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nanoparticlesims/growth_Melting_Silver_ICO_2451/freezeSims/run_81/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_81.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 = 81 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1900
main_MD> Size of nv and nvoiz: 81 8100
main_MD> Size of nv and nvoiz: 81 8100
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 = 81
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 9.8133097474589509E-002 -5.1577780582913804E-002 -0.13696106232239888 initial drift of cluster / NP1 for coalescence
init> 0.34634073541281052 0.35752499049388042 0.32278408918578527 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8171229624730557E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73355 -1.77219 -0.86640
force_rgl> df(natom) 4.10014 -0.59351 -1.80744
preparo> THERMALIZATION PROCESS AT 1263.4756563670605
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -176.79707746870875 14.604933515927337 -191.40201098463609 7.0030662017101549E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 38
FREEZING PROCESS: loop number 1 T-loop= 1239.0000000000000
main_MD> interactions number 1 at Temperature= 1239.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.81806 5.04808 4.16997
force_rgl> df(natom) 0.87703 0.61229 -1.01463
5.0000 -190.26474 -177.35043 12.91431 3.25993 -177.92156 1200.28426
10.0000 -190.69703 -177.85982 12.83720 3.29516 -177.26218 1249.62814
15.0000 -190.60065 -179.43105 11.16960 3.22592 -178.55833 1189.54149
20.0000 -193.12202 -181.52596 11.59606 3.14581 -180.05801 1136.73609
25.0000 -190.57633 -176.69687 13.87946 3.16403 -179.71703 1170.61097
30.0000 -188.82238 -176.52228 12.30009 3.27831 -177.57765 1256.91790
35.0000 -186.92777 -174.18387 12.74390 3.38574 -175.56643 1283.17910
40.0000 -188.21212 -175.40208 12.81004 3.47182 -173.95489 1341.24530
45.0000 -188.53599 -175.27963 13.25636 3.40600 -175.18702 1338.74853
50.0000 -188.90602 -177.50344 11.40259 3.38445 -175.59052 1325.43100
55.0000 -187.65743 -174.46224 13.19519 3.30384 -177.09961 1261.43228
60.0000 -188.95538 -173.57272 15.38266 3.43398 -174.66323 1341.56008
65.0000 -189.57101 -175.77420 13.79682 3.45642 -174.24317 1322.19959
70.0000 -191.06278 -177.42570 13.63708 3.33116 -176.58818 1267.08268
75.0000 -191.12268 -178.72716 12.39552 3.31290 -176.93001 1285.89276
80.0000 -191.91355 -177.10847 14.80508 3.12103 -180.52203 1154.72311
85.0000 -190.00171 -176.51989 13.48182 3.33212 -176.57011 1260.89537
90.0000 -191.56441 -178.92747 12.63694 3.27074 -177.71931 1229.95359
95.0000 -188.86155 -175.67987 13.18168 3.28504 -177.45164 1252.76931
100.0000 -187.61053 -173.74414 13.86638 3.41150 -175.08412 1342.95489
105.0000 -187.55223 -175.39176 12.16048 3.43177 -174.70459 1353.26294
110.0000 -190.17423 -176.34427 13.82996 3.25786 -177.96034 1230.39443
115.0000 -190.37127 -178.52409 11.84718 3.29271 -177.30800 1280.04878
120.0000 -191.60149 -178.71389 12.88760 3.15815 -179.82704 1175.40830
125.0000 -190.57274 -178.53135 12.04140 3.23040 -178.47452 1205.95521
130.0000 -188.78158 -173.85631 14.92527 3.33497 -176.51690 1277.75061
135.0000 -188.51033 -176.46274 12.04759 3.41980 -174.92877 1342.45967
140.0000 -188.47501 -175.16190 13.31311 3.40026 -175.29450 1284.63811
145.0000 -188.99807 -174.99444 14.00364 3.38000 -175.67380 1291.37098
150.0000 -190.94951 -176.28881 14.66070 3.38207 -175.63510 1327.39631
155.0000 -190.69964 -179.26619 11.43345 3.27236 -177.68888 1227.46584
160.0000 -188.97210 -175.53515 13.43696 3.28891 -177.37910 1245.77718
165.0000 -189.86730 -177.70292 12.16439 3.36694 -175.91840 1247.85259
170.0000 -193.33375 -180.22869 13.10506 3.25607 -177.99391 1219.05547
175.0000 -191.66729 -179.55851 12.10878 3.17002 -179.60490 1153.14093
180.0000 -191.22499 -177.69813 13.52686 3.23530 -178.38283 1206.18024
185.0000 -192.35006 -177.10835 15.24171 3.18549 -179.31516 1187.15202
190.0000 -192.29579 -180.67091 11.62487 3.23938 -178.30642 1210.41141
195.0000 -193.45854 -181.75037 11.70817 3.11331 -180.66658 1152.91086
200.0000 -191.60029 -179.25700 12.34329 3.18692 -179.28850 1163.57675
205.0000 -190.67591 -176.73864 13.93727 3.23234 -178.43810 1197.60460
210.0000 -190.93612 -176.99519 13.94094 3.29808 -177.20742 1262.73587
215.0000 -188.94900 -177.94434 11.00466 3.31462 -176.89776 1267.02319
220.0000 -191.70512 -178.78505 12.92007 3.30356 -177.10480 1264.71537
225.0000 -190.14824 -177.19802 12.95022 3.24648 -178.17340 1217.65236
230.0000 -191.57071 -176.48392 15.08679 3.30337 -177.10848 1260.07835
235.0000 -188.76029 -173.02266 15.73764 3.38362 -175.60615 1269.13095
240.0000 -188.63947 -174.96257 13.67690 3.53352 -172.79979 1432.74917
245.0000 -191.37552 -176.16477 15.21074 3.41114 -175.09089 1341.37968
250.0000 -191.60251 -174.75836 16.84415 3.37318 -175.80158 1294.27019
FREEZING PROCESS: loop number 2 T-loop= 1214.0000000000000
main_MD> interactions number 2 at Temperature= 1214.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.50568 0.74378 0.97630
force_rgl> df(natom) 0.71566 -1.55577 -1.14063
255.0000 -192.13799 -179.27751 12.86048 3.29729 -177.22221 1302.91825
260.0000 -194.43022 -179.96445 14.46576 3.18444 -179.33491 1197.29712
265.0000 -191.08217 -176.46875 14.61343 3.18878 -179.25355 1188.62318
270.0000 -190.12009 -176.93477 13.18531 3.37269 -175.81069 1327.96146
275.0000 -190.99109 -176.98627 14.00482 3.25900 -177.93901 1241.01031
280.0000 -188.23563 -174.94705 13.28858 3.35130 -176.21121 1295.73277
285.0000 -189.57287 -176.50612 13.06675 3.39507 -175.39170 1313.18672
290.0000 -189.22948 -176.54884 12.68064 3.33063 -176.59819 1271.30580
295.0000 -193.14605 -180.88782 12.25823 3.23331 -178.42002 1215.87914
300.0000 -190.69643 -178.85870 11.83773 3.14845 -180.00858 1155.39512
305.0000 -191.02723 -178.59564 12.43159 3.24720 -178.16006 1194.68780
310.0000 -189.22827 -175.58806 13.64021 3.22586 -178.55948 1244.51065
315.0000 -189.69683 -177.40368 12.29315 3.31881 -176.81929 1266.23093
320.0000 -193.13906 -179.68892 13.45015 3.24999 -178.10776 1205.95167
325.0000 -191.40518 -177.61229 13.79289 3.18934 -179.24319 1194.65536
330.0000 -190.26997 -178.63868 11.63129 3.18630 -179.30003 1200.27859
335.0000 -191.25831 -178.16022 13.09809 3.28109 -177.52552 1240.97780
340.0000 -189.03584 -175.18001 13.85583 3.28857 -177.38556 1258.39846
345.0000 -190.27743 -177.39790 12.87953 3.25806 -177.95669 1232.37084
350.0000 -188.64308 -175.31140 13.33168 3.39661 -175.36292 1324.20292
355.0000 -192.43274 -180.17071 12.26203 3.28280 -177.49357 1217.62229
360.0000 -192.48217 -181.13181 11.35036 3.08976 -181.10744 1111.60795
365.0000 -191.28271 -179.09961 12.18310 3.08988 -181.10504 1143.97743
370.0000 -188.57775 -177.46765 11.11011 3.24929 -178.12090 1223.11300
375.0000 -190.47392 -176.90715 13.56676 3.28452 -177.46138 1240.62330
380.0000 -189.82350 -176.73495 13.08855 3.25506 -178.01285 1233.04548
385.0000 -192.14590 -177.84990 14.29600 3.32214 -176.75695 1269.50605
390.0000 -191.40987 -179.21260 12.19728 3.25263 -178.05841 1211.46905
395.0000 -190.74393 -178.16078 12.58315 3.20865 -178.88172 1188.74934
400.0000 -190.44017 -176.67141 13.76876 3.33931 -176.43552 1292.43776
405.0000 -189.06298 -173.84939 15.21358 3.39881 -175.32173 1323.88040
410.0000 -190.95682 -179.94059 11.01623 3.29831 -177.20323 1253.35978
415.0000 -193.68201 -180.71447 12.96754 3.15202 -179.94172 1172.37579
420.0000 -190.78938 -179.03566 11.75372 3.15583 -179.87042 1152.61062
425.0000 -190.90556 -179.02594 11.87962 3.20191 -179.00781 1214.01542
430.0000 -188.97424 -175.32566 13.64859 3.32195 -176.76059 1246.00416
435.0000 -191.09967 -176.60391 14.49576 3.29301 -177.30243 1237.08483
440.0000 -192.76690 -179.24939 13.51751 3.23744 -178.34260 1212.70892
445.0000 -192.20200 -178.71112 13.49088 3.20920 -178.87145 1222.67323
450.0000 -190.42820 -178.89871 11.52949 3.18964 -179.23747 1174.23169
455.0000 -192.54453 -179.03563 13.50891 3.14255 -180.11905 1167.12309
460.0000 -191.10491 -178.98636 12.11855 3.18247 -179.37169 1201.91838
465.0000 -192.58519 -178.71664 13.86855 3.23325 -178.42107 1237.60209
470.0000 -191.51952 -178.28824 13.23128 3.23194 -178.44563 1205.57476
475.0000 -191.41984 -177.64889 13.77095 3.22960 -178.48948 1216.80893
480.0000 -192.59336 -180.15806 12.43530 3.20774 -178.89867 1192.05569
485.0000 -191.35005 -179.17719 12.17286 3.20979 -178.86038 1162.33633
490.0000 -189.92098 -177.97607 11.94491 3.22937 -178.49372 1197.70096
495.0000 -191.57656 -176.47245 15.10411 3.31220 -176.94317 1232.20653
500.0000 -192.36073 -180.27931 12.08142 3.19674 -179.10453 1203.12652
FREEZING PROCESS: loop number 3 T-loop= 1189.0000000000000
main_MD> interactions number 3 at Temperature= 1189.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49558 3.45590 2.13512
force_rgl> df(natom) -1.00772 0.75450 1.32799
505.0000 -190.64428 -178.28571 12.35857 3.18762 -179.27532 1166.33914
510.0000 -191.96986 -180.89700 11.07286 3.20260 -178.99499 1195.46882
515.0000 -191.17964 -179.98512 11.19452 3.12614 -180.42638 1136.68542
520.0000 -192.34849 -178.94174 13.40675 3.14825 -180.01247 1150.15927
525.0000 -189.22565 -174.36734 14.85832 3.33864 -176.44811 1298.38263
530.0000 -191.40923 -179.15115 12.25808 3.33039 -176.60252 1263.39432
535.0000 -192.96190 -180.22785 12.73405 3.21099 -178.83776 1184.53612
540.0000 -193.80977 -181.20954 12.60023 3.14907 -179.99705 1160.60640
545.0000 -193.81126 -181.14317 12.66809 3.06327 -181.60325 1129.21950
550.0000 -191.49260 -178.98536 12.50724 3.08987 -181.10523 1130.59680
555.0000 -190.00374 -176.84984 13.15391 3.28035 -177.53937 1252.69066
560.0000 -190.70515 -179.03602 11.66913 3.24553 -178.19115 1230.66810
565.0000 -191.72208 -178.98897 12.73312 3.18654 -179.29565 1190.15692
570.0000 -189.72994 -176.40201 13.32793 3.32261 -176.74827 1299.48525
575.0000 -191.82765 -178.28515 13.54250 3.28611 -177.43160 1230.81272
580.0000 -191.77909 -178.96564 12.81345 3.25869 -177.94483 1243.46916
585.0000 -191.66641 -178.14433 13.52208 3.24502 -178.20071 1218.01107
590.0000 -190.27438 -178.08280 12.19158 3.17127 -179.58150 1214.39449
595.0000 -190.93463 -178.74816 12.18647 3.15651 -179.85777 1158.71005
600.0000 -190.89605 -178.42665 12.46941 3.17449 -179.52109 1139.85431
605.0000 -191.94708 -178.96734 12.97975 3.20767 -178.90004 1196.11958
610.0000 -191.90559 -180.45714 11.44845 3.15651 -179.85776 1153.16122
615.0000 -192.12028 -178.27044 13.84984 3.17435 -179.52385 1182.04016
620.0000 -190.85558 -177.19530 13.66027 3.28415 -177.46832 1229.28590
625.0000 -191.12837 -177.19185 13.93653 3.27239 -177.68837 1251.94854
630.0000 -193.16549 -181.19504 11.97046 3.20689 -178.91468 1150.32303
635.0000 -192.39915 -181.45974 10.93941 3.07526 -181.37876 1131.27083
640.0000 -191.52334 -179.60008 11.92326 3.19566 -179.12484 1187.29787
645.0000 -190.34733 -179.06670 11.28064 3.15905 -179.81026 1154.80805
650.0000 -189.43622 -176.42928 13.00694 3.25205 -178.06922 1179.94705
655.0000 -191.96539 -180.42556 11.53983 3.27869 -177.57043 1241.28063
660.0000 -190.37191 -178.74866 11.62325 3.16515 -179.69598 1192.12994
665.0000 -193.08088 -181.09314 11.98775 3.13999 -180.16709 1144.75168
670.0000 -193.38911 -181.58761 11.80150 3.09213 -181.06300 1100.83913
675.0000 -190.31457 -178.36393 11.95065 3.09274 -181.05153 1117.00738
680.0000 -192.08503 -180.73972 11.34532 3.21206 -178.81779 1175.07162
685.0000 -192.53698 -179.76318 12.77380 3.17477 -179.51590 1168.42459
690.0000 -192.25421 -178.75136 13.50285 3.21289 -178.80236 1216.17576
695.0000 -190.13882 -179.07194 11.06689 3.19835 -179.07456 1178.47054
700.0000 -188.53669 -175.11497 13.42172 3.28872 -177.38265 1273.38016
705.0000 -192.03778 -178.92585 13.11192 3.29627 -177.24133 1214.44069
710.0000 -189.81338 -177.00343 12.80995 3.26270 -177.86971 1213.33824
715.0000 -190.00938 -176.78013 13.22925 3.31000 -176.98422 1256.80237
720.0000 -192.27110 -180.05009 12.22101 3.22952 -178.49086 1213.35890
725.0000 -192.48246 -180.99586 11.48661 3.10633 -180.79713 1118.27766
730.0000 -193.81593 -182.01712 11.79880 3.07895 -181.30974 1109.31917
735.0000 -193.92003 -180.42375 13.49628 3.06076 -181.65024 1114.10818
740.0000 -191.24878 -178.96594 12.28284 3.21016 -178.85346 1226.11574
745.0000 -192.28207 -179.68919 12.59287 3.17947 -179.42788 1185.14766
750.0000 -189.49222 -177.25375 12.23847 3.28396 -177.47185 1219.77557
FREEZING PROCESS: loop number 4 T-loop= 1164.0000000000000
main_MD> interactions number 4 at Temperature= 1164.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92881 2.66252 2.25108
force_rgl> df(natom) -2.70159 2.58006 0.53956
755.0000 -190.31762 -176.63388 13.68374 3.27027 -177.72802 1244.38116
760.0000 -187.41969 -173.98205 13.43764 3.36741 -175.90949 1288.65974
765.0000 -190.95380 -177.64515 13.30865 3.37169 -175.82945 1302.89750
770.0000 -189.43418 -177.19703 12.23714 3.34272 -176.37167 1259.15602
775.0000 -193.30140 -180.66580 12.63560 3.20226 -179.00129 1177.53303
780.0000 -191.64800 -179.24229 12.40572 3.12619 -180.42534 1146.72095
785.0000 -191.78595 -179.82232 11.96363 3.20717 -178.90932 1191.73213
790.0000 -193.43989 -181.38550 12.05439 3.05789 -181.70396 1117.50096
795.0000 -189.23391 -176.83327 12.40064 3.23008 -178.48043 1220.13105
800.0000 -189.41836 -177.57540 11.84296 3.34574 -176.31517 1316.96159
805.0000 -191.51864 -179.28871 12.22993 3.32016 -176.79408 1235.69690
810.0000 -195.02076 -183.47571 11.54505 3.11348 -180.66331 1140.10140
815.0000 -193.25704 -180.54803 12.70901 3.01614 -182.48552 1037.42030
820.0000 -190.57682 -179.57760 10.99922 3.13870 -180.19117 1160.81404
825.0000 -191.18705 -179.72297 11.46407 3.18915 -179.24676 1180.15360
830.0000 -191.39440 -178.65379 12.74061 3.19003 -179.23023 1202.99933
835.0000 -190.37231 -179.33307 11.03925 3.17165 -179.57438 1132.36922
840.0000 -193.02922 -181.83069 11.19853 3.14871 -180.00374 1167.29901
845.0000 -192.24711 -181.45724 10.78987 3.10861 -180.75447 1135.54742
850.0000 -195.19397 -181.50599 13.68799 3.02305 -182.35620 1104.75793
855.0000 -192.08052 -179.61585 12.46467 3.15744 -179.84043 1166.76789
860.0000 -190.83999 -179.90579 10.93420 3.12007 -180.53986 1150.87705
865.0000 -192.21650 -180.61342 11.60309 3.12442 -180.45847 1115.82021
870.0000 -193.07824 -181.19066 11.88758 3.06457 -181.57901 1095.68517
875.0000 -192.69611 -182.70631 9.98979 2.99391 -182.90170 1076.41836
880.0000 -194.48147 -181.89731 12.58416 2.99087 -182.95858 1078.92507
885.0000 -196.00786 -184.41877 11.58909 2.99573 -182.86766 1093.78939
890.0000 -192.73467 -181.90229 10.83238 2.97063 -183.33754 1042.40698
895.0000 -194.89243 -184.79488 10.09756 2.97550 -183.24645 1080.40240
900.0000 -191.71623 -181.37778 10.33844 2.95464 -183.63688 1019.18983
905.0000 -193.61449 -181.92669 11.68781 3.01394 -182.52668 1071.96959
910.0000 -194.65554 -181.29567 13.35987 3.06007 -181.66309 1083.70979
915.0000 -190.82001 -179.34662 11.47339 3.20465 -178.95646 1216.52309
