -231.91735 -226.19137 5.72598 1.94517 -226.43525 424.12228
8425.0000 -230.83924 -225.62499 5.21424 1.96759 -225.98489 446.13253
8430.0000 -231.30096 -226.70432 4.59664 1.96128 -226.11155 434.69049
8435.0000 -231.28292 -225.84781 5.43511 1.94885 -226.36131 430.17630
8440.0000 -230.55763 -225.44800 5.10963 1.98392 -225.65697 456.73695
8445.0000 -230.95269 -225.86334 5.08935 1.99932 -225.34763 473.91272
8450.0000 -232.34638 -227.43117 4.91521 1.92045 -226.93158 417.95369
8455.0000 -231.86442 -226.88892 4.97551 1.89449 -227.45288 398.18608
8460.0000 -231.56201 -226.54814 5.01387 1.91611 -227.01873 418.93926
8465.0000 -232.27561 -226.91260 5.36301 1.92530 -226.83414 424.00921
8470.0000 -231.32753 -225.44644 5.88108 1.95039 -226.33039 441.83284
8475.0000 -230.92042 -225.92673 4.99369 1.98699 -225.59529 462.47064
8480.0000 -231.13329 -226.04671 5.08657 1.95996 -226.13818 447.29837
8485.0000 -230.81353 -225.38216 5.43137 1.94516 -226.43545 434.48760
8490.0000 -230.73717 -224.89145 5.84572 2.01541 -225.02446 484.37520
8495.0000 -230.99745 -225.52119 5.47626 1.99980 -225.33809 476.88164
8500.0000 -231.01126 -225.81093 5.20033 1.97297 -225.87695 440.69340
FREEZING PROCESS: loop number 35 T-loop= 413.00000000000000
main_MD> interactions number 35 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49569 -0.39613 1.29474
force_rgl> df(natom) 0.52842 1.78880 -1.35499
8505.0000 -232.10326 -226.67648 5.42678 1.95146 -226.30887 439.27931
8510.0000 -231.31566 -226.67314 4.64252 1.93466 -226.64622 426.92413
8515.0000 -231.00727 -226.39214 4.61513 1.95312 -226.27547 433.14428
8520.0000 -231.16324 -225.79802 5.36522 1.94514 -226.43580 426.40413
8525.0000 -231.02907 -226.70204 4.32703 1.95194 -226.29928 432.39755
8530.0000 -231.92798 -227.60611 4.32187 1.90247 -227.29271 399.66843
8535.0000 -230.99535 -225.97735 5.01800 1.93157 -226.70832 416.34984
8540.0000 -231.78498 -227.36335 4.42162 1.92102 -226.92022 410.41884
8545.0000 -231.02819 -226.55459 4.47360 1.93334 -226.67278 415.22570
8550.0000 -232.00859 -227.27149 4.73710 1.92509 -226.83847 412.50373
8555.0000 -231.25643 -226.23010 5.02633 1.93302 -226.67921 428.67171
8560.0000 -232.19173 -226.90813 5.28360 1.94585 -226.42161 435.75613
8565.0000 -232.02490 -227.29167 4.73323 1.91629 -227.01519 413.71708
8570.0000 -232.21327 -227.37591 4.83735 1.87053 -227.93419 380.32329
8575.0000 -231.85691 -227.14944 4.70748 1.90632 -227.21546 409.76599
8580.0000 -232.26337 -226.68060 5.58278 1.91823 -226.97620 416.64917
8585.0000 -231.77641 -227.23207 4.54434 1.93040 -226.73173 427.06931
8590.0000 -231.92350 -226.23088 5.69262 1.91898 -226.96108 410.54861
8595.0000 -231.30578 -225.74186 5.56391 1.93983 -226.54236 428.48703
8600.0000 -231.81266 -227.58570 4.22696 1.94045 -226.52991 433.90767
8605.0000 -232.76737 -227.68049 5.08688 1.89123 -227.51836 394.98284