920.0000 -190.35380 -177.93302 12.42078 3.19943 -179.05431 1204.39937
925.0000 -188.62908 -177.73470 10.89438 3.28573 -177.43859 1240.20525
930.0000 -191.46970 -177.50043 13.96927 3.33602 -176.49725 1290.68469
935.0000 -191.41055 -180.18357 11.22698 3.21317 -178.79707 1222.27563
940.0000 -191.96207 -178.92957 13.03249 3.18535 -179.31778 1173.78970
945.0000 -188.58909 -178.24472 10.34437 3.24351 -178.22908 1195.43722
950.0000 -190.04375 -178.41092 11.63283 3.21935 -178.68134 1197.00228
955.0000 -190.39714 -175.90692 14.49022 3.26525 -177.82207 1219.24321
960.0000 -187.44380 -176.45578 10.98802 3.42682 -174.79734 1339.45665
965.0000 -191.70488 -178.06996 13.63493 3.34950 -176.24480 1284.62769
970.0000 -189.73490 -179.01003 10.72487 3.24002 -178.29440 1191.42032
975.0000 -191.08055 -178.13585 12.94471 3.22416 -178.59127 1240.00919
980.0000 -190.59710 -175.98685 14.61025 3.32292 -176.74248 1276.96769
985.0000 -190.20481 -179.00711 11.19770 3.22288 -178.61519 1177.97829
990.0000 -192.70364 -181.55606 11.14758 3.14941 -179.99059 1143.08044
995.0000 -193.24705 -180.68470 12.56235 3.04125 -182.01556 1110.80090
1000.0000 -194.25877 -179.30929 14.94948 3.15781 -179.83343 1183.00145
FREEZING PROCESS: loop number 5 T-loop= 1139.0000000000000
main_MD> interactions number 5 at Temperature= 1139.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81139 -1.43769 -1.72183
force_rgl> df(natom) 1.56292 -1.54005 4.88872
1005.0000 -192.60260 -181.87891 10.72369 3.15905 -179.81023 1180.26347
1010.0000 -192.23638 -179.86240 12.37398 3.08187 -181.25499 1126.85840
1015.0000 -192.25126 -178.58464 13.66662 3.20048 -179.03459 1167.36149
1020.0000 -190.33972 -178.13508 12.20463 3.22238 -178.62469 1202.30942
1025.0000 -193.81797 -179.61667 14.20129 3.14192 -180.13089 1170.41175
1030.0000 -191.76035 -179.19539 12.56495 3.17100 -179.58658 1159.43699
1035.0000 -193.72674 -182.71424 11.01250 2.99726 -182.83895 1074.14558
1040.0000 -193.36249 -182.11686 11.24563 3.00875 -182.62390 1070.37612
1045.0000 -191.85097 -179.35410 12.49687 3.11478 -180.63903 1135.04118
1050.0000 -192.34239 -180.19047 12.15193 3.17945 -179.42827 1189.90034
1055.0000 -191.35517 -181.87365 9.48152 3.08281 -181.23748 1116.33889
1060.0000 -190.45409 -175.61062 14.84347 3.19166 -179.19964 1204.46041
1065.0000 -188.98599 -176.45581 12.53019 3.34439 -176.34054 1300.93877
1070.0000 -190.31454 -178.73250 11.58204 3.26293 -177.86554 1249.37465
1075.0000 -190.98902 -179.15985 11.82916 3.25177 -178.07450 1217.84309
1080.0000 -192.38798 -179.03760 13.35038 3.24092 -178.27748 1190.97091
1085.0000 -192.13537 -179.72951 12.40586 3.17210 -179.56591 1179.79767
1090.0000 -192.38262 -182.55149 9.83114 3.12298 -180.48537 1157.02486
1095.0000 -193.30038 -181.22218 12.07821 3.07291 -181.42274 1102.22232
1100.0000 -191.24314 -178.46530 12.77784 3.14593 -180.05584 1135.01746
1105.0000 -190.38404 -178.71307 11.67097 3.16276 -179.74069 1142.97076
1110.0000 -192.80950 -181.76484 11.04466 3.18347 -179.35299 1184.67432
1115.0000 -191.24415 -179.15795 12.08620 3.09768 -180.95917 1103.11002
1120.0000 -192.54365 -182.01292 10.53073 3.12042 -180.53341 1114.97849
1125.0000 -192.70378 -180.89263 11.81115 3.12523 -180.44330 1153.05274
1130.0000 -195.39335 -183.79207 11.60128 3.01052 -182.59077 1088.83095
1135.0000 -193.41357 -182.49984 10.91373 2.97157 -183.31990 1043.99394
1140.0000 -193.48916 -183.57629 9.91287 3.01575 -182.49292 1073.94473
1145.0000 -195.15485 -182.77750 12.37736 3.02740 -182.27485 1082.89741
1150.0000 -193.24589 -180.97600 12.26990 3.02738 -182.27526 1063.41208
1155.0000 -191.38719 -179.54325 11.84394 3.12558 -180.43681 1161.59185
1160.0000 -191.12587 -177.70129 13.42459 3.21306 -178.79917 1177.63529
1165.0000 -191.94166 -181.64954 10.29213 3.11398 -180.65399 1119.96618
1170.0000 -192.28395 -180.35675 11.92720 3.03758 -182.08430 1096.70338
1175.0000 -191.40879 -177.69474 13.71404 3.22078 -178.65451 1182.09152
1180.0000 -193.66531 -182.76862 10.89669 3.18053 -179.40815 1209.22269
1185.0000 -193.09640 -181.28306 11.81333 3.05645 -181.73092 1116.34925
1190.0000 -193.36464 -181.42452 11.94012 3.06061 -181.65312 1091.03185
1195.0000 -194.06532 -181.90022 12.16510 3.02039 -182.40602 1076.99949
1200.0000 -193.38460 -179.78810 13.59650 3.12122 -180.51849 1159.27688
1205.0000 -192.58967 -179.30091 13.28876 3.18722 -179.28286 1175.61080
1210.0000 -191.75813 -180.41484 11.34329 3.10518 -180.81863 1129.36916
1215.0000 -191.67163 -178.52906 13.14257 3.14140 -180.14055 1095.61804
1220.0000 -193.82464 -182.67074 11.15390 3.15081 -179.96455 1154.69892
1225.0000 -193.81215 -182.05308 11.75907 3.02165 -182.38235 1084.67802
1230.0000 -193.18578 -182.93399 10.25179 3.06413 -181.58712 1113.91380
1235.0000 -192.22994 -181.81515 10.41480 2.98550 -183.05927 1038.41929
1240.0000 -190.66464 -179.31994 11.34470 3.13729 -180.21764 1171.02425
1245.0000 -190.37919 -178.10152 12.27767 3.21734 -178.71891 1187.14574
1250.0000 -193.52899 -182.09468 11.43432 3.15708 -179.84716 1156.76110
FREEZING PROCESS: loop number 6 T-loop= 1114.0000000000000
main_MD> interactions number 6 at Temperature= 1114.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45918 4.53326 2.22912
force_rgl> df(natom) -0.69898 2.19779 -2.59113
1255.0000 -191.86780 -180.46084 11.40696 3.07940 -181.30135 1107.26967
1260.0000 -195.28130 -181.36296 13.91834 3.12193 -180.50517 1124.20951
1265.0000 -194.19589 -182.89143 11.30446 2.99351 -182.90923 1089.42923
1270.0000 -193.36986 -181.00135 12.36850 3.04332 -181.97672 1102.86266
1275.0000 -194.52744 -184.11641 10.41104 3.05182 -181.81771 1085.13559
1280.0000 -193.90739 -184.02772 9.87967 2.98623 -183.04558 1062.07459
1285.0000 -191.70953 -181.76882 9.94071 3.00681 -182.66031 1084.23499
1290.0000 -193.08547 -180.54046 12.54500 3.09634 -180.98416 1125.88920
1295.0000 -193.97453 -182.92590 11.04863 3.01036 -182.59372 1099.26007
1300.0000 -193.39625 -182.10751 11.28874 2.98938 -182.98650 1058.34791
1305.0000 -194.58224 -183.85084 10.73140 2.97137 -183.32370 1050.36288
1310.0000 -194.76182 -183.97213 10.78969 2.91294 -184.41762 1032.49019
1315.0000 -196.22553 -183.75251 12.47302 3.01316 -182.54135 1073.07233
1320.0000 -193.72344 -182.80736 10.91609 2.94622 -183.79454 1006.91932
1325.0000 -192.14063 -181.00421 11.13642 3.09721 -180.96784 1093.08121
1330.0000 -191.36501 -179.18083 12.18418 3.17903 -179.43617 1156.62629
1335.0000 -192.05050 -181.64580 10.40470 3.17278 -179.55311 1144.81643
1340.0000 -191.57406 -178.88365 12.69041 3.10211 -180.87611 1106.42960
1345.0000 -190.40459 -177.70824 12.69635 3.24189 -178.25943 1199.88251
1350.0000 -193.63927 -182.04655 11.59272 3.14023 -180.16256 1166.67023
1355.0000 -195.33244 -183.59041 11.74202 3.02894 -182.24589 1074.05181
1360.0000 -191.41468 -179.23994 12.17474 3.04674 -181.91271 1113.61829
1365.0000 -191.48307 -177.59595 13.88713 3.26821 -177.76659 1234.39007
1370.0000 -193.31564 -180.33420 12.98143 3.23916 -178.31056 1237.55282
1375.0000 -193.06692 -179.43926 13.62766 3.12514 -180.44508 1159.64186
1380.0000 -193.82079 -181.95429 11.86650 3.12049 -180.53217 1150.21201
1385.0000 -190.54007 -180.19639 10.34368 3.11443 -180.64558 1105.59046
1390.0000 -194.40432 -178.35095 16.05338 3.16936 -179.61728 1148.09355
1395.0000 -194.16526 -184.39798 9.76728 3.02838 -182.25645 1084.47705
1400.0000 -193.70518 -181.57638 12.12879 2.97030 -183.34368 1033.29577
1405.0000 -195.18483 -181.23336 13.95147 3.05286 -181.79807 1073.54456
1410.0000 -192.59957 -180.04471 12.55487 3.10528 -180.81689 1130.44272
1415.0000 -191.82366 -180.61549 11.20817 3.08444 -181.20690 1112.36001
1420.0000 -193.79038 -180.04021 13.75017 3.13186 -180.31925 1107.85566
1425.0000 -191.25465 -180.52240 10.73225 3.06275 -181.61296 1092.39675
1430.0000 -193.43251 -180.27011 13.16239 3.10368 -180.84668 1133.75465
1435.0000 -194.06282 -181.02240 13.04043 3.04681 -181.91143 1120.34803
1440.0000 -192.88478 -180.02260 12.86218 3.16130 -179.76805 1183.62645
1445.0000 -193.30253 -180.41973 12.88280 3.16665 -179.66794 1173.67696
1450.0000 -193.84842 -181.54245 12.30597 3.11083 -180.71287 1156.55731
1455.0000 -190.56480 -179.76330 10.80150 3.07278 -181.42517 1098.79751
1460.0000 -192.28969 -180.54209 11.74760 3.17867 -179.44286 1165.16690
1465.0000 -195.95966 -184.61824 11.34142 2.98657 -183.03912 1072.95535
1470.0000 -194.09534 -183.56306 10.53228 2.88417 -184.95616 998.52794
1475.0000 -194.02885 -181.76954 12.25931 3.05461 -181.76543 1147.41854
1480.0000 -192.61088 -182.23903 10.37184 3.06730 -181.52791 1127.98604
1485.0000 -193.44869 -180.08369 13.36500 3.14686 -180.03841 1145.94239
1490.0000 -192.35248 -180.67760 11.67488 3.08302 -181.23346 1108.13248
1495.0000 -193.03346 -182.27012 10.76334 3.02236 -182.36907 1082.84203
1500.0000 -191.97567 -180.06320 11.91246 3.12027 -180.53620 1146.82867
FREEZING PROCESS: loop number 7 T-loop= 1089.0000000000000
main_MD> interactions number 7 at Temperature= 1089.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.23597 1.92474 1.01388
force_rgl> df(natom) 8.51589 2.80408 -4.60519
1505.0000 -192.94875 -180.44075 12.50800 3.15564 -179.87403 1159.23718
1510.0000 -192.67032 -181.00990 11.66042 3.10319 -180.85592 1135.08291
1515.0000 -194.70442 -183.45168 11.25273 3.02839 -182.25621 1080.09159
1520.0000 -195.81304 -184.21281 11.60023 2.97828 -183.19437 1054.65446
1525.0000 -192.44384 -181.13562 11.30822 2.98761 -183.01975 1036.96613
1530.0000 -195.00062 -184.47999 10.52063 2.97335 -183.28672 1050.55782
1535.0000 -195.79977 -184.85398 10.94579 2.89434 -184.76577 1001.20425
1540.0000 -191.22697 -181.43301 9.79396 3.00375 -182.71759 1076.97559
1545.0000 -193.03589 -182.20902 10.82687 3.02806 -182.26244 1064.18175
1550.0000 -195.04672 -183.06028 11.98644 2.97821 -183.19575 1064.55493
1555.0000 -192.05916 -180.94130 11.11787 3.00709 -182.65498 1058.29549
1560.0000 -193.71934 -182.17993 11.53941 3.00477 -182.69840 1068.47871
1565.0000 -191.98023 -180.21487 11.76536 3.11975 -180.54593 1137.91193
1570.0000 -190.96749 -181.08423 9.88326 3.11322 -180.66811 1106.83274
1575.0000 -191.04650 -180.66956 10.37694 3.11327 -180.66715 1108.22391
1580.0000 -193.15155 -182.25746 10.89410 3.09754 -180.96168 1134.07348
1585.0000 -192.93627 -181.88070 11.05557 3.02972 -182.23130 1080.94462
1590.0000 -193.37053 -179.70664 13.66389 3.10437 -180.83382 1099.16958
1595.0000 -192.12257 -180.89754 11.22503 3.20333 -178.98129 1190.59092
1600.0000 -191.88292 -179.66778 12.21514 3.12062 -180.52969 1124.35837
1605.0000 -192.60808 -182.27650 10.33158 3.08346 -181.22523 1109.42760
1610.0000 -191.69514 -180.78771 10.90744 3.07863 -181.31581 1109.22589
1615.0000 -192.64884 -181.36651 11.28233 3.12202 -180.50335 1129.04581
1620.0000 -192.52543 -180.14017 12.38526 3.09288 -181.04898 1153.65528
1625.0000 -193.14171 -182.24494 10.89676 3.15181 -179.94575 1156.40334
1630.0000 -192.74833 -181.18710 11.56123 3.06417 -181.58635 1097.19266
1635.0000 -192.91067 -183.06369 9.84698 3.02630 -182.29536 1089.18654
1640.0000 -194.18894 -182.70406 11.48488 3.05296 -181.79636 1092.53184
1645.0000 -195.00308 -183.03741 11.96568 2.98984 -182.97790 1069.70170
1650.0000 -192.91448 -181.09854 11.81594 3.00252 -182.74048 1046.79923
1655.0000 -195.00258 -183.87494 11.12764 2.98125 -183.13879 1046.42648
1660.0000 -192.11850 -180.69732 11.42118 3.01849 -182.44160 1059.46817
1665.0000 -191.60483 -178.00706 13.59777 3.20570 -178.93685 1188.45559
1670.0000 -194.10653 -181.72535 12.38118 3.10568 -180.80926 1140.42449
1675.0000 -192.32287 -181.57410 10.74878 3.10041 -180.90800 1113.27874
1680.0000 -193.05381 -180.09699 12.95682 3.14895 -179.99932 1120.59567
1685.0000 -193.84434 -182.08963 11.75472 3.07011 -181.47521 1087.39689
1690.0000 -192.36707 -182.13929 10.22778 2.99768 -182.83112 1059.98945
1695.0000 -193.25516 -181.26896 11.98620 3.08969 -181.10870 1114.35025
1700.0000 -192.42711 -181.48664 10.94047 3.08049 -181.28096 1116.48866
1705.0000 -193.52751 -181.38576 12.14175 3.06352 -181.59853 1092.79706
1710.0000 -193.30236 -181.60818 11.69418 3.03625 -182.10918 1049.74159
1715.0000 -193.20760 -182.29965 10.90795 2.99399 -182.90028 1048.03223
1720.0000 -193.03779 -180.96076 12.07703 3.09828 -180.94780 1118.85734
1725.0000 -192.15943 -179.93432 12.22511 3.08358 -181.22307 1103.07161
1730.0000 -191.84153 -178.01872 13.82281 3.13425 -180.27443 1173.79921
1735.0000 -189.96088 -178.38101 11.57987 3.23784 -178.33511 1202.40602
1740.0000 -190.85422 -179.69641 11.15782 3.14805 -180.01606 1133.89162
1745.0000 -191.85874 -178.27915 13.57959 3.14879 -180.00222 1161.19121
1750.0000 -193.91059 -182.39031 11.52029 3.16510 -179.69697 1153.18679
FREEZING PROCESS: loop number 8 T-loop= 1064.0000000000000
main_MD> interactions number 8 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.72778 1.37475 2.78408
force_rgl> df(natom) -1.55820 1.48252 2.89813
1755.0000 -192.72092 -181.15834 11.56258 3.04556 -181.93487 1089.27837
1760.0000 -194.44512 -184.10964 10.33548 2.98469 -183.07443 1056.69398
1765.0000 -194.93672 -183.89160 11.04512 2.92393 -184.21179 1021.43998
1770.0000 -191.59602 -181.38517 10.21085 3.05862 -181.69029 1104.90773
1775.0000 -194.84819 -184.28585 10.56235 2.98417 -183.08413 1054.69174
1780.0000 -194.28824 -184.22970 10.05854 2.90821 -184.50614 1011.03379
1785.0000 -193.23172 -181.56806 11.66366 2.97865 -183.18747 1060.55033
1790.0000 -191.64384 -180.14779 11.49605 3.07018 -181.47391 1108.80894
1795.0000 -193.42718 -181.11785 12.30933 3.12204 -180.50313 1132.58647
1800.0000 -195.39309 -184.58397 10.80912 2.98271 -183.11136 1013.39964
1805.0000 -194.86886 -183.78558 11.08328 2.92148 -184.25772 1026.94918
1810.0000 -195.13170 -183.17463 11.95707 2.98313 -183.10355 1026.63534
1815.0000 -192.29613 -181.71502 10.58111 3.02571 -182.30641 1071.19893
1820.0000 -191.96685 -179.79286 12.17398 3.09803 -180.95253 1107.34261
1825.0000 -193.96999 -182.05817 11.91183 3.10977 -180.73273 1146.79663
1830.0000 -195.08937 -183.39962 11.68974 2.99255 -182.92715 1059.82678
1835.0000 -192.38745 -182.44323 9.94422 2.98352 -183.09632 1046.94117
1840.0000 -193.89281 -181.41848 12.47433 2.98644 -183.04166 1041.12621
1845.0000 -192.21496 -179.51273 12.70223 3.10320 -180.85567 1107.35479
1850.0000 -194.95874 -184.56319 10.39555 2.99544 -182.87303 1039.71788
1855.0000 -192.70311 -181.14078 11.56233 3.01031 -182.59468 1031.04073
1860.0000 -195.87956 -185.81048 10.06908 2.99219 -182.93397 1074.19584
1865.0000 -195.91812 -183.00584 12.91227 2.94067 -183.89838 1050.20005
1870.0000 -192.64723 -182.42533 10.22190 3.00610 -182.67363 1067.33937
1875.0000 -192.11287 -183.00182 9.11105 3.00935 -182.61270 1050.91308
1880.0000 -194.75824 -183.34392 11.41432 2.99317 -182.91567 1024.70509
1885.0000 -191.61659 -179.85032 11.76627 3.14091 -180.14978 1171.64895
1890.0000 -194.11462 -181.13426 12.98036 3.17102 -179.58613 1147.64825
1895.0000 -194.70767 -183.58589 11.12177 3.01275 -182.54910 1071.05040
1900.0000 -194.96463 -183.98033 10.98429 2.97655 -183.22672 1051.35692
1905.0000 -195.29563 -185.63774 9.65788 2.86521 -185.31113 982.86628
1910.0000 -195.63675 -184.55063 11.08613 2.87042 -185.21356 953.26268
1915.0000 -193.09428 -182.71014 10.38414 2.94884 -183.74553 1003.37211
1920.0000 -195.53831 -183.28278 12.25554 2.98807 -183.01114 1070.62246
1925.0000 -196.01212 -184.73614 11.27599 2.91601 -184.36005 999.25631
1930.0000 -193.80287 -183.46338 10.33949 2.95268 -183.67365 1022.82362
1935.0000 -193.58335 -182.17187 11.41149 3.06244 -181.61874 1048.16555
1940.0000 -195.92391 -182.88463 13.03928 2.94990 -183.72557 1001.55998
1945.0000 -194.10078 -182.26687 11.83391 3.00197 -182.75081 1068.47063
1950.0000 -193.84401 -181.22891 12.61510 3.09173 -181.07054 1102.28822
1955.0000 -194.02030 -183.02907 10.99123 3.03136 -182.20068 1058.04963
1960.0000 -194.77461 -183.55949 11.21512 2.98081 -183.14695 1043.35866
1965.0000 -195.12847 -185.57644 9.55203 2.91313 -184.41402 1008.88355
1970.0000 -194.91510 -184.82985 10.08525 2.95690 -183.59456 1040.90381
1975.0000 -196.46196 -186.17923 10.28273 2.84549 -185.68019 1008.26012
1980.0000 -195.91914 -185.16806 10.75108 2.87429 -185.14106 997.56717
1985.0000 -197.02010 -186.58551 10.43459 2.79063 -186.70721 942.43397
1990.0000 -195.49149 -185.31236 10.17913 2.80934 -186.35706 943.92296
1995.0000 -195.31603 -183.70163 11.61440 2.92467 -184.19799 981.73955
2000.0000 -194.18396 -183.77206 10.41190 2.91213 -184.43277 1011.97231
FREEZING PROCESS: loop number 9 T-loop= 1039.0000000000000
main_MD> interactions number 9 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23419 1.59925 1.32323
force_rgl> df(natom) -7.72024 -5.21443 -3.84870
2005.0000 -191.85412 -181.65572 10.19839 2.98763 -183.01935 1056.04995
2010.0000 -194.64108 -182.56195 12.07913 3.01705 -182.46856 1070.74368
2015.0000 -195.47722 -184.60849 10.86873 2.96287 -183.48289 1040.23024
2020.0000 -193.52727 -183.95044 9.57684 2.90182 -184.62566 993.84270
2025.0000 -194.88008 -185.10181 9.77827 2.96354 -183.47028 1029.53718
2030.0000 -192.84982 -183.98638 8.86344 2.95492 -183.63159 1027.08794
2035.0000 -194.26459 -184.57324 9.69135 2.93100 -184.07944 991.31535
2040.0000 -194.61659 -185.06039 9.55621 2.91160 -184.44259 981.20056
2045.0000 -191.96628 -180.52166 11.44462 2.98193 -183.12603 1030.13124
2050.0000 -191.98945 -180.05784 11.93161 3.14474 -180.07812 1116.16584
2055.0000 -194.17319 -183.28504 10.88816 3.07130 -181.45286 1075.31034
2060.0000 -194.45046 -182.58608 11.86438 2.98678 -183.03525 1045.17302
2065.0000 -194.50658 -183.54368 10.96290 2.92488 -184.19404 991.43905
2070.0000 -191.68425 -180.81057 10.87368 3.03150 -182.19809 1070.53463
2075.0000 -192.05856 -180.72613 11.33243 3.03322 -182.16576 1096.59740
2080.0000 -193.72384 -181.38697 12.33687 3.10129 -180.89158 1128.53970
2085.0000 -193.76018 -183.02328 10.73690 3.01138 -182.57461 1006.56493
2090.0000 -196.46519 -184.34006 12.12514 2.97235 -183.30534 1042.72467
2095.0000 -195.00697 -184.68413 10.32284 2.91703 -184.34091 1023.13370
2100.0000 -192.53391 -183.73295 8.80096 2.93559 -183.99348 1014.14060
2105.0000 -192.39435 -183.30601 9.08833 2.95329 -183.66210 1043.28317
2110.0000 -195.13058 -185.26058 9.87000 2.98308 -183.10441 1044.56938
2115.0000 -196.46169 -187.00941 9.45229 2.82527 -186.05872 943.61311
2120.0000 -195.01823 -184.17920 10.83903 2.83808 -185.81899 969.55982
2125.0000 -193.73044 -183.29478 10.43565 2.99726 -182.83896 1045.45095
2130.0000 -193.01263 -182.68687 10.32576 3.03537 -182.12559 1061.96872
2135.0000 -194.44541 -182.80151 11.64390 3.01377 -182.52999 1071.62401
2140.0000 -193.11602 -182.99770 10.11832 2.96189 -183.50118 1050.68245
2145.0000 -194.44413 -184.25959 10.18453 2.98194 -183.12586 1050.00322
2150.0000 -192.14452 -182.46477 9.67974 2.92748 -184.14543 1026.48203
2155.0000 -192.28890 -181.70568 10.58321 3.01205 -182.56217 1067.73144
2160.0000 -196.23452 -186.28647 9.94805 2.94717 -183.77678 1004.82427
2165.0000 -192.10105 -180.93756 11.16349 2.95151 -183.69545 1038.25155
2170.0000 -195.04091 -183.81206 11.22885 3.02460 -182.32716 1082.06427
2175.0000 -194.66720 -183.33863 11.32857 2.99889 -182.80856 1049.67119
2180.0000 -194.65064 -184.12023 10.53041 2.87112 -185.20045 1004.25449
2185.0000 -194.87274 -184.49688 10.37587 2.97848 -183.19066 1053.84102
2190.0000 -193.77603 -185.65805 8.11798 2.84496 -185.69023 973.09562
2195.0000 -195.66010 -186.07659 9.58351 2.81555 -186.24084 953.41419
2200.0000 -193.58384 -180.89727 12.68657 2.90666 -184.53520 1017.45727
2205.0000 -194.83854 -182.64216 12.19637 3.12183 -180.50694 1180.06045
2210.0000 -194.71891 -184.02502 10.69389 2.96944 -183.35983 1020.86424
2215.0000 -194.99806 -184.63944 10.35862 2.89259 -184.79849 981.72334
2220.0000 -194.46262 -183.26744 11.19518 2.91312 -184.41414 1006.99536
2225.0000 -193.83982 -181.85447 11.98534 2.99351 -182.90923 1061.91777
2230.0000 -195.06612 -183.49048 11.57564 3.06316 -181.60526 1103.52878
2235.0000 -195.06927 -182.47478 12.59449 2.97718 -183.21486 1061.54699
2240.0000 -196.75180 -185.77052 10.98129 2.89111 -184.82619 998.26907
2245.0000 -194.62630 -183.17892 11.44738 2.86656 -185.28583 994.42451
2250.0000 -195.88056 -185.36261 10.51795 2.91957 -184.29353 1013.11968
FREEZING PROCESS: loop number 10 T-loop= 1014.0000000000000
main_MD> interactions number 10 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55652 1.62521 -1.77129
force_rgl> df(natom) 2.73268 2.96037 -2.47767
2255.0000 -192.71033 -183.90594 8.80440 2.82765 -186.01432 937.05377
2260.0000 -194.53583 -183.66510 10.87073 2.90148 -184.63203 1014.56080
2265.0000 -193.79540 -183.47134 10.32407 2.97966 -183.16855 1022.76872
2270.0000 -196.79246 -185.25030 11.54216 2.91375 -184.40237 981.12027
2275.0000 -195.35448 -184.56496 10.78952 2.93191 -184.06241 1035.40585
2280.0000 -194.76946 -183.35938 11.41007 2.89150 -184.81896 970.95928
2285.0000 -194.57711 -183.42550 11.15161 2.93283 -184.04524 978.68312
2290.0000 -194.88500 -183.59684 11.28816 2.94055 -183.90066 1018.23432
2295.0000 -194.61206 -184.71294 9.89912 2.91328 -184.41124 1006.91980
2300.0000 -196.17035 -186.49852 9.67183 2.83666 -185.84558 965.30704
2305.0000 -193.39544 -182.45614 10.93930 2.91704 -184.34082 996.39539
2310.0000 -195.16166 -185.57682 9.58483 2.91547 -184.37016 1029.92255
2315.0000 -196.24989 -187.06228 9.18761 2.80169 -186.50028 908.70815
2320.0000 -195.42470 -184.46861 10.95609 2.80756 -186.39043 935.12598
2325.0000 -195.15442 -183.71986 11.43455 2.95068 -183.71112 1015.11390
2330.0000 -195.24418 -184.14341 11.10077 2.92189 -184.24995 995.60694
2335.0000 -195.41244 -184.47512 10.93732 2.90770 -184.51561 1022.84803
2340.0000 -193.65858 -182.83261 10.82597 2.93630 -183.98028 1019.38125
2345.0000 -194.38970 -184.38754 10.00216 2.93702 -183.96681 1008.04886
2350.0000 -194.14550 -182.64719 11.49832 2.92524 -184.18739 1025.96901
2355.0000 -193.38807 -181.34402 12.04404 3.00797 -182.63850 1088.87511
2360.0000 -193.44013 -181.66041 11.77972 3.10586 -180.80592 1121.71012
2365.0000 -192.81162 -181.07075 11.74087 3.11078 -180.71388 1139.35504
2370.0000 -195.77901 -185.89043 9.88857 2.98770 -183.01797 1035.87987
2375.0000 -194.11258 -184.27369 9.83889 2.86460 -185.32253 990.42862
2380.0000 -192.84498 -181.93670 10.90828 2.95139 -183.69776 1042.97219
2385.0000 -193.21286 -181.39906 11.81380 3.02908 -182.24325 1102.64541
2390.0000 -193.57007 -181.55188 12.01818 3.02584 -182.30393 1073.89130
2395.0000 -195.36762 -184.35493 11.01269 2.98610 -183.04795 1072.48319
2400.0000 -194.84358 -183.98600 10.85758 2.99518 -182.87805 1063.13857
2405.0000 -195.98978 -184.68225 11.30753 2.91754 -184.33142 1010.65618
2410.0000 -197.19537 -185.79772 11.39765 2.84101 -185.76421 965.53010
2415.0000 -194.82877 -183.42005 11.40872 2.96628 -183.41894 1072.34470
2420.0000 -192.98465 -182.37120 10.61345 3.06821 -181.51076 1089.91653
2425.0000 -193.78077 -180.39788 13.38289 3.01406 -182.52450 1084.58296
2430.0000 -193.31522 -182.11583 11.19939 3.04803 -181.88855 1109.16992
2435.0000 -196.01579 -183.20738 12.80840 2.99508 -182.87975 1039.56384
2440.0000 -195.75051 -184.74081 11.00971 2.88911 -184.86364 998.88787
2445.0000 -195.31890 -185.36642 9.95248 2.88184 -184.99971 996.70984
2450.0000 -195.03371 -184.52179 10.51191 2.91982 -184.28880 1007.14802
2455.0000 -193.77326 -183.92521 9.84805 2.96518 -183.43968 1045.71571
2460.0000 -192.37787 -181.73455 10.64332 2.97286 -183.29582 1030.83376
2465.0000 -193.60847 -182.97945 10.62901 3.01525 -182.50222 1067.50147
2470.0000 -194.42183 -184.25011 10.17173 2.91564 -184.36693 988.85804
2475.0000 -194.84731 -184.48688 10.36043 2.92152 -184.25701 1006.70497
2480.0000 -193.64436 -183.23537 10.40899 2.97421 -183.27061 1010.74709
2485.0000 -196.58627 -184.37027 12.21600 2.90730 -184.52319 979.26502
2490.0000 -195.15256 -185.23341 9.91915 2.93683 -183.97035 1021.62329
2495.0000 -195.20124 -185.88830 9.31294 2.81906 -186.17507 952.77115
2500.0000 -196.79877 -186.38522 10.41355 2.80408 -186.45554 938.95193
FREEZING PROCESS: loop number 11 T-loop= 989.00000000000000
main_MD> interactions number 11 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.48708 0.23282 0.04999
force_rgl> df(natom) -1.77942 -1.25114 -1.35857
2505.0000 -196.24497 -185.47849 10.76649 2.81021 -186.34075 954.57997
2510.0000 -195.85641 -184.65279 11.20362 2.84744 -185.64370 986.48365
2515.0000 -195.95164 -186.27233 9.67931 2.84163 -185.75257 932.09000
2520.0000 -194.22926 -183.19034 11.03892 2.88598 -184.92234 984.08927
2525.0000 -194.54360 -183.94046 10.60314 2.96368 -183.46771 1052.13177
2530.0000 -194.65001 -183.87033 10.77968 2.92388 -184.21267 1005.85418
2535.0000 -194.72636 -185.37528 9.35108 2.84862 -185.62174 970.66352
2540.0000 -196.38099 -185.78347 10.59752 2.76999 -187.09379 891.02265
2545.0000 -195.26197 -184.81599 10.44598 2.85189 -185.56050 960.02754
2550.0000 -195.94386 -184.03098 11.91288 2.93416 -184.02025 1045.83337
2555.0000 -195.36157 -183.78478 11.57680 2.96768 -183.39278 1075.15142
2560.0000 -194.13579 -184.35135 9.78444 2.90625 -184.54279 1006.88938
2565.0000 -194.89332 -182.41682 12.47650 2.98955 -182.98343 1031.89553
2570.0000 -193.51823 -184.43948 9.07875 2.93896 -183.93037 999.20339
2575.0000 -196.19789 -185.24366 10.95423 2.90277 -184.60803 972.64847
2580.0000 -196.93589 -186.53425 10.40164 2.88535 -184.93415 993.03886
2585.0000 -197.61794 -186.78446 10.83348 2.76399 -187.20602 908.83461
2590.0000 -196.88542 -187.20764 9.67778 2.80836 -186.37539 953.22200
2595.0000 -197.73039 -187.73864 9.99175 2.78285 -186.85287 917.45980
2600.0000 -194.95066 -184.28024 10.67042 2.85479 -185.50624 971.61923
2605.0000 -193.03173 -183.03125 10.00048 2.94217 -183.87028 1012.69877
2610.0000 -196.22911 -184.19336 12.03575 2.96438 -183.45454 1026.51641
2615.0000 -193.37950 -182.11265 11.26685 3.00024 -182.78319 1061.42904
2620.0000 -193.48064 -181.00909 12.47155 3.07847 -181.31874 1101.22643
2625.0000 -193.88357 -184.24467 9.63890 3.02030 -182.40776 1067.34106
2630.0000 -194.08402 -184.23427 9.84975 2.94921 -183.73851 1021.32339
2635.0000 -195.67537 -182.95029 12.72508 2.97094 -183.33185 1048.07585
2640.0000 -196.01979 -184.79972 11.22007 2.94539 -183.81013 1006.74481
2645.0000 -192.91478 -182.55841 10.35637 3.00129 -182.76354 1056.08433
2650.0000 -194.69195 -182.05005 12.64189 3.03537 -182.12553 1062.85832
2655.0000 -195.24518 -184.62182 10.62336 2.97032 -183.34334 1048.38298
2660.0000 -196.68454 -185.61901 11.06553 2.86897 -185.24069 984.32109
2665.0000 -196.95718 -186.15940 10.79778 2.87529 -185.12245 996.69697
2670.0000 -195.24227 -183.89824 11.34403 2.88400 -184.95932 991.74575
2675.0000 -194.11101 -184.02261 10.08840 2.93085 -184.08221 1000.34729
2680.0000 -197.30819 -187.48504 9.82315 2.85701 -185.46460 949.13073
2685.0000 -198.09313 -188.57501 9.51811 2.70844 -188.24600 877.34047
2690.0000 -196.04066 -185.74628 10.29437 2.80770 -186.38776 954.01980
2695.0000 -197.25247 -188.04811 9.20436 2.80870 -186.36909 921.99431
2700.0000 -194.08826 -184.27099 9.81727 2.85975 -185.41339 949.29650
2705.0000 -196.38455 -183.45324 12.93131 2.94666 -183.78631 1005.54302
2710.0000 -193.78226 -182.31469 11.46757 3.01463 -182.51379 1066.34206
2715.0000 -192.94952 -182.42109 10.52843 3.07522 -181.37947 1090.53482
2720.0000 -193.38108 -184.28858 9.09250 2.96231 -183.49328 1047.10860
2725.0000 -194.26382 -183.12564 11.13817 2.90584 -184.55056 1004.01884
2730.0000 -195.41704 -183.91284 11.50420 2.94339 -183.84755 1007.51199
2735.0000 -195.43294 -184.34617 11.08677 2.93259 -184.04975 1005.91817
2740.0000 -196.40951 -184.17038 12.23914 2.96866 -183.37450 1057.70096
2745.0000 -195.26523 -185.96238 9.30285 2.82705 -186.02550 950.75206
2750.0000 -197.26089 -185.60528 11.65561 2.79613 -186.60431 931.70498
FREEZING PROCESS: loop number 12 T-loop= 964.00000000000000
main_MD> interactions number 12 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10650 -0.52541 0.26499
force_rgl> df(natom) -1.86361 2.31472 1.94475
2755.0000 -196.83573 -185.58437 11.25136 2.89011 -184.84493 1005.84421
2760.0000 -197.58759 -187.74042 9.84717 2.80027 -186.52680 929.16796
2765.0000 -197.01893 -186.62925 10.38968 2.78171 -186.87434 937.08312
2770.0000 -194.85889 -183.17044 11.68846 2.90281 -184.60715 1007.66594
2775.0000 -194.98338 -184.26025 10.72314 2.89728 -184.71065 989.46014
2780.0000 -195.88007 -185.04426 10.83581 2.92751 -184.14488 1040.40494
2785.0000 -194.52662 -184.29611 10.23051 2.89783 -184.70043 1002.76549
2790.0000 -195.01317 -185.27212 9.74105 2.85497 -185.50283 960.81539
2795.0000 -196.68126 -184.37194 12.30932 2.90921 -184.48747 974.36620
2800.0000 -195.64190 -183.71193 11.92997 2.88459 -184.94821 986.76632
2805.0000 -195.82493 -185.51102 10.31391 2.87431 -185.14065 966.68679
2810.0000 -195.86702 -185.72110 10.14592 2.82664 -186.03323 966.43381
2815.0000 -194.46555 -185.06623 9.39933 2.88706 -184.90214 1004.39310
2820.0000 -195.65007 -184.90302 10.74704 2.82484 -186.06688 945.46861
2825.0000 -196.40801 -185.65548 10.75252 2.87747 -185.08151 985.63262
2830.0000 -194.16131 -185.06441 9.09689 2.81092 -186.32740 957.93569
2835.0000 -193.04498 -183.23369 9.81128 2.93843 -183.94040 990.62493
2840.0000 -194.33957 -183.62301 10.71656 3.00002 -182.78729 1063.75814
2845.0000 -194.26906 -185.41619 8.85287 2.88681 -184.90666 963.55691
2850.0000 -197.15007 -187.10771 10.04236 2.80201 -186.49417 930.78229
2855.0000 -195.57054 -185.55146 10.01908 2.81572 -186.23753 929.92200
2860.0000 -195.71861 -186.51458 9.20403 2.78987 -186.72162 913.41948
2865.0000 -193.76064 -183.44427 10.31637 2.85962 -185.41576 951.70387
2870.0000 -195.13290 -185.59249 9.54041 2.94221 -183.86970 1014.36828
2875.0000 -193.05192 -182.12218 10.92974 2.92234 -184.24157 1032.23008
2880.0000 -193.80561 -183.26953 10.53608 2.98770 -183.01796 1052.12341
2885.0000 -197.46565 -187.63241 9.83324 2.84681 -185.65559 957.07618
2890.0000 -195.35644 -184.51048 10.84597 2.83128 -185.94636 959.60785