8610.0000 -232.53403 -228.22493 4.30910 1.85570 -228.23196 371.57059
8615.0000 -232.29505 -227.39318 4.90187 1.87494 -227.84561 381.31174
8620.0000 -232.19237 -227.23959 4.95277 1.89530 -227.43667 397.99748
8625.0000 -232.32011 -227.26481 5.05530 1.89032 -227.53679 395.47327
8630.0000 -231.72808 -226.63044 5.09764 1.89268 -227.48927 392.44246
8635.0000 -231.26495 -226.56725 4.69769 1.94116 -226.51577 431.68472
8640.0000 -231.51346 -226.55879 4.95467 1.92817 -226.77651 423.94156
8645.0000 -232.52328 -227.63600 4.88728 1.91414 -227.05831 413.59127
8650.0000 -231.77026 -226.69370 5.07657 1.91084 -227.12469 409.76426
8655.0000 -231.84649 -226.41428 5.43221 1.93631 -226.61308 430.95663
8660.0000 -231.76142 -226.61125 5.15018 1.92782 -226.78363 421.54303
8665.0000 -231.30158 -225.51118 5.79039 1.95932 -226.15093 446.84318
8670.0000 -231.90186 -227.24302 4.65884 1.94373 -226.46412 433.36906
8675.0000 -231.98867 -227.37516 4.61350 1.89144 -227.51413 395.18433
8680.0000 -231.52306 -227.09366 4.42940 1.91254 -227.09054 411.10372
8685.0000 -232.27151 -227.74949 4.52202 1.89088 -227.52549 394.66789
8690.0000 -231.32145 -227.19129 4.13016 1.88460 -227.65157 387.94745
8695.0000 -232.36091 -227.35297 5.00795 1.89573 -227.42804 396.69623
8700.0000 -232.40353 -227.97954 4.42400 1.86616 -228.02187 375.68808
8705.0000 -231.90889 -226.64603 5.26286 1.89490 -227.44479 397.11140
8710.0000 -232.31645 -227.43049 4.88596 1.91763 -226.98827 418.12440
8715.0000 -231.52136 -226.59221 4.92916 1.89511 -227.44062 396.48911
8720.0000 -231.48513 -226.97507 4.51006 1.94409 -226.45696 436.61114
8725.0000 -231.30415 -226.88128 4.42287 1.91582 -227.02452 410.60331
8730.0000 -232.25225 -226.45977 5.79248 1.90382 -227.26570 405.14663
8735.0000 -230.87100 -226.52624 4.34476 1.95001 -226.33799 441.22351
8740.0000 -231.72382 -226.23873 5.48509 1.94791 -226.38011 437.43836
8745.0000 -231.70139 -227.40926 4.29213 1.89903 -227.36180 400.69002
8750.0000 -231.53671 -226.53605 5.00066 1.92814 -226.77725 421.37550
FREEZING PROCESS: loop number 36 T-loop= 388.00000000000000
main_MD> interactions number 36 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32190 -1.92037 2.64771
force_rgl> df(natom) 1.87720 0.65132 -1.40812
8755.0000 -232.07273 -227.46993 4.60280 1.90990 -227.14345 407.28556
8760.0000 -231.96946 -227.30940 4.66006 1.90250 -227.29210 400.47737
8765.0000 -232.02401 -227.27187 4.75214 1.87895 -227.76508 385.61395
8770.0000 -232.64152 -228.16917 4.47236 1.88223 -227.69917 386.28778
8775.0000 -232.58936 -227.70477 4.88459 1.85406 -228.26490 365.24410
8780.0000 -232.03642 -226.95744 5.07898 1.91059 -227.12956 406.84209
8785.0000 -232.62974 -227.79585 4.83389 1.92701 -226.79989 423.18980
8790.0000 -231.79660 -227.76981 4.02680 1.88425 -227.65867 391.55230