2895.0000 -196.55510 -184.86647 11.68863 2.87544 -185.11963 970.03326
2900.0000 -197.20777 -186.77128 10.43649 2.82967 -185.97645 967.70858
2905.0000 -196.73526 -186.87588 9.85938 2.78809 -186.75491 952.35239
2910.0000 -196.94238 -186.84803 10.09435 2.78466 -186.81903 930.83036
2915.0000 -196.61388 -187.17756 9.43632 2.79132 -186.69440 939.61709
2920.0000 -196.66309 -185.59088 11.07221 2.79833 -186.56310 923.66680
2925.0000 -194.82209 -184.36770 10.45440 2.90104 -184.64038 1031.90869
2930.0000 -194.65460 -184.19597 10.45862 2.89949 -184.66943 979.78233
2935.0000 -195.48331 -185.46822 10.01509 2.89757 -184.70534 974.35965
2940.0000 -196.08401 -184.65244 11.43158 2.86129 -185.38452 975.40718
2945.0000 -193.46714 -183.73398 9.73317 2.96634 -183.41785 1005.74732
2950.0000 -193.17421 -182.74496 10.42926 3.02974 -182.23094 1032.85660
2955.0000 -197.53987 -186.53227 11.00760 2.92688 -184.15658 1022.09135
2960.0000 -195.95184 -186.87136 9.08048 2.77617 -186.97807 949.71053
2965.0000 -195.96592 -185.32473 10.64119 2.83281 -185.91758 955.30586
2970.0000 -196.19338 -186.28117 9.91221 2.83314 -185.91157 937.83309
2975.0000 -195.66938 -184.16354 11.50584 2.84998 -185.59627 982.79949
2980.0000 -194.22888 -183.65751 10.57137 2.90776 -184.51457 1005.10734
2985.0000 -195.60098 -185.44949 10.15150 2.92394 -184.21155 1007.94164
2990.0000 -197.02878 -186.21568 10.81310 2.77471 -187.00527 904.31707
2995.0000 -196.96805 -187.40659 9.56146 2.84301 -185.72664 941.08662
3000.0000 -195.10782 -185.15988 9.94795 2.82851 -185.99819 956.75752
FREEZING PROCESS: loop number 13 T-loop= 939.00000000000000
main_MD> interactions number 13 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.14720 -1.28056 -4.82498
force_rgl> df(natom) -1.44140 -1.51546 -1.62865
3005.0000 -197.15642 -187.51261 9.64382 2.84217 -185.74247 943.59555
3010.0000 -197.94564 -187.27168 10.67396 2.74414 -187.57763 902.99894
3015.0000 -196.41270 -184.53205 11.88065 2.81794 -186.19602 941.54453
3020.0000 -194.57213 -185.23306 9.33907 2.84957 -185.60398 976.94062
3025.0000 -195.83850 -185.96553 9.87297 2.85043 -185.58780 940.86968
3030.0000 -194.09848 -183.75007 10.34842 2.84830 -185.62776 946.48576
3035.0000 -194.13822 -182.87044 11.26779 3.02033 -182.40705 1032.28050
3040.0000 -192.98211 -182.22095 10.76116 3.03281 -182.17346 1088.42315
3045.0000 -193.47556 -182.10964 11.36592 2.95930 -183.54970 1056.59855
3050.0000 -194.63944 -184.41713 10.22231 2.99475 -182.88609 1057.36384
3055.0000 -195.01855 -184.75883 10.25972 2.91862 -184.31124 1008.15748
3060.0000 -197.37873 -186.04756 11.33118 2.86934 -185.23374 1011.70354
3065.0000 -195.29281 -186.54705 8.74576 2.76630 -187.16281 919.54501
3070.0000 -193.79114 -184.41422 9.37691 2.83981 -185.78662 952.26347
3075.0000 -195.76534 -185.65826 10.10709 2.88507 -184.93929 1004.52666
3080.0000 -198.19457 -187.46609 10.72848 2.78469 -186.81848 930.06868
3085.0000 -196.76723 -188.14643 8.62081 2.72878 -187.86509 881.53798
3090.0000 -196.57921 -186.54873 10.03048 2.78218 -186.86554 941.86254
3095.0000 -197.79120 -186.30887 11.48233 2.81664 -186.22032 952.83345
3100.0000 -195.44929 -185.02004 10.42925 2.83854 -185.81045 945.36437
3105.0000 -197.11806 -186.87076 10.24730 2.81579 -186.23626 949.99160
3110.0000 -194.23127 -183.24532 10.98594 2.84543 -185.68135 970.65016
3115.0000 -195.16429 -185.68517 9.47912 2.90067 -184.64730 1018.45848
3120.0000 -196.33962 -185.54281 10.79681 2.80768 -186.38808 944.97042
3125.0000 -195.35457 -185.16190 10.19266 2.89987 -184.66222 994.04075
3130.0000 -195.40973 -185.86680 9.54292 2.87026 -185.21647 975.27680
3135.0000 -195.59733 -185.20035 10.39698 2.88008 -185.03277 947.98001
3140.0000 -194.84603 -184.13498 10.71105 2.89726 -184.71108 974.68546
3145.0000 -197.00193 -187.57203 9.42990 2.81845 -186.18651 941.71141
3150.0000 -195.72552 -187.00788 8.71764 2.70015 -188.40107 885.62508
3155.0000 -196.87322 -186.29523 10.57799 2.76506 -187.18604 905.18324
3160.0000 -194.06824 -184.01242 10.05582 2.84872 -185.61986 943.36039
3165.0000 -193.89780 -184.36976 9.52803 2.89952 -184.66889 984.03920
3170.0000 -195.24131 -184.40371 10.83760 2.92494 -184.19285 1009.48075
3175.0000 -197.43908 -186.19512 11.24396 2.90226 -184.61745 991.76406
3180.0000 -196.27987 -187.48192 8.79795 2.80376 -186.46155 957.66873
3185.0000 -196.29292 -187.46091 8.83202 2.78370 -186.83712 923.39866
3190.0000 -195.89890 -185.96350 9.93540 2.80752 -186.39112 938.28665
3195.0000 -194.49993 -185.65799 8.84194 2.82090 -186.14067 932.72812
3200.0000 -194.55261 -184.76282 9.78979 2.88847 -184.87572 1008.57680
3205.0000 -198.24013 -188.62550 9.61463 2.77335 -187.03087 900.95586
3210.0000 -196.70627 -186.66501 10.04126 2.77392 -187.02013 914.77523
3215.0000 -195.34014 -185.40577 9.93437 2.86684 -185.28061 958.58557
3220.0000 -196.46161 -186.15346 10.30814 2.81834 -186.18857 949.25814
3225.0000 -196.48539 -186.76585 9.71954 2.78898 -186.73818 920.14946
3230.0000 -196.90848 -187.88309 9.02539 2.76415 -187.20309 909.09737
3235.0000 -195.91379 -186.55789 9.35591 2.81631 -186.22663 953.77849
3240.0000 -196.59869 -185.04169 11.55700 2.84985 -185.59870 971.59922
3245.0000 -194.85258 -185.78856 9.06402 2.81159 -186.31492 924.48870
3250.0000 -195.22001 -184.54829 10.67172 2.86610 -185.29451 929.84382
FREEZING PROCESS: loop number 14 T-loop= 914.00000000000000
main_MD> interactions number 14 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.87408 3.35540 -1.80969
force_rgl> df(natom) 1.40569 -3.19268 0.54198
3255.0000 -195.97032 -186.11275 9.85757 2.86284 -185.35551 977.20523
3260.0000 -197.37210 -187.69254 9.67956 2.77259 -187.04502 917.35274
3265.0000 -198.22951 -190.29079 7.93873 2.65769 -189.19606 830.28993
3270.0000 -197.07780 -186.93648 10.14132 2.65011 -189.33797 855.47200
3275.0000 -195.52919 -186.58080 8.94839 2.78428 -186.82614 932.72194
3280.0000 -196.20708 -187.38931 8.81776 2.77760 -186.95127 935.78981
3285.0000 -195.73110 -186.22167 9.50943 2.82256 -186.10953 930.44651
3290.0000 -195.97910 -186.88537 9.09373 2.81339 -186.28116 951.91866
3295.0000 -196.23066 -187.17598 9.05468 2.77266 -187.04368 945.99709
3300.0000 -194.70375 -185.66900 9.03476 2.80440 -186.44958 949.29857
3305.0000 -197.35681 -187.52569 9.83112 2.77030 -187.08797 915.86963
3310.0000 -197.52815 -187.56495 9.96321 2.77625 -186.97650 934.10493
3315.0000 -196.99148 -187.60218 9.38930 2.74894 -187.48786 915.65248
3320.0000 -196.56024 -187.53046 9.02978 2.72642 -187.90941 878.02481
3325.0000 -194.16630 -183.67402 10.49227 2.83151 -185.94194 948.99179
3330.0000 -193.59079 -184.39404 9.19676 2.90546 -184.55762 995.62529
3335.0000 -193.68164 -184.27084 9.41080 2.88243 -184.98873 980.28895
3340.0000 -196.64650 -187.37140 9.27510 2.80730 -186.39521 936.33514
3345.0000 -196.79836 -187.15157 9.64679 2.78227 -186.86375 933.11872
3350.0000 -196.55755 -187.55020 9.00735 2.73972 -187.66029 898.05824
3355.0000 -198.29597 -188.67951 9.61646 2.69865 -188.42923 871.78146
3360.0000 -197.14709 -186.01830 11.12879 2.76348 -187.21548 930.69257
3365.0000 -197.29726 -187.33051 9.96676 2.78248 -186.85984 926.66781
3370.0000 -196.30689 -186.49608 9.81081 2.77773 -186.94874 929.28162
3375.0000 -195.94510 -186.72636 9.21874 2.81960 -186.16503 948.55042
3380.0000 -198.34747 -187.46074 10.88672 2.77140 -187.06728 907.62456
3385.0000 -196.91525 -187.14260 9.77265 2.78172 -186.87412 940.46314
3390.0000 -197.07782 -187.28059 9.79723 2.78625 -186.78938 938.24045
3395.0000 -197.46987 -187.43728 10.03260 2.71561 -188.11164 886.99044
3400.0000 -197.97029 -187.93417 10.03611 2.79284 -186.66589 936.00823
3405.0000 -196.72232 -187.06341 9.65892 2.74488 -187.56369 898.52398
3410.0000 -196.65160 -186.61197 10.03963 2.74109 -187.63468 867.73337
3415.0000 -198.23100 -189.12613 9.10487 2.66843 -188.99496 852.81652
3420.0000 -199.87128 -191.42136 8.44992 2.61314 -190.03005 834.51409
3425.0000 -197.64206 -189.04990 8.59216 2.63778 -189.56886 823.59485
3430.0000 -197.32701 -189.29224 8.03477 2.65384 -189.26811 837.61629
3435.0000 -196.66286 -187.61429 9.04857 2.71006 -188.21558 897.96797
3440.0000 -197.58429 -186.76232 10.82197 2.78355 -186.83978 934.62070
3445.0000 -196.24851 -186.91686 9.33165 2.80451 -186.44738 926.99211
3450.0000 -195.72812 -186.83407 8.89405 2.70999 -188.21687 864.61975
3455.0000 -194.98717 -186.27953 8.70764 2.75311 -187.40973 898.57342
3460.0000 -196.31898 -186.53186 9.78712 2.81064 -186.33270 916.45360
3465.0000 -195.97652 -184.62095 11.35557 2.80484 -186.44132 929.12289
3470.0000 -196.03841 -187.55978 8.47863 2.82176 -186.12447 915.56547
3475.0000 -197.56316 -187.98584 9.57732 2.74599 -187.54307 873.20494
3480.0000 -197.39755 -187.05819 10.33936 2.77950 -186.91568 924.04926
3485.0000 -195.36046 -185.50801 9.85245 2.77231 -187.05029 918.64193
3490.0000 -197.42763 -188.46443 8.96320 2.73371 -187.77285 893.64253
3495.0000 -198.29822 -188.68763 9.61059 2.69351 -188.52546 864.61149
3500.0000 -198.52452 -190.14953 8.37499 2.64667 -189.40227 836.69883
FREEZING PROCESS: loop number 15 T-loop= 889.00000000000000
main_MD> interactions number 15 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11792 -0.36875 0.65035
force_rgl> df(natom) 1.72334 0.31650 0.20513
3505.0000 -197.65591 -187.47091 10.18500 2.63466 -189.62717 821.19107
3510.0000 -199.88435 -190.49197 9.39238 2.71101 -188.19783 852.64449
3515.0000 -199.04116 -190.44806 8.59310 2.62213 -189.86175 821.79743
3520.0000 -197.27373 -187.52587 9.74787 2.66773 -189.00804 881.21017
3525.0000 -197.02908 -187.08667 9.94241 2.78344 -186.84197 937.99808
3530.0000 -196.59711 -186.57382 10.02330 2.82660 -186.03399 965.52801
3535.0000 -196.59169 -186.51107 10.08061 2.75495 -187.37531 887.13401
3540.0000 -196.95029 -188.26651 8.68379 2.74751 -187.51447 888.52765
3545.0000 -197.47675 -187.99363 9.48312 2.71803 -188.06637 888.58428
3550.0000 -197.48747 -186.84480 10.64266 2.76942 -187.10440 904.37010
3555.0000 -196.41665 -188.60239 7.81426 2.72720 -187.89478 865.29432
3560.0000 -197.66573 -188.68366 8.98207 2.66952 -188.97463 851.78897
3565.0000 -197.65464 -188.89332 8.76133 2.70731 -188.26717 904.01149
3570.0000 -196.62190 -187.08033 9.54157 2.75648 -187.34662 920.65505
3575.0000 -196.30100 -187.31436 8.98665 2.75511 -187.37229 904.41493
3580.0000 -195.75728 -187.00408 8.75320 2.79665 -186.59454 921.89072
3585.0000 -195.60827 -186.41426 9.19402 2.76523 -187.18285 902.98803
3590.0000 -196.63692 -190.02056 6.61636 2.71995 -188.03056 866.47961
3595.0000 -197.21714 -187.75922 9.45792 2.68247 -188.73221 862.23405
3600.0000 -195.98275 -186.63487 9.34788 2.74374 -187.58518 891.20864
3605.0000 -196.70974 -187.38406 9.32568 2.79402 -186.64374 928.03513
3610.0000 -198.27051 -188.70069 9.56982 2.66799 -189.00329 843.91303
3615.0000 -198.09733 -189.37270 8.72463 2.67877 -188.80146 867.28892
3620.0000 -197.04374 -188.55132 8.49242 2.68293 -188.72357 842.19950
3625.0000 -196.84589 -188.03181 8.81409 2.68850 -188.61934 877.43105
3630.0000 -196.82490 -187.58988 9.23502 2.77462 -187.00706 915.50912
3635.0000 -197.67636 -189.02704 8.64931 2.74156 -187.62601 909.58805
3640.0000 -196.69979 -186.64486 10.05493 2.72339 -187.96601 871.14771
3645.0000 -195.40035 -185.03104 10.36931 2.87084 -185.20569 996.40658
3650.0000 -195.65926 -185.41218 10.24708 2.86834 -185.25260 968.32861
3655.0000 -196.17840 -187.22429 8.95411 2.85726 -185.45989 956.51027
3660.0000 -196.20600 -185.21106 10.99494 2.82119 -186.13516 930.57702
3665.0000 -196.16725 -186.45055 9.71670 2.88392 -184.96086 999.85386
3670.0000 -194.24651 -184.70322 9.54330 2.81872 -186.18146 933.54914
3675.0000 -195.57841 -184.64548 10.93293 2.87059 -185.21041 956.12894
3680.0000 -196.64150 -185.89163 10.74987 2.82326 -186.09645 929.66252
3685.0000 -195.32172 -186.32293 8.99878 2.84029 -185.77762 944.27980
3690.0000 -194.65688 -185.26241 9.39447 2.85436 -185.51419 982.26375
3695.0000 -194.50622 -184.56503 9.94119 2.84894 -185.61578 967.74437
3700.0000 -196.47786 -187.32229 9.15558 2.80190 -186.49631 919.09366
3705.0000 -196.58305 -185.21426 11.36878 2.80387 -186.45938 920.37399
3710.0000 -192.34493 -183.02085 9.32408 2.88345 -184.96959 972.75965
3715.0000 -198.91471 -186.89804 12.01667 2.84782 -185.63665 943.83130
3720.0000 -196.82056 -187.62707 9.19349 2.79385 -186.64705 936.65449
3725.0000 -196.43065 -187.06131 9.36935 2.77259 -187.04499 923.52337
3730.0000 -196.72751 -187.19992 9.52758 2.75643 -187.34749 907.66220
3735.0000 -197.00898 -186.17963 10.82935 2.77455 -187.00833 931.78216
3740.0000 -197.12014 -186.65437 10.46577 2.78940 -186.73041 921.20595
3745.0000 -196.88577 -187.68564 9.20012 2.74063 -187.64339 883.21895
3750.0000 -196.94748 -187.77211 9.17537 2.72755 -187.88819 920.66039
FREEZING PROCESS: loop number 16 T-loop= 864.00000000000000
main_MD> interactions number 16 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.01047 -2.26108 0.60328
force_rgl> df(natom) -2.04190 -0.22030 -0.86165
3755.0000 -194.87715 -185.46255 9.41461 2.79220 -186.67784 919.20650
3760.0000 -197.78181 -187.22726 10.55455 2.83547 -185.86785 960.98475
3765.0000 -196.32697 -185.87073 10.45624 2.80039 -186.52453 949.56511
3770.0000 -196.44040 -185.83218 10.60822 2.87233 -185.17775 973.05274
3775.0000 -198.95848 -189.15741 9.80107 2.74389 -187.58230 889.79075
3780.0000 -194.70383 -186.72680 7.97704 2.65807 -189.18888 849.73231
3785.0000 -196.83168 -187.89218 8.93950 2.73079 -187.82759 873.02252
3790.0000 -199.31535 -190.32585 8.98950 2.63672 -189.58854 814.30729
3795.0000 -198.41957 -189.80699 8.61257 2.63257 -189.66623 813.17181
3800.0000 -198.97198 -190.08503 8.88694 2.58377 -190.57983 783.96014
3805.0000 -199.52840 -192.70416 6.82424 2.52412 -191.69649 786.88786
3810.0000 -198.88641 -190.15913 8.72728 2.54097 -191.38117 767.81397
3815.0000 -198.09420 -188.97314 9.12106 2.62410 -189.82487 819.36819
3820.0000 -198.17014 -189.72324 8.44690 2.65923 -189.16714 838.69230
3825.0000 -198.59742 -190.59815 7.99927 2.62824 -189.74728 822.04776
3830.0000 -198.21113 -189.14375 9.06738 2.60561 -190.17102 814.65050
3835.0000 -196.27913 -188.07652 8.20261 2.70044 -188.39580 855.28071
3840.0000 -196.13944 -188.68646 7.45297 2.71614 -188.10186 898.80269
3845.0000 -199.02188 -190.59073 8.43115 2.55613 -191.09723 787.50607
3850.0000 -199.32431 -190.47263 8.85168 2.61864 -189.92716 831.30762
3855.0000 -198.69967 -190.31785 8.38183 2.63107 -189.69444 816.48127
3860.0000 -198.38616 -189.65996 8.72620 2.61072 -190.07538 822.11315
3865.0000 -198.34763 -189.30701 9.04062 2.62706 -189.76954 835.44426
3870.0000 -198.93304 -189.75288 9.18016 2.64502 -189.43331 827.87244
3875.0000 -197.58647 -188.86926 8.71721 2.65072 -189.32661 845.21317
3880.0000 -197.30302 -188.07577 9.22725 2.69396 -188.51704 856.75477
3885.0000 -197.09089 -185.21011 11.88078 2.78374 -186.83635 926.59529
3890.0000 -198.13723 -188.89441 9.24282 2.79098 -186.70067 921.07816
3895.0000 -198.12781 -189.20290 8.92491 2.64899 -189.35900 833.08401
3900.0000 -197.52848 -188.43905 9.08943 2.65253 -189.29271 827.65323