8795.0000 -232.66848 -228.54888 4.11960 1.86406 -228.06414 371.25613
8800.0000 -232.37479 -228.54073 3.83406 1.83691 -228.60933 352.81139
8805.0000 -231.94276 -227.47409 4.46867 1.89962 -227.34999 403.39212
8810.0000 -232.07894 -227.50378 4.57516 1.89242 -227.49448 396.51988
8815.0000 -231.53519 -227.00491 4.53028 1.89902 -227.36201 398.32510
8820.0000 -232.02710 -227.70410 4.32300 1.90926 -227.15639 408.22230
8825.0000 -232.03575 -227.47238 4.56337 1.89358 -227.47123 394.70816
8830.0000 -232.78139 -228.20364 4.57774 1.86385 -228.06823 373.64023
8835.0000 -231.69982 -227.12466 4.57516 1.88758 -227.59171 393.82970
8840.0000 -232.18589 -227.17660 5.00929 1.93085 -226.72280 427.49514
8845.0000 -232.03704 -227.73810 4.29895 1.89248 -227.49332 394.68382
8850.0000 -232.69502 -227.51057 5.18445 1.90017 -227.33891 403.14363
8855.0000 -232.54791 -228.44962 4.09830 1.87843 -227.77547 386.51417
8860.0000 -232.31745 -228.23383 4.08361 1.86253 -228.09486 370.30389
8865.0000 -232.45179 -227.99193 4.45986 1.85745 -228.19687 368.63324
8870.0000 -232.04738 -227.38309 4.66429 1.87427 -227.85901 382.58296
8875.0000 -231.92820 -227.81443 4.11377 1.87298 -227.88497 379.65486
8880.0000 -232.15093 -227.61044 4.54049 1.89201 -227.50288 392.90098
8885.0000 -231.54432 -227.57718 3.96714 1.86598 -228.02551 370.89036
8890.0000 -232.30980 -228.25086 4.05894 1.90166 -227.30899 399.85191
8895.0000 -232.81182 -228.76160 4.05022 1.84744 -228.39782 358.82280
8900.0000 -232.18452 -228.47235 3.71217 1.85010 -228.34454 363.18181
8905.0000 -232.14760 -227.11577 5.03183 1.86631 -228.01896 374.96881
8910.0000 -231.71366 -227.07765 4.63600 1.90137 -227.31478 400.19412
8915.0000 -232.36408 -227.26128 5.10280 1.90789 -227.18382 408.04898
8920.0000 -232.16733 -227.73558 4.43176 1.88596 -227.62421 390.74242
8925.0000 -232.21958 -227.50984 4.70974 1.87790 -227.78622 385.71617
8930.0000 -231.91312 -227.76615 4.14697 1.89395 -227.46392 395.53781
8935.0000 -232.05061 -227.75955 4.29105 1.87142 -227.91632 378.57659
8940.0000 -232.37985 -228.24421 4.13565 1.87068 -227.93119 377.60620
8945.0000 -232.81057 -228.39988 4.41069 1.85785 -228.18890 369.85481
8950.0000 -232.84195 -228.18688 4.65506 1.86295 -228.08635 372.26695
8955.0000 -231.89468 -227.78795 4.10672 1.87848 -227.77442 385.67092
8960.0000 -231.88149 -227.41253 4.46896 1.88044 -227.73510 387.88093
8965.0000 -232.07973 -228.02305 4.05668 1.85722 -228.20141 363.28241
8970.0000 -231.45006 -227.22630 4.22376 1.89211 -227.50077 391.54142
8975.0000 -232.38964 -227.51497 4.87467 1.89891 -227.36429 401.32827
8980.0000 -232.61963 -228.58607 4.03356 1.87254 -227.89379 379.58973
8985.0000 -232.11922 -227.58873 4.53049 1.87343 -227.87595 380.98967
8990.0000 -231.69979 -226.90903 4.79076 1.91161 -227.10924 410.84672
8995.0000 -231.92314 -227.82318 4.09996 1.90321 -227.27793 401.32235