3905.0000 -198.64452 -188.78564 9.85888 2.70221 -188.36266 872.35416
3910.0000 -195.79740 -186.02723 9.77016 2.78790 -186.75848 932.47536
3915.0000 -197.10053 -188.05983 9.04070 2.80233 -186.48832 938.42820
3920.0000 -197.36109 -188.14257 9.21852 2.73633 -187.72390 871.14808
3925.0000 -197.11716 -187.66402 9.45314 2.72783 -187.88301 900.58814
3930.0000 -197.88169 -188.15294 9.72875 2.66010 -189.15096 838.05889
3935.0000 -198.35368 -188.74060 9.61308 2.67626 -188.84848 859.72539
3940.0000 -196.82727 -188.31643 8.51085 2.69344 -188.52672 884.79373
3945.0000 -196.99817 -188.51500 8.48316 2.68359 -188.71125 864.84663
3950.0000 -196.71491 -188.19698 8.51792 2.71124 -188.19346 813.63742
3955.0000 -198.04816 -187.90694 10.14122 2.73975 -187.65981 896.25636
3960.0000 -196.19627 -187.12351 9.07276 2.68643 -188.65801 838.29756
3965.0000 -196.54469 -188.77105 7.77363 2.70061 -188.39252 868.67278
3970.0000 -197.93109 -189.10191 8.82918 2.63923 -189.54153 839.55171
3975.0000 -199.14642 -190.21477 8.93164 2.63281 -189.66174 816.06123
3980.0000 -197.17005 -187.93423 9.23583 2.68718 -188.64394 873.06878
3985.0000 -198.23445 -188.51715 9.71730 2.76880 -187.11598 935.48454
3990.0000 -197.23270 -188.67362 8.55908 2.72187 -187.99447 908.22085
3995.0000 -197.52045 -187.57507 9.94538 2.66541 -189.05155 854.76884
4000.0000 -197.35313 -188.41790 8.93522 2.76346 -187.21593 922.90605
FREEZING PROCESS: loop number 17 T-loop= 839.00000000000000
main_MD> interactions number 17 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.23588 0.09016 5.09434
force_rgl> df(natom) -2.24173 3.31435 1.82901
4005.0000 -197.58714 -189.03096 8.55619 2.68160 -188.74837 874.02389
4010.0000 -198.60757 -189.50693 9.10064 2.67149 -188.93764 858.00310
4015.0000 -197.66166 -189.63273 8.02893 2.64455 -189.44206 861.96941
4020.0000 -198.03517 -189.22142 8.81376 2.62428 -189.82150 807.33005
4025.0000 -195.74266 -187.47848 8.26419 2.68700 -188.64739 867.26038
4030.0000 -198.18369 -189.09297 9.09072 2.66913 -188.98181 861.69956
4035.0000 -198.84428 -189.40248 9.44180 2.60664 -190.15164 813.45698
4040.0000 -199.89878 -190.74794 9.15084 2.60316 -190.21679 828.60907
4045.0000 -198.56458 -189.14707 9.41751 2.62335 -189.83894 823.66716
4050.0000 -199.73140 -190.93355 8.79785 2.59821 -190.30949 821.02344
4055.0000 -197.98382 -190.48393 7.49988 2.58313 -190.59185 789.14384
4060.0000 -196.99121 -186.64477 10.34643 2.67257 -188.91744 854.26393
4065.0000 -197.49831 -188.80881 8.68950 2.68524 -188.68028 856.55524
4070.0000 -196.40504 -188.01247 8.39257 2.68290 -188.72405 847.10365
4075.0000 -198.11671 -189.50163 8.61508 2.68673 -188.65239 850.62081
4080.0000 -198.64666 -190.28968 8.35698 2.60272 -190.22519 798.01375
4085.0000 -198.50241 -190.36917 8.13324 2.61107 -190.06879 803.92760
4090.0000 -199.31957 -190.20284 9.11673 2.55828 -191.05714 776.70492
4095.0000 -198.38042 -191.22078 7.15963 2.57359 -190.77054 794.78322
4100.0000 -198.69080 -189.12566 9.56514 2.60473 -190.18752 755.09400
4105.0000 -197.62957 -187.90040 9.72917 2.70659 -188.28065 870.71320
4110.0000 -197.68770 -189.24817 8.43952 2.70656 -188.28107 888.30262
4115.0000 -199.10057 -190.63816 8.46241 2.61611 -189.97441 839.69209
4120.0000 -199.10098 -190.06120 9.03978 2.54765 -191.25600 772.96695
4125.0000 -198.31762 -190.79331 7.52431 2.57604 -190.72454 794.95543
4130.0000 -198.91812 -191.19562 7.72250 2.55692 -191.08259 780.26643
4135.0000 -196.93531 -187.30365 9.63166 2.62968 -189.72038 821.12795
4140.0000 -197.71456 -188.46000 9.25456 2.72447 -187.94581 880.48043
4145.0000 -196.42287 -189.12936 7.29350 2.68933 -188.60372 827.75726
4150.0000 -197.98233 -189.14916 8.83318 2.65269 -189.28955 814.25362
4155.0000 -199.02625 -189.23873 9.78752 2.63409 -189.63784 820.42981
4160.0000 -198.57369 -189.92122 8.65247 2.61836 -189.93229 811.08898
4165.0000 -199.22891 -189.86562 9.36329 2.60323 -190.21557 800.37733
4170.0000 -197.73436 -189.27395 8.46042 2.63400 -189.63944 825.27761
4175.0000 -197.07670 -188.90121 8.17549 2.69988 -188.40622 888.12987
4180.0000 -198.82103 -190.18573 8.63530 2.63755 -189.57299 834.61814
4185.0000 -196.80240 -188.02513 8.77728 2.68270 -188.72781 863.92290
4190.0000 -199.45957 -189.19128 10.26830 2.65185 -189.30529 853.34701
4195.0000 -198.35772 -188.89624 9.46148 2.65986 -189.15532 841.46578
4200.0000 -197.74656 -188.57656 9.16999 2.67393 -188.89203 871.79243
4205.0000 -197.22205 -187.88315 9.33890 2.70748 -188.26388 893.56921
4210.0000 -198.19799 -187.98574 10.21225 2.72551 -187.92632 894.33705
4215.0000 -197.52828 -186.23907 11.28921 2.76525 -187.18241 882.19333
4220.0000 -196.93105 -188.06828 8.86277 2.76886 -187.11487 913.25767
4225.0000 -197.19009 -187.86911 9.32098 2.69047 -188.58232 871.81590
4230.0000 -198.27824 -189.70108 8.57716 2.67007 -188.96436 844.05395
4235.0000 -196.50090 -186.46690 10.03400 2.69653 -188.46894 873.91250
4240.0000 -196.70751 -185.90246 10.80505 2.83727 -185.83417 948.95911
4245.0000 -197.00101 -187.49347 9.50755 2.78762 -186.76361 904.36926
4250.0000 -197.96485 -188.20911 9.75573 2.72639 -187.90992 877.75120
FREEZING PROCESS: loop number 18 T-loop= 814.00000000000000
main_MD> interactions number 18 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62769 2.25098 -1.65309
force_rgl> df(natom) -1.67136 0.80884 2.15869
4255.0000 -196.54676 -188.15162 8.39514 2.74893 -187.48791 891.10211
4260.0000 -197.32891 -188.89628 8.43264 2.67793 -188.81717 829.18428
4265.0000 -197.42912 -189.45840 7.97071 2.71406 -188.14067 878.64459
4270.0000 -197.83522 -190.92710 6.90812 2.63694 -189.58441 816.83136
4275.0000 -199.72972 -191.41071 8.31901 2.56519 -190.92769 787.53891
4280.0000 -198.47871 -191.07421 7.40450 2.56177 -190.99179 819.08234
4285.0000 -198.95235 -189.86450 9.08785 2.57500 -190.74409 780.48857
4290.0000 -198.20942 -190.13459 8.07483 2.58514 -190.55420 815.66308
4295.0000 -198.85175 -190.30975 8.54200 2.57735 -190.70003 782.56668
4300.0000 -198.18580 -190.31987 7.86593 2.57947 -190.66035 795.23315
4305.0000 -197.26454 -190.03029 7.23425 2.60723 -190.14077 809.53568
4310.0000 -198.38320 -190.06864 8.31456 2.62106 -189.88177 808.80236
4315.0000 -198.33437 -189.90061 8.43376 2.58062 -190.63893 800.53044
4320.0000 -198.12425 -190.46347 7.66078 2.64056 -189.51671 815.22194
4325.0000 -199.59915 -190.34417 9.25499 2.61428 -190.00868 826.43640
4330.0000 -197.95553 -190.40403 7.55150 2.57036 -190.83089 799.07141
4335.0000 -198.77433 -189.89670 8.87762 2.57186 -190.80289 769.28922
4340.0000 -199.30253 -190.11852 9.18401 2.65061 -189.32849 830.29055
4345.0000 -197.17292 -189.21879 7.95413 2.70160 -188.37404 877.05685
4350.0000 -199.47090 -192.63377 6.83713 2.58822 -190.49657 807.48772
4355.0000 -198.88937 -190.80709 8.08228 2.50949 -191.97043 737.29070
4360.0000 -196.92857 -188.12906 8.79951 2.60415 -190.19838 812.39802
4365.0000 -196.52468 -188.44460 8.08008 2.69739 -188.45274 855.48254
4370.0000 -198.14636 -189.79980 8.34656 2.66725 -189.01711 828.93164
4375.0000 -198.68689 -190.05453 8.63236 2.60837 -190.11927 806.77237
4380.0000 -196.77926 -189.10666 7.67259 2.59348 -190.39810 784.93882
4385.0000 -200.29306 -190.35602 9.93703 2.65190 -189.30452 848.49675
4390.0000 -197.08086 -188.78722 8.29365 2.62696 -189.77132 826.69865
4395.0000 -197.72918 -190.51094 7.21824 2.62821 -189.74793 817.29349
4400.0000 -198.36261 -187.34032 11.02229 2.68632 -188.66007 858.64135
4405.0000 -199.39596 -190.15364 9.24231 2.70143 -188.37718 876.91836
4410.0000 -197.94807 -189.78103 8.16705 2.62785 -189.75471 816.75983
4415.0000 -197.39127 -188.54581 8.84546 2.62146 -189.87426 796.61973
4420.0000 -197.87254 -190.18552 7.68701 2.66565 -189.04704 845.78549
4425.0000 -199.35322 -191.33012 8.02310 2.54462 -191.31281 779.19532
4430.0000 -199.20418 -189.64377 9.56041 2.59478 -190.37370 821.89752
4435.0000 -197.16661 -189.01675 8.14986 2.67891 -188.79886 853.87239
4440.0000 -198.33332 -189.92062 8.41269 2.66830 -188.99736 850.06280
4445.0000 -199.10767 -191.65576 7.45191 2.60165 -190.24515 780.96715
4450.0000 -198.69482 -190.83897 7.85585 2.54613 -191.28455 772.75338
4455.0000 -196.03018 -187.61959 8.41058 2.67820 -188.81212 828.09335
4460.0000 -199.62797 -190.68135 8.94662 2.71496 -188.12397 883.30419
4465.0000 -198.48747 -190.53292 7.95455 2.54810 -191.24755 775.63368
4470.0000 -198.12054 -189.43125 8.68929 2.61325 -190.02797 809.24824
4475.0000 -200.51851 -191.60063 8.91789 2.55919 -191.03997 750.75743
4480.0000 -200.01787 -191.09313 8.92474 2.53402 -191.51125 770.49789
4485.0000 -199.19484 -191.06660 8.12824 2.56010 -191.02300 778.89578
4490.0000 -200.23046 -190.73003 9.50043 2.54350 -191.33382 763.20453
4495.0000 -200.43194 -191.56490 8.86704 2.53362 -191.51876 747.30578
4500.0000 -198.57759 -190.22244 8.35515 2.60103 -190.25667 806.70616
FREEZING PROCESS: loop number 19 T-loop= 789.00000000000000
main_MD> interactions number 19 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.66570 -0.74951 -2.03751
force_rgl> df(natom) 1.25087 -4.91041 -2.65898
4505.0000 -201.03763 -190.16591 10.87172 2.60840 -190.11882 814.57948
4510.0000 -198.47802 -190.32362 8.15440 2.58148 -190.62271 798.26908
4515.0000 -198.93140 -190.73751 8.19390 2.50916 -191.97672 737.31011
4520.0000 -198.21012 -189.78104 8.42908 2.61222 -190.04734 813.33288
4525.0000 -198.26576 -190.19149 8.07427 2.63312 -189.65603 835.74971
4530.0000 -198.59680 -190.25739 8.33941 2.59854 -190.30337 824.24825
4535.0000 -198.12680 -190.16314 7.96365 2.59250 -190.41648 814.53815
4540.0000 -199.37878 -190.85528 8.52350 2.57658 -190.71451 801.82823
4545.0000 -198.26675 -188.67363 9.59312 2.60003 -190.27553 786.26910
4550.0000 -199.32167 -191.08766 8.23402 2.61851 -189.92951 804.74976
4555.0000 -198.10774 -191.14390 6.96384 2.52335 -191.71101 726.27582
4560.0000 -199.86897 -190.52725 9.34173 2.59164 -190.43250 802.54837
4565.0000 -197.75282 -188.39958 9.35324 2.62667 -189.77680 790.90937
4570.0000 -196.69167 -187.42215 9.26952 2.70611 -188.28966 838.76329
4575.0000 -197.60626 -188.13868 9.46758 2.77209 -187.05444 891.36999
4580.0000 -199.83425 -191.84707 7.98718 2.62686 -189.77326 825.27585
4585.0000 -199.98304 -189.91381 10.06923 2.60161 -190.24598 798.14852
4590.0000 -199.37045 -191.15071 8.21974 2.63579 -189.60606 831.97476
4595.0000 -197.75138 -188.20156 9.54982 2.65845 -189.18172 830.78160
4600.0000 -197.69319 -189.97544 7.71775 2.62769 -189.75759 815.44258
4605.0000 -198.05302 -190.41140 7.64162 2.60364 -190.20797 801.61306
4610.0000 -198.21830 -190.03313 8.18517 2.62700 -189.77067 819.98204
4615.0000 -198.50259 -190.24508 8.25751 2.61375 -190.01862 803.97120
4620.0000 -198.60214 -189.20904 9.39310 2.60769 -190.13206 795.22600
4625.0000 -198.58538 -190.61990 7.96548 2.61565 -189.98307 817.55681
4630.0000 -198.52705 -191.05516 7.47189 2.59770 -190.31918 794.76891
4635.0000 -199.25061 -191.15143 8.09918 2.58109 -190.63005 808.47669
4640.0000 -199.14173 -190.59891 8.54282 2.59569 -190.35672 811.11318
4645.0000 -199.78390 -191.26059 8.52331 2.53189 -191.55103 764.25014
4650.0000 -196.74443 -189.02351 7.72093 2.61873 -189.92544 797.60241
4655.0000 -199.37173 -188.88993 10.48179 2.66214 -189.11266 866.58407
4660.0000 -197.32164 -190.48236 6.83928 2.62403 -189.82626 838.57657
4665.0000 -199.12932 -190.91767 8.21165 2.62496 -189.80872 816.50849
4670.0000 -199.65990 -192.40261 7.25729 2.51831 -191.80543 759.38763
4675.0000 -199.06986 -190.30992 8.75993 2.54721 -191.26437 767.63264
4680.0000 -199.59036 -191.39498 8.19538 2.55328 -191.15065 759.14801
4685.0000 -198.78904 -190.70313 8.08591 2.53779 -191.44058 748.01661
4690.0000 -198.87464 -189.87128 9.00336 2.60304 -190.21908 809.34912
4695.0000 -199.07406 -191.53037 7.54369 2.58773 -190.50569 780.33903
4700.0000 -199.28352 -192.19503 7.08849 2.51960 -191.78119 725.92822
4705.0000 -200.06222 -192.68616 7.37607 2.51858 -191.80034 738.33318
4710.0000 -199.46257 -190.73555 8.72702 2.49421 -192.25644 752.64583
4715.0000 -199.70922 -191.92279 7.78644 2.55070 -191.19896 780.07953
4720.0000 -199.65938 -190.37519 9.28419 2.51660 -191.83726 780.92239
4725.0000 -199.21238 -190.57595 8.63643 2.57707 -190.70531 786.62458
4730.0000 -198.02821 -190.42022 7.60799 2.54415 -191.32151 761.06254
4735.0000 -199.66983 -190.82131 8.84852 2.57570 -190.73086 792.94583
4740.0000 -199.93877 -191.55661 8.38217 2.56068 -191.01221 798.75022
4745.0000 -198.02711 -190.25709 7.77001 2.54475 -191.31045 770.68627
4750.0000 -199.21406 -191.35993 7.85414 2.52294 -191.71872 760.26479
FREEZING PROCESS: loop number 20 T-loop= 764.00000000000000
main_MD> interactions number 20 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.07590 -5.36094 4.85410
force_rgl> df(natom) 4.35347 3.05919 0.65115
4755.0000 -199.40999 -191.08499 8.32499 2.56945 -190.84787 787.05454
4760.0000 -199.54717 -191.99390 7.55327 2.54500 -191.30567 785.87097
4765.0000 -200.02306 -192.23244 7.79062 2.48920 -192.35039 707.30676
4770.0000 -199.19954 -191.61841 7.58113 2.49441 -192.25271 738.99892
4775.0000 -199.18780 -190.34391 8.84389 2.51672 -191.83510 758.81912
4780.0000 -198.84324 -191.88267 6.96058 2.55673 -191.08608 771.73479
4785.0000 -198.39103 -191.76489 6.62614 2.50468 -192.06053 748.92873
4790.0000 -201.11624 -194.01247 7.10377 2.51797 -191.81166 764.56374
4795.0000 -199.73669 -192.80436 6.93232 2.41243 -193.78741 677.17934
4800.0000 -199.51134 -191.62810 7.88324 2.51153 -191.93235 774.12019
4805.0000 -199.20025 -190.45496 8.74529 2.50757 -192.00647 765.09462
4810.0000 -200.31745 -192.52932 7.78814 2.56725 -190.88914 791.61659
4815.0000 -199.90682 -192.58045 7.32638 2.47349 -192.64445 738.36137
4820.0000 -198.59252 -191.24011 7.35242 2.51303 -191.90423 741.16277
4825.0000 -197.94754 -189.44910 8.49844 2.59217 -190.42269 768.45746
4830.0000 -198.54188 -191.59575 6.94614 2.60625 -190.15896 802.66026
4835.0000 -198.93574 -190.50688 8.42887 2.54689 -191.27025 783.20040
4840.0000 -199.07572 -191.14096 7.93476 2.55380 -191.14087 804.36745
4845.0000 -199.29919 -191.05494 8.24425 2.57079 -190.82294 803.89095
4850.0000 -199.00224 -191.60054 7.40170 2.50991 -191.96256 755.76413
4855.0000 -199.74959 -191.62728 8.12232 2.50470 -192.06007 741.65505
4860.0000 -199.66755 -191.02430 8.64325 2.54196 -191.36259 778.50115
4865.0000 -199.98616 -192.69925 7.28691 2.51025 -191.95626 747.35315
4870.0000 -200.87218 -192.79746 8.07472 2.47370 -192.64045 742.33426
4875.0000 -199.64365 -191.28208 8.36157 2.48401 -192.44743 740.64292
4880.0000 -200.68929 -193.30032 7.38897 2.51325 -191.90010 766.23280
4885.0000 -201.18276 -193.86516 7.31760 2.38768 -194.25092 677.97002
4890.0000 -199.48517 -191.92556 7.55961 2.44968 -193.09010 711.72296
4895.0000 -201.04872 -192.19783 8.85089 2.53937 -191.41116 771.95547
4900.0000 -200.07486 -192.79203 7.28283 2.47577 -192.60177 725.49783
4905.0000 -198.90065 -191.75445 7.14620 2.52085 -191.75774 729.63372
4910.0000 -199.74951 -191.95781 7.79170 2.56927 -190.85126 757.06248