9000.0000 -231.38873 -227.58608 3.80265 1.90088 -227.32464 400.36112
FREEZING PROCESS: loop number 37 T-loop= 363.00000000000000
main_MD> interactions number 37 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.67365 -0.23922 1.90952
force_rgl> df(natom) -1.07192 -0.58456 1.17994
9005.0000 -233.03402 -228.37175 4.66228 1.86928 -227.95926 378.80064
9010.0000 -232.76303 -229.05786 3.70517 1.83743 -228.59892 350.84800
9015.0000 -232.14804 -228.03032 4.11772 1.83105 -228.72709 345.98950
9020.0000 -232.68203 -228.40015 4.28187 1.85114 -228.32349 365.63993
9025.0000 -232.38796 -227.65105 4.73690 1.84883 -228.36998 359.01194
9030.0000 -231.67585 -227.71538 3.96047 1.88976 -227.54801 391.86719
9035.0000 -232.87491 -228.24800 4.62691 1.85152 -228.31596 363.68716
9040.0000 -232.65194 -228.53231 4.11963 1.85899 -228.16584 370.14654
9045.0000 -232.67399 -227.79034 4.88365 1.86947 -227.95544 379.18688
9050.0000 -232.80178 -228.98385 3.81794 1.86406 -228.06418 371.82981
9055.0000 -232.64137 -228.28552 4.35584 1.85851 -228.17550 366.09909
9060.0000 -232.22459 -228.61642 3.60816 1.86078 -228.12998 368.20853
9065.0000 -232.04879 -228.38765 3.66114 1.84070 -228.53332 354.78523
9070.0000 -232.46112 -228.35873 4.10239 1.86068 -228.13191 370.73079
9075.0000 -232.37518 -227.90582 4.46937 1.87982 -227.74761 385.10884
9080.0000 -232.09051 -227.69029 4.40022 1.88869 -227.56952 378.16434
9085.0000 -232.35717 -227.94294 4.41424 1.86935 -227.95781 371.43260
9090.0000 -232.50779 -227.88169 4.62609 1.87519 -227.84062 381.05376
9095.0000 -233.02059 -228.80297 4.21762 1.85502 -228.24564 367.46320
9100.0000 -232.49578 -228.25016 4.24562 1.83552 -228.63728 352.06557
9105.0000 -232.56166 -228.79868 3.76298 1.84592 -228.42844 358.02244
9110.0000 -232.65185 -228.53643 4.11542 1.84183 -228.51048 355.97197
9115.0000 -233.33433 -229.26630 4.06803 1.84954 -228.35565 364.34285
9120.0000 -233.01073 -228.92866 4.08207 1.79504 -229.45015 319.25852
9125.0000 -232.92989 -229.23398 3.69591 1.82622 -228.82407 340.63205
9130.0000 -232.81574 -228.60838 4.20736 1.79590 -229.43304 316.24647
9135.0000 -232.30729 -228.33688 3.97041 1.84016 -228.54419 356.47660
9140.0000 -232.50987 -228.31351 4.19636 1.84724 -228.40196 365.24784
9145.0000 -233.71578 -229.95779 3.75799 1.82811 -228.78601 345.67165
9150.0000 -233.07147 -229.38234 3.68913 1.77316 -229.88971 300.23153
9155.0000 -232.60576 -228.43168 4.17407 1.83609 -228.62588 349.65194
9160.0000 -232.25648 -227.93956 4.31693 1.87226 -227.89943 370.80645
9165.0000 -231.84497 -227.18360 4.66138 1.90259 -227.29035 401.77606
9170.0000 -232.64418 -228.24350 4.40069 1.87535 -227.83736 381.05554
9175.0000 -232.39550 -228.58593 3.80957 1.82272 -228.89442 340.73723
9180.0000 -231.88540 -227.83843 4.04696 1.85043 -228.33790 365.61357
9185.0000 -232.40811 -227.91145 4.49666 1.86874 -227.97020 379.25000