4915.0000 -201.25514 -193.74560 7.50954 2.46544 -192.79505 711.36150
4920.0000 -199.70125 -192.67534 7.02592 2.40770 -193.87612 683.48690
4925.0000 -201.68226 -193.47587 8.20639 2.41873 -193.66956 729.32931
4930.0000 -200.07144 -192.94678 7.12466 2.45969 -192.90266 748.39342
4935.0000 -199.10600 -190.71770 8.38830 2.49702 -192.20382 737.87497
4940.0000 -199.25246 -190.16640 9.08606 2.56960 -190.84513 772.06247
4945.0000 -200.88567 -192.42911 8.45656 2.55953 -191.03372 799.30711
4950.0000 -200.89216 -193.25408 7.63808 2.44939 -193.09566 718.14328
4955.0000 -200.74023 -193.59126 7.14897 2.45950 -192.90626 721.21200
4960.0000 -200.95030 -194.38880 6.56150 2.39892 -194.04041 705.28822
4965.0000 -199.75242 -192.81600 6.93642 2.44858 -193.11072 734.16472
4970.0000 -200.05252 -192.17077 7.88175 2.51264 -191.91140 774.83764
4975.0000 -199.87510 -191.25795 8.61716 2.51765 -191.81766 765.50308
4980.0000 -199.38929 -191.48190 7.90739 2.56223 -190.98304 785.13145
4985.0000 -200.87334 -192.39230 8.48105 2.48395 -192.44861 716.37999
4990.0000 -199.98166 -193.04261 6.93905 2.48685 -192.39431 729.49648
4995.0000 -200.66335 -192.94386 7.71949 2.42717 -193.51158 675.63923
5000.0000 -200.20400 -191.01989 9.18411 2.49517 -192.23845 751.18675
FREEZING PROCESS: loop number 21 T-loop= 739.00000000000000
main_MD> interactions number 21 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.24088 -1.02849 -2.75827
force_rgl> df(natom) -1.43857 0.56723 2.32710
5005.0000 -199.22888 -192.29824 6.93065 2.51303 -191.90419 750.34905
5010.0000 -199.94352 -191.51148 8.43204 2.53367 -191.51784 758.10192
5015.0000 -200.59906 -191.69595 8.90311 2.50034 -192.14181 746.57474
5020.0000 -200.00956 -192.31942 7.69014 2.49473 -192.24680 769.18902
5025.0000 -199.49158 -191.80911 7.68247 2.54185 -191.36458 782.16164
5030.0000 -198.92274 -191.13788 7.78486 2.52096 -191.75570 768.01061
5035.0000 -199.68086 -191.12400 8.55687 2.56523 -190.92705 786.63093
5040.0000 -198.73116 -191.44252 7.28864 2.55505 -191.11750 755.14274
5045.0000 -199.23757 -192.29696 6.94061 2.53327 -191.52529 746.43664
5050.0000 -200.90631 -193.72520 7.18111 2.44346 -193.20653 723.71875
5055.0000 -201.08821 -192.63971 8.44850 2.40571 -193.91321 694.58062
5060.0000 -200.26052 -191.44045 8.82007 2.48617 -192.40705 734.52756
5065.0000 -199.00795 -192.10545 6.90251 2.49288 -192.28136 731.16964
5070.0000 -200.64462 -193.85070 6.79392 2.44247 -193.22519 686.64283
5075.0000 -200.63558 -193.40956 7.22601 2.42546 -193.54351 691.45671
5080.0000 -200.23086 -191.97388 8.25698 2.44742 -193.13239 687.77108
5085.0000 -200.69378 -193.21424 7.47954 2.44576 -193.16347 706.37121
5090.0000 -200.10235 -192.01145 8.09090 2.47194 -192.67336 738.23794
5095.0000 -198.68642 -191.86517 6.82125 2.48038 -192.51549 722.01037
5100.0000 -199.46542 -192.21668 7.24873 2.48069 -192.50967 736.48765
5105.0000 -199.84975 -192.69201 7.15774 2.51635 -191.84196 747.50554
5110.0000 -199.27255 -190.88270 8.38985 2.53073 -191.57280 749.78325
5115.0000 -200.82237 -193.19276 7.62960 2.53452 -191.50185 769.39789
5120.0000 -200.55833 -193.09615 7.46218 2.43902 -193.28980 715.70206
5125.0000 -199.58089 -192.20147 7.37942 2.49136 -192.30990 746.44084
5130.0000 -200.11621 -191.70942 8.40680 2.54996 -191.21291 759.70871
5135.0000 -200.14063 -191.96242 8.17821 2.54521 -191.30183 800.89143
5140.0000 -199.38902 -190.99115 8.39786 2.54993 -191.21344 776.85260
5145.0000 -199.76654 -191.00654 8.76000 2.57031 -190.83179 781.06179
5150.0000 -199.70697 -191.97388 7.73309 2.54603 -191.28636 759.29377
5155.0000 -199.30031 -191.12162 8.17869 2.52783 -191.62707 748.52081
5160.0000 -199.59112 -190.76490 8.82623 2.60130 -190.25175 827.08771
5165.0000 -199.02164 -191.56775 7.45390 2.58138 -190.62471 795.89181
5170.0000 -199.94705 -192.82301 7.12404 2.49288 -192.28148 748.74246
5175.0000 -200.30916 -193.05157 7.25759 2.45501 -192.99030 719.50640
5180.0000 -200.38185 -193.18256 7.19929 2.42138 -193.61995 663.22130
5185.0000 -200.47770 -192.94327 7.53443 2.43387 -193.38616 698.06480
5190.0000 -199.97984 -193.07252 6.90732 2.50773 -192.00345 745.77310
5195.0000 -200.54234 -193.64295 6.89940 2.43631 -193.34041 684.34967
5200.0000 -200.12801 -192.84376 7.28426 2.45264 -193.03470 711.83345
5205.0000 -200.69442 -193.84122 6.85320 2.44435 -193.18996 719.39716
5210.0000 -200.90276 -194.00370 6.89905 2.41297 -193.77739 713.23668
5215.0000 -199.85373 -193.41142 6.44231 2.44442 -193.18863 715.11001
5220.0000 -200.52108 -192.28353 8.23756 2.44594 -193.16020 710.47464
5225.0000 -199.61920 -193.11342 6.50578 2.44313 -193.21282 715.16781
5230.0000 -200.85453 -193.83984 7.01469 2.47223 -192.66790 747.60377
5235.0000 -200.41591 -193.33538 7.08053 2.41549 -193.73024 679.57239
5240.0000 -198.85681 -190.85081 8.00599 2.50141 -192.12177 724.63556
5245.0000 -200.19152 -193.44197 6.74955 2.46693 -192.76712 727.17611
5250.0000 -201.16348 -194.97589 6.18759 2.40794 -193.87150 696.76848
FREEZING PROCESS: loop number 22 T-loop= 714.00000000000000
main_MD> interactions number 22 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50749 1.72300 0.07976
force_rgl> df(natom) 1.74588 -0.13859 -1.07909
5255.0000 -201.45328 -193.77135 7.68193 2.38137 -194.36899 660.76905
5260.0000 -200.13407 -191.55616 8.57791 2.48392 -192.44923 732.30568
5265.0000 -200.06958 -191.80528 8.26430 2.52650 -191.65203 764.45252
5270.0000 -199.72743 -193.13357 6.59386 2.44396 -193.19723 696.68608
5275.0000 -201.33025 -192.84287 8.48737 2.45559 -192.97945 730.63585
5280.0000 -200.74257 -192.41535 8.32723 2.45503 -192.99004 710.48641
5285.0000 -201.10677 -194.05810 7.04867 2.45739 -192.94573 715.31159
5290.0000 -201.43606 -193.56389 7.87217 2.48072 -192.50901 734.44753
5295.0000 -200.15022 -193.88131 6.26891 2.39568 -194.10107 668.58722
5300.0000 -201.95659 -194.13813 7.81846 2.41067 -193.82047 691.63732
5305.0000 -201.85550 -194.07570 7.77980 2.36577 -194.66108 661.37756
5310.0000 -200.08584 -193.07471 7.01112 2.39411 -194.13045 690.04923
5315.0000 -201.70747 -193.41783 8.28964 2.46625 -192.77985 729.06480
5320.0000 -200.39306 -194.12288 6.27018 2.39138 -194.18151 674.14975
5325.0000 -201.92045 -194.41699 7.50346 2.39564 -194.10182 676.02311
5330.0000 -201.53170 -193.72895 7.80275 2.38052 -194.38488 672.55616
5335.0000 -201.62466 -193.75216 7.87250 2.39039 -194.20016 685.27649
5340.0000 -201.54417 -194.36884 7.17533 2.42190 -193.61023 708.55407
5345.0000 -199.89454 -193.06851 6.82602 2.45117 -193.06233 709.68654
5350.0000 -199.91916 -192.70069 7.21847 2.45513 -192.98806 711.85865
5355.0000 -201.02238 -193.69087 7.33151 2.48099 -192.50399 723.91304
5360.0000 -201.32555 -193.88802 7.43752 2.41554 -193.72928 676.58420
5365.0000 -200.68996 -193.78117 6.90879 2.39517 -194.11064 697.07757
5370.0000 -199.91597 -193.43458 6.48139 2.44488 -193.17991 707.21492
5375.0000 -200.79845 -194.47790 6.32055 2.39092 -194.19017 683.89874
5380.0000 -201.48873 -192.89362 8.59512 2.42829 -193.49055 721.02429
5385.0000 -201.07745 -193.49941 7.57804 2.39321 -194.14728 688.23761
5390.0000 -201.62882 -194.46718 7.16164 2.40098 -194.00179 674.59990
5395.0000 -201.41480 -193.29530 8.11950 2.40628 -193.90271 686.45369
5400.0000 -200.98741 -193.89576 7.09165 2.42725 -193.50996 698.11309
5405.0000 -200.23043 -193.56064 6.66979 2.39860 -194.04643 672.71519
5410.0000 -199.66839 -192.79620 6.87219 2.42590 -193.53535 705.75599
5415.0000 -201.00355 -192.52286 8.48069 2.49883 -192.17008 746.77467
5420.0000 -201.71517 -195.33506 6.38011 2.39263 -194.15818 690.00946
5425.0000 -200.64862 -193.96291 6.68571 2.42030 -193.64018 699.61483
5430.0000 -200.85898 -192.80415 8.05483 2.44396 -193.19725 704.60730
5435.0000 -200.21569 -192.51930 7.69639 2.46878 -192.73257 734.57012
5440.0000 -198.01074 -189.41586 8.59489 2.57439 -190.75549 787.79685
5445.0000 -199.08850 -191.69739 7.39111 2.58816 -190.49771 794.40935
5450.0000 -199.06523 -191.50170 7.56352 2.50510 -192.05264 727.62614
5455.0000 -197.69544 -191.51486 6.18058 2.52194 -191.73743 761.31747
5460.0000 -200.97488 -193.86981 7.10507 2.44542 -193.16985 700.77547
5465.0000 -201.59132 -194.50693 7.08439 2.35229 -194.91336 639.46322
5470.0000 -200.81423 -194.97500 5.83923 2.42093 -193.62833 688.49634
5475.0000 -201.73218 -193.80661 7.92557 2.37516 -194.48513 645.90700
5480.0000 -200.75156 -193.58018 7.17138 2.43500 -193.36489 718.52769
5485.0000 -199.35335 -192.24641 7.10694 2.50314 -192.08933 732.85539
5490.0000 -200.54211 -192.26005 8.28207 2.49780 -192.18928 745.85143
5495.0000 -199.16279 -191.24687 7.91592 2.53844 -191.42842 749.63808
5500.0000 -199.82460 -191.48292 8.34167 2.56196 -190.98809 783.51927
FREEZING PROCESS: loop number 23 T-loop= 689.00000000000000
main_MD> interactions number 23 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.59141 -1.82353 1.76792
force_rgl> df(natom) 1.12418 1.45748 1.45278
5505.0000 -199.40472 -192.11001 7.29471 2.50546 -192.04597 758.14071
5510.0000 -201.66405 -193.86843 7.79563 2.46231 -192.85372 717.98445
5515.0000 -201.42297 -193.08750 8.33546 2.43550 -193.35564 722.84031
5520.0000 -201.26636 -194.52039 6.74596 2.40099 -194.00162 706.89696
5525.0000 -200.66167 -194.28023 6.38144 2.35344 -194.89177 656.00531
5530.0000 -201.86242 -194.67525 7.18717 2.40533 -193.92040 678.67738
5535.0000 -200.81813 -193.14187 7.67626 2.42266 -193.59602 686.53180
5540.0000 -201.33416 -193.21502 8.11914 2.41306 -193.77570 682.29404
5545.0000 -201.26769 -194.87146 6.39623 2.40967 -193.83921 700.01053
5550.0000 -203.65574 -195.64183 8.01391 2.31970 -195.52341 673.14404
5555.0000 -201.12041 -193.42891 7.69150 2.36060 -194.75780 666.24630
5560.0000 -200.94566 -193.40356 7.54209 2.43181 -193.42474 704.48560
5565.0000 -199.71493 -193.85243 5.86250 2.41661 -193.70928 698.45853
5570.0000 -199.81649 -193.18492 6.63157 2.44727 -193.13526 698.86402
5575.0000 -199.17280 -191.87842 7.29438 2.47647 -192.58866 733.47142
5580.0000 -199.16598 -191.87052 7.29546 2.51212 -191.92128 734.57984
5585.0000 -201.58491 -194.27848 7.30644 2.43951 -193.28049 683.83037
5590.0000 -202.70718 -196.67033 6.03685 2.33789 -195.18292 649.04769
5595.0000 -202.69226 -195.98095 6.71131 2.27128 -196.42999 588.89602
5600.0000 -201.46518 -194.80715 6.65803 2.30415 -195.81454 621.63548
5605.0000 -201.45202 -193.58302 7.86900 2.40347 -193.95526 698.22117
5610.0000 -201.43571 -193.96154 7.47416 2.37584 -194.47250 690.52951
5615.0000 -201.92428 -194.88340 7.04088 2.36268 -194.71880 644.74056
5620.0000 -202.22148 -195.94414 6.27734 2.35670 -194.83080 662.11315
5625.0000 -202.78206 -196.93356 5.84850 2.25898 -196.66025 600.02196
5630.0000 -201.92492 -195.04630 6.87862 2.34070 -195.13037 646.26576
5635.0000 -200.62601 -192.70832 7.91769 2.37669 -194.45651 673.88643
5640.0000 -201.29685 -194.80605 6.49080 2.42850 -193.48670 701.69015
5645.0000 -201.02530 -193.70679 7.31851 2.39048 -194.19832 672.60261
5650.0000 -202.12049 -195.26002 6.86047 2.36790 -194.62114 646.29481
5655.0000 -201.59081 -195.09291 6.49790 2.30103 -195.87291 649.80327
5660.0000 -200.95285 -193.10252 7.85034 2.36703 -194.63732 672.30896
5665.0000 -200.59787 -192.83427 7.76360 2.44504 -193.17695 714.50374
5670.0000 -201.47844 -193.71268 7.76575 2.43143 -193.43176 695.44396
5675.0000 -200.66102 -193.57119 7.08984 2.39873 -194.04390 674.55735
5680.0000 -201.18172 -193.79315 7.38857 2.44291 -193.21682 729.08077
5685.0000 -201.36130 -192.92394 8.43736 2.43684 -193.33044 705.01316
5690.0000 -202.44961 -195.13117 7.31844 2.38890 -194.22802 686.43705
5695.0000 -202.26329 -195.33065 6.93264 2.37980 -194.39828 667.17223
5700.0000 -201.42348 -194.60918 6.81430 2.35660 -194.83274 654.91503
5705.0000 -202.34593 -194.86661 7.47931 2.42429 -193.56551 715.77085
5710.0000 -200.82016 -194.09548 6.72468 2.38707 -194.26226 686.05496
5715.0000 -200.08038 -194.15417 5.92621 2.39857 -194.04691 687.26584
5720.0000 -201.95619 -194.80343 7.15276 2.42563 -193.54046 711.71215
5725.0000 -201.28076 -194.14068 7.14008 2.36396 -194.69481 672.02717
5730.0000 -201.53345 -194.58873 6.94472 2.39117 -194.18558 686.99373
5735.0000 -200.52064 -194.07028 6.45036 2.38271 -194.34386 680.98530
5740.0000 -201.30325 -193.47882 7.82444 2.41360 -193.76557 704.52371
5745.0000 -199.88179 -192.93419 6.94760 2.39872 -194.04414 691.82894
5750.0000 -201.08495 -193.40267 7.68228 2.42984 -193.46162 705.17335
FREEZING PROCESS: loop number 24 T-loop= 664.00000000000000
main_MD> interactions number 24 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76079 0.89469 -3.48417
force_rgl> df(natom) 2.59569 -0.18178 -1.19042
5755.0000 -201.31026 -192.16360 9.14665 2.49330 -192.27349 738.66479
5760.0000 -199.33558 -192.14618 7.18940 2.51956 -191.78187 733.50462
5765.0000 -201.26037 -194.98676 6.27361 2.44794 -193.12279 703.34917
5770.0000 -201.52049 -194.39325 7.12724 2.34424 -195.06397 644.27387
5775.0000 -200.66864 -194.47870 6.18994 2.39220 -194.16617 668.09984
5780.0000 -200.84201 -194.37707 6.46495 2.34349 -195.07807 626.26454
5785.0000 -200.70495 -192.98202 7.72293 2.43392 -193.38521 713.02849
5790.0000 -201.68302 -194.97892 6.70410 2.37635 -194.46285 658.66155
5795.0000 -202.45080 -196.85728 5.59352 2.34032 -195.13753 648.42227
5800.0000 -201.44714 -194.38890 7.05824 2.27289 -196.39976 599.67011
5805.0000 -200.77663 -193.36527 7.41136 2.35621 -194.84004 657.91859
5810.0000 -200.22876 -193.00063 7.22813 2.42585 -193.53626 691.22039
5815.0000 -201.51633 -193.15139 8.36494 2.42170 -193.61389 712.46553
5820.0000 -201.61805 -194.70506 6.91300 2.38431 -194.31401 690.02293
5825.0000 -202.49794 -195.94837 6.54957 2.30621 -195.77599 649.28808
5830.0000 -202.84121 -196.50671 6.33449 2.28622 -196.15032 625.85885
5835.0000 -202.88364 -195.63086 7.25278 2.25842 -196.67060 618.42824
5840.0000 -202.49502 -195.64870 6.84632 2.31258 -195.65675 642.96803
5845.0000 -201.68176 -195.51036 6.17140 2.35614 -194.84122 639.81257
5850.0000 -201.45363 -194.43530 7.01833 2.35248 -194.90976 631.50454
5855.0000 -202.31940 -194.98739 7.33202 2.33868 -195.16820 633.15946
5860.0000 -200.54313 -193.32557 7.21755 2.37783 -194.43517 652.23007
5865.0000 -201.57578 -194.51193 7.06386 2.38386 -194.32230 661.90614
5870.0000 -202.98128 -194.78627 8.19501 2.32064 -195.50589 647.19452
5875.0000 -200.89836 -193.09102 7.80734 2.41310 -193.77487 678.52470
5880.0000 -199.63672 -192.64497 6.99175 2.47199 -192.67240 719.38123
5885.0000 -200.27910 -193.60766 6.67143 2.46677 -192.77027 724.15674
5890.0000 -201.78369 -192.70299 9.08071 2.42293 -193.59085 686.53687
5895.0000 -201.82717 -193.67978 8.14739 2.44644 -193.15087 724.89016
5900.0000 -202.27847 -195.13720 7.14127 2.35090 -194.93943 654.34706
5905.0000 -201.14416 -193.87675 7.26742 2.34734 -195.00601 683.05126
5910.0000 -201.44084 -194.45702 6.98382 2.39636 -194.08833 692.48631
5915.0000 -202.21910 -195.24318 6.97592 2.34142 -195.11681 632.14861
5920.0000 -202.58650 -194.50629 8.08021 2.34643 -195.02315 645.30242
5925.0000 -200.93467 -194.26613 6.66854 2.40968 -193.83894 698.32486