9190.0000 -232.50352 -228.34938 4.15414 1.85913 -228.16309 366.27694
9195.0000 -232.91641 -228.77187 4.14454 1.82270 -228.89482 340.07363
9200.0000 -232.94962 -228.79775 4.15187 1.84873 -228.37203 362.71779
9205.0000 -232.72908 -229.00026 3.72881 1.82162 -228.91652 343.30514
9210.0000 -232.83022 -228.38570 4.44453 1.81922 -228.96471 336.98111
9215.0000 -233.57040 -229.17325 4.39715 1.82406 -228.86751 343.48467
9220.0000 -233.18871 -229.20974 3.97897 1.81594 -229.03052 334.38198
9225.0000 -232.56745 -227.96958 4.59787 1.84044 -228.53837 355.02314
9230.0000 -232.62540 -228.01351 4.61188 1.86748 -227.99546 379.75035
9235.0000 -231.68438 -227.01328 4.67110 1.89778 -227.38693 400.93832
9240.0000 -231.26105 -227.17351 4.08754 1.89890 -227.36451 399.63944
9245.0000 -232.40960 -227.84826 4.56134 1.87580 -227.82837 383.01265
9250.0000 -232.37700 -228.09780 4.27920 1.88861 -227.57101 396.67361
FREEZING PROCESS: loop number 38 T-loop= 338.00000000000000
main_MD> interactions number 38 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00769 1.40144 0.57862
force_rgl> df(natom) 2.63959 -0.94151 -1.62133
9255.0000 -232.82189 -228.86401 3.95789 1.83949 -228.55749 353.16481
9260.0000 -232.91094 -228.58318 4.32776 1.82080 -228.93280 340.18461
9265.0000 -232.53028 -228.52494 4.00534 1.83452 -228.65737 352.91135
9270.0000 -232.86187 -228.57418 4.28769 1.83110 -228.72612 350.22824
9275.0000 -233.29945 -229.81120 3.48825 1.80756 -229.19882 327.12458
9280.0000 -232.67841 -228.73549 3.94292 1.81927 -228.96366 337.10093
9285.0000 -232.93999 -229.06644 3.87355 1.82710 -228.80642 345.69340
9290.0000 -232.96751 -229.16741 3.80010 1.81475 -229.05434 336.97299
9295.0000 -233.44468 -229.50104 3.94364 1.79965 -229.35766 321.59815
9300.0000 -233.13702 -228.90637 4.23065 1.81135 -229.12263 332.30962
9305.0000 -233.24142 -229.18266 4.05876 1.82167 -228.91532 342.22228
9310.0000 -233.12086 -229.07044 4.05043 1.80160 -229.31848 323.39380
9315.0000 -232.66127 -229.39478 3.26649 1.80473 -229.25562 327.90358
9320.0000 -233.26783 -230.12154 3.14628 1.78217 -229.70863 308.09825
9325.0000 -232.82371 -229.28264 3.54107 1.78899 -229.57178 315.61958
9330.0000 -232.67929 -228.67089 4.00840 1.81972 -228.95462 334.57512
9335.0000 -232.61010 -228.15035 4.45975 1.85227 -228.30085 362.62239
9340.0000 -233.16906 -228.40403 4.76503 1.84702 -228.40630 357.33613
9345.0000 -232.60847 -227.96902 4.63945 1.85443 -228.25757 365.96953
9350.0000 -233.53342 -229.32390 4.20952 1.83078 -228.73252 350.31969
9355.0000 -233.79276 -229.85684 3.93591 1.78703 -229.61104 313.67095
9360.0000 -233.20805 -229.32077 3.88728 1.79821 -229.38654 321.71432
9365.0000 -233.41421 -229.35567 4.05854 1.81971 -228.95475 340.21526
9370.0000 -233.74812 -230.03286 3.71527 1.79977 -229.35515 323.80559