5930.0000 -200.89040 -192.60152 8.28888 2.42891 -193.47891 700.00044
5935.0000 -200.96863 -192.77799 8.19064 2.47206 -192.67116 730.54939
5940.0000 -199.60028 -192.39896 7.20132 2.43126 -193.43497 725.06607
5945.0000 -201.61453 -193.90515 7.70938 2.42504 -193.55147 675.05496
5950.0000 -199.43825 -192.50108 6.93717 2.44186 -193.23653 687.90115
5955.0000 -199.94457 -192.89595 7.04862 2.45013 -193.08172 698.32117
5960.0000 -201.03368 -194.14930 6.88438 2.39317 -194.14801 688.67417
5965.0000 -201.54066 -194.08513 7.45552 2.40510 -193.92463 688.31475
5970.0000 -201.90811 -194.26103 7.64708 2.39503 -194.11321 676.55408
5975.0000 -202.36907 -194.50996 7.85910 2.40129 -193.99603 685.45353
5980.0000 -201.87992 -195.61351 6.26641 2.35391 -194.88305 660.14485
5985.0000 -200.78514 -193.47915 7.30599 2.36705 -194.63701 672.07153
5990.0000 -203.54784 -196.08938 7.45846 2.34475 -195.05458 659.09415
5995.0000 -201.54903 -194.90033 6.64871 2.29858 -195.91890 615.22714
6000.0000 -200.97765 -195.61806 5.35959 2.35337 -194.89310 638.97828
FREEZING PROCESS: loop number 25 T-loop= 639.00000000000000
main_MD> interactions number 25 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.91224 -1.34677 -0.57749
force_rgl> df(natom) 3.13347 -6.72944 0.66109
6005.0000 -199.77232 -193.11826 6.65406 2.37449 -194.49779 666.89552
6010.0000 -201.57082 -193.43559 8.13523 2.42160 -193.61578 686.07040
6015.0000 -200.41104 -193.78912 6.62192 2.40857 -193.85970 679.98953
6020.0000 -201.30255 -194.20685 7.09570 2.42543 -193.54413 688.82669
6025.0000 -201.25029 -194.08734 7.16295 2.39669 -194.08216 678.41099
6030.0000 -201.98559 -194.85243 7.13316 2.37566 -194.47576 670.55266
6035.0000 -201.04518 -193.90670 7.13848 2.37578 -194.47369 675.70971
6040.0000 -201.86318 -195.58036 6.28281 2.34103 -195.12406 637.46746
6045.0000 -200.24944 -194.10526 6.14418 2.33784 -195.18384 638.88153
6050.0000 -200.22508 -194.64868 5.57640 2.40481 -193.93018 661.49856
6055.0000 -201.74217 -194.70745 7.03473 2.38436 -194.31296 661.28416
6060.0000 -203.88111 -196.48753 7.39358 2.28078 -196.25202 606.90097
6065.0000 -201.73486 -194.85911 6.87575 2.30452 -195.80767 628.77476
6070.0000 -202.05999 -195.27117 6.78882 2.32958 -195.33858 630.53168
6075.0000 -201.33513 -195.32145 6.01368 2.32584 -195.40857 615.55545
6080.0000 -201.24332 -194.75713 6.48618 2.35241 -194.91105 638.06479
6085.0000 -201.38173 -194.40306 6.97867 2.34737 -195.00547 638.72106
6090.0000 -202.41424 -195.49717 6.91707 2.34858 -194.98283 658.38882
6095.0000 -202.30715 -195.75862 6.54853 2.31157 -195.67570 614.05784
6100.0000 -201.77236 -194.75128 7.02108 2.32796 -195.36884 621.09897
6105.0000 -203.89397 -196.13043 7.76354 2.32610 -195.40369 639.35215
6110.0000 -202.57854 -196.38724 6.19130 2.30263 -195.84302 619.97003
6115.0000 -203.24786 -197.34094 5.90692 2.26944 -196.46444 587.84541
6120.0000 -202.77014 -196.33885 6.43130 2.21905 -197.40762 579.23160
6125.0000 -201.83137 -195.21195 6.61942 2.31228 -195.66238 666.24443
6130.0000 -201.86115 -194.23050 7.63065 2.31055 -195.69469 635.09155
6135.0000 -200.13293 -193.36287 6.77006 2.38822 -194.24076 667.40439
6140.0000 -202.75659 -196.19966 6.55693 2.37013 -194.57943 650.85740
6145.0000 -202.39071 -196.18330 6.20741 2.30114 -195.87100 627.61404
6150.0000 -202.58497 -195.79850 6.78647 2.28912 -196.09597 617.59346
6155.0000 -202.04435 -195.37146 6.67289 2.32198 -195.48081 641.82082
6160.0000 -201.62549 -194.79921 6.82627 2.35078 -194.94169 641.58249
6165.0000 -203.14301 -196.51463 6.62837 2.33677 -195.20391 646.24040
6170.0000 -203.28566 -195.40438 7.88127 2.29173 -196.04705 629.22340
6175.0000 -202.38671 -196.78602 5.60069 2.31020 -195.70136 626.73172
6180.0000 -201.42172 -195.34223 6.07949 2.32115 -195.49638 628.04182
6185.0000 -201.12572 -194.84518 6.28054 2.35311 -194.89797 635.74954
6190.0000 -202.00950 -196.06030 5.94920 2.32465 -195.43072 636.40397
6195.0000 -203.22432 -196.70354 6.52079 2.25981 -196.64461 628.32698
6200.0000 -202.52253 -195.32639 7.19614 2.28370 -196.19737 633.51996
6205.0000 -201.58165 -195.44862 6.13302 2.33278 -195.27861 645.24101
6210.0000 -200.14151 -193.24238 6.89913 2.40564 -193.91452 682.37966
6215.0000 -201.33094 -193.54420 7.78674 2.43221 -193.41722 725.72343
6220.0000 -201.55316 -194.51058 7.04258 2.43476 -193.36938 710.66453
6225.0000 -201.31351 -194.00564 7.30787 2.39417 -194.12937 698.28719
6230.0000 -201.29705 -194.27789 7.01917 2.41551 -193.72988 702.82871
6235.0000 -200.55406 -192.74077 7.81328 2.45888 -192.91782 730.89487
6240.0000 -201.10918 -193.89906 7.21012 2.40904 -193.85101 673.65382
6245.0000 -201.39961 -194.66995 6.72966 2.35360 -194.88892 648.47769
6250.0000 -201.45123 -195.16806 6.28317 2.33761 -195.18811 638.20811
FREEZING PROCESS: loop number 26 T-loop= 614.00000000000000
main_MD> interactions number 26 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.61182 -3.53943 -2.07235
force_rgl> df(natom) 0.24406 0.97839 -0.33148
6255.0000 -202.68109 -196.09105 6.59004 2.32014 -195.51520 626.33177
6260.0000 -202.62643 -197.01150 5.61492 2.29062 -196.06791 604.61666
6265.0000 -201.39179 -195.97144 5.42035 2.26160 -196.61119 582.26667
6270.0000 -201.92939 -196.15302 5.77637 2.28190 -196.23115 609.08279
6275.0000 -202.77966 -196.18972 6.58994 2.26761 -196.49858 611.22173
6280.0000 -202.88207 -195.81264 7.06943 2.27339 -196.39045 601.43553
6285.0000 -201.82706 -194.44457 7.38249 2.34308 -195.08585 650.05955
6290.0000 -201.82777 -195.19837 6.62939 2.35923 -194.78340 673.19036
6295.0000 -202.48640 -195.52941 6.95699 2.33052 -195.32091 633.97579
6300.0000 -202.84035 -195.74901 7.09134 2.30144 -195.86530 635.90056
6305.0000 -203.50371 -197.22919 6.27452 2.27289 -196.39981 599.65248
6310.0000 -201.84857 -195.34938 6.49919 2.30178 -195.85896 612.12422
6315.0000 -202.01162 -195.27726 6.73436 2.34660 -195.01993 639.83555
6320.0000 -203.31628 -196.45437 6.86191 2.30038 -195.88516 630.43668
6325.0000 -202.08223 -196.88391 5.19831 2.25860 -196.66736 582.77181
6330.0000 -202.20930 -195.20543 7.00388 2.26903 -196.47199 589.74302
6335.0000 -201.20853 -194.75838 6.45014 2.37292 -194.52715 660.34419
6340.0000 -201.79721 -195.42680 6.37041 2.34212 -195.10372 643.75861
6345.0000 -203.09241 -195.39674 7.69567 2.33263 -195.28142 635.88762
6350.0000 -201.25204 -195.62604 5.62600 2.31657 -195.58209 629.39761
6355.0000 -201.66294 -195.22616 6.43678 2.31637 -195.58585 639.02246
6360.0000 -201.50886 -195.33895 6.16991 2.29462 -195.99298 593.49684
6365.0000 -202.09242 -195.20047 6.89195 2.31684 -195.57691 645.07150
6370.0000 -203.35924 -197.04763 6.31161 2.27048 -196.44487 621.86603
6375.0000 -203.57586 -197.43586 6.14000 2.21945 -197.40026 586.49818
6380.0000 -203.89218 -197.96604 5.92615 2.21338 -197.51385 577.12697
6385.0000 -202.55523 -196.19599 6.35924 2.23299 -197.14673 566.22349
6390.0000 -203.18230 -196.41311 6.76918 2.27989 -196.26881 613.99012
6395.0000 -202.67019 -197.03105 5.63914 2.29346 -196.01469 636.72949
6400.0000 -203.65222 -196.68841 6.96382 2.26065 -196.62896 599.29209
6405.0000 -203.37412 -196.69288 6.68124 2.23844 -197.04472 584.17846
6410.0000 -203.80941 -198.22317 5.58624 2.23117 -197.18074 595.40380
6415.0000 -203.31313 -197.14445 6.16868 2.19569 -197.84504 565.90887
6420.0000 -202.77220 -197.18683 5.58537 2.23212 -197.16300 579.33545
6425.0000 -202.78602 -195.91325 6.87276 2.27416 -196.37593 617.92426
6430.0000 -202.73211 -196.34321 6.38890 2.29887 -195.91342 609.41682
6435.0000 -202.15680 -195.93498 6.22182 2.29165 -196.04854 595.43654
6440.0000 -203.87510 -197.13076 6.74434 2.27711 -196.32081 616.59799
6445.0000 -202.63870 -197.12469 5.51401 2.25068 -196.81556 586.52221
6450.0000 -203.16735 -197.82815 5.33920 2.22763 -197.24701 563.79406
6455.0000 -204.15437 -197.83011 6.32427 2.23681 -197.07523 573.68113
6460.0000 -203.81223 -197.71286 6.09936 2.21234 -197.53330 572.80022
6465.0000 -202.03523 -195.22899 6.80624 2.26222 -196.59955 606.38716
6470.0000 -202.44111 -195.67226 6.76886 2.37305 -194.52463 664.76975
6475.0000 -202.33878 -194.75295 7.58583 2.36719 -194.63437 655.07656
6480.0000 -203.83621 -197.40416 6.43205 2.29178 -196.04620 606.30153
6485.0000 -202.86648 -197.17423 5.69225 2.25162 -196.79803 588.05416
6490.0000 -202.81968 -196.90215 5.91754 2.21944 -197.40049 557.16088
6495.0000 -202.39149 -195.12010 7.27138 2.31074 -195.69113 624.18900
6500.0000 -203.79368 -197.62551 6.16817 2.29283 -196.02648 623.66323
FREEZING PROCESS: loop number 27 T-loop= 589.00000000000000
main_MD> interactions number 27 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.77343 1.21310 3.89308
force_rgl> df(natom) 3.88379 1.69873 -1.32319
6505.0000 -203.93333 -197.99804 5.93529 2.22577 -197.28183 604.96560
6510.0000 -203.76136 -197.51040 6.25096 2.20399 -197.68963 560.88521
6515.0000 -202.26596 -196.86728 5.39869 2.22552 -197.28656 558.97575
6520.0000 -202.51484 -196.18283 6.33201 2.26554 -196.53734 601.40641
6525.0000 -202.45586 -196.22886 6.22700 2.29607 -195.96580 618.94989
6530.0000 -204.68516 -198.11068 6.57448 2.24452 -196.93086 580.16731
6535.0000 -204.01442 -197.93721 6.07721 2.18114 -198.11734 548.31408
6540.0000 -203.49316 -197.50455 5.98861 2.19947 -197.77432 538.92548
6545.0000 -203.49617 -196.51803 6.97813 2.24723 -196.88013 571.63407
6550.0000 -202.87519 -197.29321 5.58198 2.24293 -196.96061 574.41591
6555.0000 -202.77856 -197.30243 5.47614 2.21394 -197.50343 543.18624
6560.0000 -204.76894 -197.20419 7.56475 2.22766 -197.24661 560.12975
6565.0000 -202.75138 -196.22825 6.52313 2.27001 -196.45374 591.25451
6570.0000 -203.20335 -196.42096 6.78239 2.27352 -196.38799 615.53234
6575.0000 -203.08156 -197.05084 6.03072 2.25319 -196.76861 611.97445
6580.0000 -203.83408 -197.38369 6.45039 2.23186 -197.16782 598.44405
6585.0000 -203.61899 -198.19759 5.42139 2.21269 -197.52681 588.14958
6590.0000 -203.17075 -198.46083 4.70992 2.19647 -197.83046 554.06608
6595.0000 -202.83017 -196.67458 6.15559 2.22086 -197.37390 571.59718
6600.0000 -201.64009 -195.58017 6.05992 2.27803 -196.30360 616.45979
6605.0000 -201.08384 -194.84857 6.23527 2.31619 -195.58910 638.05818
6610.0000 -201.15352 -195.73502 5.41851 2.31864 -195.54325 633.34303
6615.0000 -203.31100 -196.78536 6.52564 2.27266 -196.40401 586.38981
6620.0000 -202.06466 -195.84264 6.22202 2.30915 -195.72101 611.03680
6625.0000 -201.15700 -195.94498 5.21202 2.32756 -195.37623 609.25373
6630.0000 -202.83069 -195.70702 7.12367 2.31785 -195.55818 617.54425
6635.0000 -203.83184 -198.40890 5.42294 2.18833 -197.98287 541.08919
6640.0000 -203.73342 -197.87809 5.85533 2.15470 -198.61247 510.72440
6645.0000 -203.51196 -197.13437 6.37759 2.22110 -197.36941 581.29451
6650.0000 -203.04214 -197.04673 5.99541 2.24607 -196.90190 594.53653
6655.0000 -203.33993 -196.88703 6.45291 2.21158 -197.54751 572.10479
6660.0000 -201.67036 -196.78877 4.88158 2.26274 -196.58987 585.20435
6665.0000 -202.52235 -196.29537 6.22698 2.25990 -196.64291 585.54134
6670.0000 -202.45965 -196.19903 6.26062 2.30067 -195.87964 637.77289
6675.0000 -203.31020 -197.08920 6.22100 2.27498 -196.36064 605.04818
6680.0000 -203.31448 -197.11844 6.19604 2.20732 -197.62726 566.73639
6685.0000 -204.31673 -197.63025 6.68648 2.19702 -197.82017 566.19491
6690.0000 -203.85279 -197.24201 6.61078 2.23362 -197.13499 588.81401
6695.0000 -202.84477 -195.57065 7.27412 2.25638 -196.70894 616.76039
6700.0000 -202.38766 -195.93319 6.45447 2.26067 -196.62853 623.28418
6705.0000 -203.24575 -197.18059 6.06516 2.30102 -195.87310 619.52166
6710.0000 -202.80873 -197.13567 5.67306 2.23810 -197.05107 587.12845
6715.0000 -202.98266 -196.73675 6.24592 2.23621 -197.08655 572.68300
6720.0000 -202.72294 -196.93879 5.78414 2.25566 -196.72227 585.95371
6725.0000 -202.63185 -197.05446 5.57739 2.25737 -196.69026 572.86897
6730.0000 -203.28853 -197.55403 5.73450 2.23974 -197.02041 581.98585
6735.0000 -203.36754 -197.45218 5.91535 2.21473 -197.48852 555.29327
6740.0000 -202.35826 -196.74670 5.61157 2.22037 -197.38292 558.25051
6745.0000 -203.32563 -196.83190 6.49373 2.26239 -196.59629 587.35728
6750.0000 -202.12672 -195.66133 6.46538 2.29146 -196.05223 605.69801
FREEZING PROCESS: loop number 28 T-loop= 564.00000000000000
main_MD> interactions number 28 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56811 -3.90091 -0.43266
force_rgl> df(natom) 0.86641 -2.19585 2.21280
6755.0000 -201.96255 -196.41808 5.54447 2.28076 -196.25254 615.79754
6760.0000 -203.36077 -197.33573 6.02504 2.25821 -196.67461 572.10932
6765.0000 -202.48308 -195.29431 7.18877 2.26651 -196.51921 601.03518
6770.0000 -203.27912 -196.97582 6.30330 2.29411 -196.00252 608.71162
6775.0000 -204.13295 -198.23660 5.89635 2.21635 -197.45818 560.72220
6780.0000 -203.95129 -199.44484 4.50645 2.13474 -198.98598 540.57871
6785.0000 -204.69633 -198.57871 6.11761 2.14889 -198.72112 543.47990
6790.0000 -203.55957 -197.21199 6.34758 2.17438 -198.24400 560.95302
6795.0000 -203.71108 -197.45691 6.25417 2.21665 -197.45259 573.74975
6800.0000 -203.48324 -197.64115 5.84209 2.20605 -197.65105 576.59201
6805.0000 -204.62492 -198.55178 6.07315 2.20720 -197.62947 578.47468
6810.0000 -205.05175 -199.68839 5.36336 2.13763 -198.93191 541.82023
6815.0000 -205.86500 -200.44129 5.42371 2.07967 -200.01700 499.26899
6820.0000 -204.40278 -198.23797 6.16482 2.11897 -199.28129 520.22945
6825.0000 -203.86483 -197.75078 6.11405 2.20308 -197.70672 578.04507
6830.0000 -204.18777 -199.29428 4.89350 2.14009 -198.88590 538.10294
6835.0000 -203.78207 -198.33491 5.44716 2.13201 -199.03708 528.57566
6840.0000 -203.76475 -197.48286 6.28189 2.18866 -197.97657 577.26159
6845.0000 -202.75570 -196.89938 5.85631 2.23730 -197.06610 593.92594
6850.0000 -203.16360 -196.81597 6.34762 2.21382 -197.50564 572.26295
6855.0000 -203.20261 -197.63659 5.56602 2.22879 -197.22544 581.89575
6860.0000 -204.36460 -198.30061 6.06399 2.21389 -197.50429 586.97832
6865.0000 -205.38323 -199.99828 5.38495 2.13444 -198.99174 545.46909
6870.0000 -203.59858 -197.17665 6.42193 2.15725 -198.56462 553.71652
6875.0000 -203.33085 -196.92792 6.40293 2.24141 -196.98907 615.23521
6880.0000 -205.52843 -199.42573 6.10270 2.16532 -198.41356 547.70687
6885.0000 -203.88637 -198.23443 5.65195 2.16101 -198.49419 572.64742
6890.0000 -203.20950 -197.96322 5.24628 2.18005 -198.13786 564.53635
6895.0000 -204.31282 -198.25607 6.05675 2.18233 -198.09509 564.76981
6900.0000 -204.34294 -199.06431 5.27863 2.13403 -198.99931 536.16987
6905.0000 -204.68247 -199.67563 5.00684 2.13509 -198.97948 538.92717
6910.0000 -203.36242 -198.53740 4.82502 2.12496 -199.16916 532.33942
6915.0000 -204.08269 -198.31636 5.76634 2.18279 -198.08658 565.33073
6920.0000 -203.89912 -198.52287 5.37625 2.16085 -198.49733 513.79809
6925.0000 -203.26209 -196.91815 6.34394 2.20938 -197.58872 528.11841
6930.0000 -202.96927 -196.88309 6.08618 2.25482 -196.73812 591.46008
6935.0000 -201.97736 -196.91744 5.05992 2.25304 -196.77144 584.03248