9375.0000 -232.40531 -228.67393 3.73138 1.80627 -229.22466 326.82447
9380.0000 -232.66223 -228.39555 4.26668 1.83786 -228.59020 355.62862
9385.0000 -232.86487 -228.86374 4.00114 1.81498 -229.04975 333.56080
9390.0000 -232.78452 -229.12618 3.65834 1.82229 -228.90299 340.25535
9395.0000 -233.03109 -229.01611 4.01498 1.80229 -229.30472 324.74070
9400.0000 -232.79758 -228.55448 4.24310 1.84119 -228.52335 352.72416
9405.0000 -232.52230 -228.13461 4.38770 1.85110 -228.32448 361.84833
9410.0000 -232.43649 -228.65815 3.77834 1.84356 -228.47583 360.32438
9415.0000 -232.36563 -228.65592 3.70971 1.82761 -228.79605 346.36734
9420.0000 -232.66980 -229.52618 3.14362 1.80644 -229.22120 332.02588
9425.0000 -232.99865 -229.09692 3.90173 1.79189 -229.51340 321.50464
9430.0000 -232.61376 -228.76459 3.84917 1.83814 -228.58456 355.98307
9435.0000 -232.40968 -228.61917 3.79051 1.81684 -229.01240 336.48925
9440.0000 -232.49427 -228.46771 4.02656 1.83490 -228.64975 350.20056
9445.0000 -232.55448 -228.99188 3.56259 1.83714 -228.60465 350.52289
9450.0000 -233.18331 -229.19050 3.99281 1.80966 -229.15655 333.22938
9455.0000 -232.84279 -228.61936 4.22342 1.81563 -229.03672 336.71174
9460.0000 -233.60411 -229.61281 3.99130 1.81133 -229.12308 331.14374
9465.0000 -232.57064 -229.09995 3.47069 1.81921 -228.96483 339.42149
9470.0000 -232.35731 -228.60763 3.74968 1.81261 -229.09733 335.77741
9475.0000 -233.16700 -228.96127 4.20573 1.82540 -228.84059 343.54138
9480.0000 -232.54417 -229.02119 3.52298 1.81735 -229.00228 334.42653
9485.0000 -232.72455 -228.95568 3.76886 1.82689 -228.81055 345.01267
9490.0000 -232.83102 -228.81792 4.01310 1.82092 -228.93055 339.04693
9495.0000 -233.23964 -229.19947 4.04017 1.82096 -228.92960 340.56064
9500.0000 -232.76127 -229.32389 3.43738 1.79635 -229.42386 319.28178
FREEZING PROCESS: loop number 39 T-loop= 313.00000000000000
main_MD> interactions number 39 at Temperature= 313.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.77039 0.04246 0.09013
force_rgl> df(natom) 2.40457 1.00458 -3.64755
9505.0000 -233.26418 -229.38371 3.88047 1.79674 -229.41609 317.73113
9510.0000 -233.71621 -230.41657 3.29963 1.78216 -229.70898 311.36870
9515.0000 -233.47185 -230.14208 3.32977 1.74970 -230.36084 287.93490
9520.0000 -233.13677 -229.55264 3.58412 1.76887 -229.97584 294.26052
9525.0000 -232.74871 -228.79394 3.95477 1.80399 -229.27045 323.38350
9530.0000 -232.64075 -228.65374 3.98701 1.81547 -229.03984 333.41266
9535.0000 -233.54846 -229.02807 4.52039 1.81869 -228.97534 336.76684
9540.0000 -233.03328 -229.46716 3.56612 1.80726 -229.20487 328.07450
9545.0000 -233.60464 -229.66319 3.94146 1.79134 -229.52445 317.05930
9550.0000 -233.17988 -229.81435 3.36553 1.78491 -229.65372 311.73418
9555.0000 -232.64552 -229.22911 3.41640 1.79056 -229.54012 317.00752
9560.0000 -232.98167 -229.84761 3.13406 1.80161 -229.31825 324.12525
9565.0000 -233.66279 -230.48641 3.17638 1.78154 -229.72136 306.70494
9570.0000 -233.29583 -230.00678 3.28905 1.74500 -230.45524 279.29576
9575.0000 -233.32740 -229.34480 3.98260 1.79393 -229.47255 316.00729
9580.0000 -232.99793 -229.75405 3.24388 1.79015 -229.54842 314.15661
9585.0000 -233.63197 -230.06395 3.56802 1.76545 -230.04441 296.18303
9590.0000 -233.11170 -229.32083 3.79087 1.78073 -229.73766 307.57867
9595.0000 -232.68336 -229.62988 3.05348 1.77394 -229.87393 300.19009
9600.0000 -233.46080 -229.70070 3.76010 1.79852 -229.38037 318.32262
9605.0000 -234.01111 -231.02570 2.98541 1.75197 -230.31524 282.81073
9610.0000 -233.25561 -229.73082 3.52479 1.75649 -230.22434 287.01802
9615.0000 -233.39114 -229.49411 3.89703 1.78492 -229.65342 311.00678
9620.0000 -233.46845 -229.77323 3.69522 1.78944 -229.56270 313.86184
9625.0000 -233.31466 -230.02199 3.29268 1.77371 -229.87862 303.18866
9630.0000 -233.27787 -229.97629 3.30158 1.76521 -230.04928 297.31871
9635.0000 -233.47840 -230.43385 3.04456 1.76038 -230.14634 290.05018
9640.0000 -232.90115 -228.91913 3.98202 1.79265 -229.49819 313.41009
9645.0000 -232.73771 -228.55464 4.18307 1.84707 -228.40538 350.19540
9650.0000 -232.73138 -229.43084 3.30054 1.82139 -228.92114 341.18321
9655.0000 -232.84186 -229.23747 3.60439 1.78581 -229.63566 310.32446
9660.0000 -233.02638 -229.24735 3.77902 1.79692 -229.41249 320.78152
9665.0000 -233.92491 -230.15022 3.77469 1.78422 -229.66746 310.67235
9670.0000 -233.27705 -229.95216 3.32489 1.76291 -230.09555 294.34037
9675.0000 -232.76936 -229.53121 3.23815 1.77059 -229.94121 297.24932
9680.0000 -233.01750 -229.22267 3.79483 1.78977 -229.55597 312.18958
9685.0000 -233.63464 -230.14391 3.49073 1.78806 -229.59035 313.26644
9690.0000 -233.74672 -229.55016 4.19657 1.79667 -229.41742 319.02221
9695.0000 -233.07852 -230.26754 2.81098 1.78140 -229.72425 306.31349
9700.0000 -233.56196 -229.66585 3.89610 1.76671 -230.01911 299.09988
9705.0000 -233.24549 -229.95507 3.29042 1.78204 -229.71139 308.07391
9710.0000 -233.26015 -229.57535 3.68480 1.79486 -229.45379 319.81818
9715.0000 -233.66304 -229.46057 4.20247 1.79094 -229.53254 318.60844
9720.0000 -232.87812 -229.36005 3.51807 1.79565 -229.43789 318.52537
9725.0000 -233.48189 -229.47606 4.00582 1.79606 -229.42979 319.27818
9730.0000 -232.91123 -229.17212 3.73912 1.79532 -229.44458 319.62919
9735.0000 -233.67528 -230.04699 3.62829 1.79093 -229.53276 308.87724
9740.0000 -233.47058 -230.04046 3.43012 1.76826 -229.98807 295.57228
9745.0000 -233.42381 -229.45298 3.97083 1.77555 -229.84162 302.81777
9750.0000 -233.35132 -229.58242 3.76890 1.78122 -229.72780 307.04568
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 17 [min], 43.9295631 [s].
main_MD> Deallocating global variables
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