6940.0000 -203.67369 -196.14167 7.53202 2.30300 -195.83609 629.64971
6945.0000 -203.50259 -198.20212 5.30047 2.20107 -197.74430 530.67178
6950.0000 -203.46329 -197.55381 5.90948 2.16558 -198.40865 524.68423
6955.0000 -203.33199 -196.58520 6.74680 2.24305 -196.95844 583.39733
6960.0000 -202.54350 -196.65754 5.88596 2.27260 -196.40530 609.20488
6965.0000 -204.14528 -198.97163 5.17365 2.18816 -197.98592 558.85572
6970.0000 -203.98172 -198.25789 5.72383 2.15274 -198.64912 531.43959
6975.0000 -202.60232 -196.52986 6.07246 2.23166 -197.17165 556.92724
6980.0000 -203.20940 -197.06520 6.14420 2.25550 -196.72533 562.35523
6985.0000 -204.05968 -196.38772 7.67197 2.29560 -195.97464 607.19527
6990.0000 -202.85416 -197.14460 5.70956 2.25624 -196.71157 589.62158
6995.0000 -203.40005 -197.38867 6.01137 2.23067 -197.19009 579.93081
7000.0000 -204.27259 -197.82719 6.44540 2.22185 -197.35526 594.98313
FREEZING PROCESS: loop number 29 T-loop= 539.00000000000000
main_MD> interactions number 29 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.70509 0.02691 2.75946
force_rgl> df(natom) -1.33728 2.13271 -1.86790
7005.0000 -204.74411 -199.17566 5.56845 2.15379 -198.62938 563.16251
7010.0000 -204.46083 -199.05503 5.40580 2.12915 -199.09072 544.53909
7015.0000 -205.22083 -199.63156 5.58926 2.11573 -199.34192 543.56790
7020.0000 -205.44272 -199.69162 5.75110 2.09833 -199.66772 518.16635
7025.0000 -204.54957 -199.04084 5.50872 2.12949 -199.08438 539.16946
7030.0000 -204.62289 -198.62261 6.00028 2.15245 -198.65444 545.04173
7035.0000 -205.12924 -198.56674 6.56250 2.12625 -199.14496 545.31864
7040.0000 -204.92107 -199.24828 5.67279 2.11993 -199.26334 542.52176
7045.0000 -205.29735 -200.78184 4.51551 2.06498 -200.29197 508.06157
7050.0000 -205.61497 -200.01722 5.59775 2.05614 -200.45747 498.94930
7055.0000 -204.65229 -199.38874 5.26355 2.08422 -199.93175 503.44932
7060.0000 -205.41173 -199.68185 5.72989 2.14022 -198.88350 553.31150
7065.0000 -205.43128 -200.10660 5.32468 2.10360 -199.56893 550.94343
7070.0000 -205.00059 -199.87423 5.12636 2.10656 -199.51362 533.50320
7075.0000 -204.27288 -198.55968 5.71320 2.11414 -199.37162 532.56139
7080.0000 -205.14127 -199.18150 5.95977 2.12835 -199.10575 551.10378
7085.0000 -204.89892 -198.77620 6.12272 2.12119 -199.23969 545.40842
7090.0000 -204.75922 -199.51192 5.24730 2.12647 -199.14090 560.01309
7095.0000 -205.01628 -199.41663 5.59965 2.09724 -199.68808 535.32076
7100.0000 -204.80409 -198.29291 6.51118 2.14118 -198.86548 545.69248
7105.0000 -203.67699 -198.60262 5.07437 2.15761 -198.55800 525.93014
7110.0000 -202.80889 -196.97899 5.82990 2.18671 -198.01323 534.28109
7115.0000 -202.92482 -196.50412 6.42070 2.25439 -196.74604 592.44193
7120.0000 -203.57109 -198.60210 4.96899 2.22390 -197.31693 571.69778
7125.0000 -203.54450 -198.15954 5.38496 2.16453 -198.42839 521.12151
7130.0000 -205.04968 -199.51366 5.53602 2.15602 -198.58772 527.48661
7135.0000 -204.32864 -198.80606 5.52258 2.13247 -199.02848 520.97212
7140.0000 -203.99771 -198.51425 5.48346 2.16362 -198.44539 535.22236
7145.0000 -203.66672 -198.25303 5.41369 2.17685 -198.19777 545.26569
7150.0000 -204.62667 -198.39449 6.23218 2.14974 -198.70528 530.39560
7155.0000 -204.76745 -199.42618 5.34127 2.14170 -198.85571 528.56522
7160.0000 -205.40594 -199.91572 5.49022 2.09448 -199.73967 499.25633
7165.0000 -205.14803 -199.78817 5.35986 2.09444 -199.74047 491.21008
7170.0000 -203.61135 -198.65714 4.95421 2.12663 -199.13792 500.25330
7175.0000 -204.16911 -198.98633 5.18278 2.14476 -198.79840 515.50194
7180.0000 -204.49852 -198.02980 6.46872 2.15553 -198.59693 535.81842
7185.0000 -204.29717 -198.08667 6.21049 2.22968 -197.20880 583.33369
7190.0000 -204.59937 -198.17071 6.42865 2.17451 -198.24159 555.73770
7195.0000 -204.47831 -198.03288 6.44542 2.20537 -197.66374 579.01645
7200.0000 -204.31020 -197.95865 6.35155 2.15382 -198.62881 535.98045
7205.0000 -205.29998 -200.28503 5.01495 2.15041 -198.69268 537.22198
7210.0000 -205.02156 -199.80902 5.21254 2.08110 -199.99023 490.89307
7215.0000 -204.61048 -199.01499 5.59549 2.09385 -199.75158 493.83379
7220.0000 -204.90328 -199.72190 5.18138 2.12150 -199.23385 515.69062
7225.0000 -204.33747 -199.14368 5.19379 2.11977 -199.26639 516.48936
7230.0000 -204.66668 -199.21960 5.44708 2.14613 -198.77287 538.02917
7235.0000 -205.05168 -199.89157 5.16011 2.14488 -198.79621 516.36460
7240.0000 -203.71658 -198.61042 5.10616 2.13059 -199.06381 495.28949
7245.0000 -203.47560 -197.82656 5.64904 2.17105 -198.30639 523.06692
7250.0000 -203.38497 -198.04034 5.34463 2.20594 -197.65313 541.49921
FREEZING PROCESS: loop number 30 T-loop= 514.00000000000000
main_MD> interactions number 30 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23129 2.90579 -1.59658
force_rgl> df(natom) -1.59236 1.09198 1.01369
7255.0000 -203.63504 -198.36851 5.26653 2.16534 -198.41316 496.47030
7260.0000 -203.54283 -198.10135 5.44148 2.15889 -198.53403 520.46734
7265.0000 -204.65025 -199.21410 5.43615 2.13481 -198.98477 504.42780
7270.0000 -203.93572 -197.58363 6.35209 2.17340 -198.26239 529.63584
7275.0000 -204.62951 -199.58501 5.04450 2.15930 -198.52622 531.23991
7280.0000 -204.83699 -199.20242 5.63457 2.13677 -198.94797 515.88737
7285.0000 -204.21078 -199.08755 5.12324 2.09799 -199.67403 506.40728
7290.0000 -205.76633 -199.86468 5.90165 2.10010 -199.63446 506.03271
7295.0000 -203.47594 -197.78933 5.68661 2.15426 -198.62059 533.66257
7300.0000 -204.75500 -198.75882 5.99618 2.16110 -198.49266 546.14036
7305.0000 -203.98811 -199.21867 4.76944 2.14184 -198.85314 524.75279
7310.0000 -204.47242 -199.59868 4.87374 2.08858 -199.85029 495.87736
7315.0000 -204.44807 -199.41621 5.03186 2.11726 -199.31324 512.26213
7320.0000 -204.55637 -198.95144 5.60494 2.11786 -199.30205 510.63718
7325.0000 -204.43636 -198.71095 5.72541 2.13227 -199.03234 509.81612
7330.0000 -204.30629 -198.35533 5.95095 2.17923 -198.15325 558.14523
7335.0000 -203.13184 -197.87156 5.26028 2.16102 -198.49399 536.71183
7340.0000 -204.19506 -197.58041 6.61465 2.20867 -197.60208 560.12446
7345.0000 -203.83833 -198.48352 5.35480 2.17096 -198.30794 538.89498
7350.0000 -203.80539 -198.86831 4.93707 2.13041 -199.06706 498.02508
7355.0000 -202.87320 -196.51970 6.35350 2.19104 -197.93213 538.67602
7360.0000 -204.03007 -198.85779 5.17229 2.18661 -198.01505 545.29418
7365.0000 -204.39820 -198.13319 6.26501 2.15604 -198.58732 528.75555
7370.0000 -204.95652 -200.27729 4.67923 2.11377 -199.37869 496.57767
7375.0000 -204.35699 -198.67155 5.68544 2.09713 -199.69020 477.85198
7380.0000 -204.93667 -199.33191 5.60476 2.13376 -199.00434 536.80544
7385.0000 -204.54102 -199.72536 4.81566 2.11555 -199.34534 508.33088
7390.0000 -204.91259 -199.55885 5.35374 2.11372 -199.37964 503.70002
7395.0000 -204.94973 -199.73783 5.21190 2.09614 -199.70863 501.18880
7400.0000 -204.61292 -199.42212 5.19080 2.09888 -199.65729 469.13677
7405.0000 -204.21168 -198.01932 6.19235 2.15236 -198.65629 514.98469
7410.0000 -203.56877 -198.48708 5.08169 2.15556 -198.59621 534.93172
7415.0000 -204.43853 -199.52272 4.91580 2.10972 -199.45447 505.90678
7420.0000 -203.54757 -197.93547 5.61210 2.12482 -199.17178 517.71166
7425.0000 -204.33170 -197.58813 6.74356 2.18853 -197.97904 568.81965
7430.0000 -204.89762 -199.33766 5.55996 2.16187 -198.47823 538.63887
7435.0000 -204.50766 -199.40036 5.10729 2.09278 -199.77166 513.89116
7440.0000 -204.67153 -199.32254 5.34899 2.09527 -199.72489 506.03905
7445.0000 -204.48905 -198.93389 5.55517 2.14880 -198.72291 536.00679
7450.0000 -205.28681 -199.62407 5.66274 2.11343 -199.38504 523.41239
7455.0000 -204.91517 -199.44605 5.46912 2.12198 -199.22492 544.20969
7460.0000 -205.19257 -200.55791 4.63466 2.07911 -200.02746 491.85452
7465.0000 -205.78960 -200.42290 5.36670 2.07292 -200.14329 499.72557
7470.0000 -204.64100 -199.62814 5.01286 2.07744 -200.05881 493.42663
7475.0000 -205.34519 -199.93988 5.40531 2.08039 -200.00352 492.37815
7480.0000 -205.46176 -199.49062 5.97115 2.10753 -199.49553 518.48085
7485.0000 -204.36911 -198.71202 5.65709 2.12695 -199.13187 516.40478
7490.0000 -204.30522 -199.33975 4.96546 2.12453 -199.17723 529.84133
7495.0000 -204.64045 -198.82878 5.81167 2.11418 -199.37099 517.62109
7500.0000 -203.75068 -198.42298 5.32770 2.13450 -198.99061 531.29520
FREEZING PROCESS: loop number 31 T-loop= 489.00000000000000
main_MD> interactions number 31 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.34228 1.04178 1.07029
force_rgl> df(natom) -3.20691 2.64883 1.15921
7505.0000 -204.23825 -199.23521 5.00304 2.14003 -198.88710 511.80953
7510.0000 -204.87821 -199.80703 5.07118 2.09032 -199.81767 478.54887
7515.0000 -204.81797 -199.77834 5.03963 2.07979 -200.01479 475.96768
7520.0000 -204.94291 -199.29502 5.64788 2.12818 -199.10877 527.21758
7525.0000 -205.58084 -200.33153 5.24931 2.08544 -199.90903 487.93156
7530.0000 -205.41842 -200.42143 4.99700 2.04383 -200.68790 469.66839
7535.0000 -204.91712 -199.95654 4.96058 2.07207 -200.15929 499.09052
7540.0000 -204.93146 -199.74858 5.18288 2.10571 -199.52959 495.90092
7545.0000 -205.05761 -200.14414 4.91347 2.08628 -199.89336 510.21688
7550.0000 -205.75751 -200.43685 5.32065 2.06716 -200.25123 493.62927
7555.0000 -205.57286 -199.36045 6.21241 2.09092 -199.80639 507.26127
7560.0000 -207.04758 -201.50132 5.54626 2.05338 -200.50914 518.80834
7565.0000 -206.60833 -201.25251 5.35582 2.01265 -201.27169 489.66494
7570.0000 -206.61355 -201.18507 5.42848 2.02164 -201.10345 487.77756
7575.0000 -206.03360 -200.52945 5.50415 2.01326 -201.26018 482.07719
7580.0000 -206.94679 -202.02743 4.91937 1.99377 -201.62504 466.16970
7585.0000 -206.25715 -201.47484 4.78231 1.98943 -201.70630 454.84652
7590.0000 -206.73989 -202.12274 4.61715 1.98448 -201.79897 456.53495
7595.0000 -206.07420 -200.98057 5.09363 2.00034 -201.50214 457.52961
7600.0000 -205.67700 -200.60162 5.07538 2.02037 -201.12722 471.83949
7605.0000 -205.97377 -200.56245 5.41133 2.05688 -200.44374 492.25086
7610.0000 -205.16904 -200.14590 5.02314 2.06065 -200.37298 489.58599
7615.0000 -204.78550 -200.31434 4.47116 2.08773 -199.86614 505.07951
7620.0000 -204.76048 -199.76311 4.99737 2.07917 -200.02640 504.48555
7625.0000 -205.47309 -199.58422 5.88887 2.09358 -199.75663 518.72393
7630.0000 -205.52209 -200.54848 4.97361 2.07956 -200.01901 508.77796
7635.0000 -205.37216 -200.09979 5.27237 2.04385 -200.68751 475.73739
7640.0000 -206.01348 -200.86961 5.14386 2.04379 -200.68875 477.14301
7645.0000 -206.18442 -201.10129 5.08313 2.02777 -200.98855 464.34468
7650.0000 -205.12032 -199.95380 5.16652 2.05327 -200.51121 507.97744
7655.0000 -206.60557 -201.38219 5.22338 2.05013 -200.57008 505.13541
7660.0000 -205.97232 -201.55232 4.42000 2.01328 -201.25982 475.61627
7665.0000 -206.23152 -200.72609 5.50543 2.01788 -201.17382 476.59524
7670.0000 -206.01736 -200.06801 5.94935 2.07206 -200.15942 520.64619
7675.0000 -205.91632 -201.43308 4.48324 2.03270 -200.89636 495.16750
7680.0000 -207.29837 -202.04754 5.25084 2.00187 -201.47354 474.20417
7685.0000 -206.38635 -201.57345 4.81290 2.00071 -201.49522 466.67369
7690.0000 -206.36456 -201.59019 4.77437 1.99728 -201.55944 459.49782
7695.0000 -205.83279 -201.29992 4.53287 1.99265 -201.64604 466.68549
7700.0000 -206.20716 -200.59345 5.61372 2.00956 -201.32949 471.13098
7705.0000 -205.24682 -199.13777 6.10905 2.08239 -199.96613 525.36725
7710.0000 -206.15490 -201.26935 4.88555 2.05555 -200.46848 511.48915
7715.0000 -206.19579 -202.24055 3.95524 1.96313 -202.19879 442.92077
7720.0000 -205.53158 -200.75950 4.77208 2.00070 -201.49544 464.01377
7725.0000 -206.14735 -201.06356 5.08380 2.05953 -200.39398 507.32720
7730.0000 -206.06340 -200.86223 5.20117 2.03964 -200.76641 482.98268
7735.0000 -204.93317 -199.94966 4.98351 2.05589 -200.46227 492.72517
7740.0000 -206.08604 -200.79832 5.28772 2.05871 -200.40944 503.00995
7745.0000 -204.82698 -199.38249 5.44450 2.06425 -200.30561 484.70541
7750.0000 -205.66568 -199.92046 5.74522 2.09408 -199.74717 517.10255
FREEZING PROCESS: loop number 32 T-loop= 464.00000000000000
main_MD> interactions number 32 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19982 2.46972 0.12627
force_rgl> df(natom) -1.38827 -1.58044 -1.20347
7755.0000 -205.81188 -201.24261 4.56927 2.03524 -200.84871 470.75025
7760.0000 -205.66056 -200.80945 4.85111 2.02104 -201.11465 472.58028
7765.0000 -206.17386 -201.01643 5.15744 2.04576 -200.65175 473.70732
7770.0000 -206.45070 -201.85728 4.59342 1.98820 -201.72945 449.36946
7775.0000 -207.04576 -203.27539 3.77037 1.95008 -202.44307 427.87764
7780.0000 -206.84324 -202.87690 3.96633 1.94718 -202.49726 428.32481
7785.0000 -207.01684 -202.22118 4.79566 1.94783 -202.48512 425.08792
7790.0000 -205.90921 -201.52038 4.38883 1.98764 -201.73994 461.30112
7795.0000 -205.54692 -200.39808 5.14884 2.01998 -201.13443 484.89386
7800.0000 -206.53679 -200.78368 5.75311 2.06153 -200.35651 507.47319
7805.0000 -207.00403 -202.63482 4.36921 1.98188 -201.84767 449.29039
7810.0000 -206.16272 -201.48058 4.68214 1.95823 -202.29051 427.82816
7815.0000 -205.72368 -200.75879 4.96490 2.01040 -201.31382 476.77202
7820.0000 -206.53954 -201.05786 5.48168 2.00756 -201.36701 473.23372
7825.0000 -206.32617 -201.54952 4.77665 2.00809 -201.35705 467.04573
7830.0000 -206.06151 -201.05097 5.01054 1.97832 -201.91434 448.67687
7835.0000 -206.50647 -201.57151 4.93496 2.01681 -201.19370 476.54305
7840.0000 -205.67119 -200.87103 4.80016 2.01603 -201.20832 481.25653
7845.0000 -206.33727 -201.69707 4.64020 1.98610 -201.76865 453.06006
7850.0000 -206.05478 -201.42038 4.63439 1.99372 -201.62601 456.62843
7855.0000 -206.15335 -201.86383 4.28952 2.01809 -201.16984 460.61375
7860.0000 -207.63522 -202.67752 4.95769 1.94453 -202.54697 412.04265
7865.0000 -206.74890 -202.50762 4.24128 1.94028 -202.62650 411.51052
7870.0000 -206.91896 -202.43691 4.48205 1.93225 -202.77673 408.83764
7875.0000 -206.52896 -201.68274 4.84622 1.97097 -202.05193 440.15107
7880.0000 -206.62959 -201.60702 5.02257 1.99688 -201.56687 459.97925
7885.0000 -206.32114 -201.71535 4.60579 1.99662 -201.57185 466.66775
7890.0000 -206.05940 -200.35354 5.70586 2.02968 -200.95280 491.01612
7895.0000 -206.15510 -200.21118 5.94392 2.05588 -200.46243 506.95473
7900.0000 -206.16667 -200.87800 5.28868 2.05620 -200.45636 489.05634
7905.0000 -204.75815 -200.34675 4.41140 2.05612 -200.45783 482.47918
7910.0000 -205.66699 -200.76170 4.90528 2.04812 -200.60756 479.64303
7915.0000 -206.30193 -200.86787 5.43406 2.02397 -201.05979 472.36316
7920.0000 -206.70817 -202.14144 4.56673 2.00529 -201.40947 463.34427
7925.0000 -205.99469 -201.58163 4.41306 2.00584 -201.39922 463.56548
7930.0000 -207.08953 -202.76939 4.32014 1.99143 -201.66902 459.24376
7935.0000 -207.45734 -202.84918 4.60816 1.94742 -202.49279 438.08030
7940.0000 -207.49542 -202.73118 4.76423 1.94996 -202.44528 437.46966
7945.0000 -207.26606 -202.60340 4.66266 1.95096 -202.42655 436.81970
7950.0000 -206.57267 -202.14104 4.43163 1.94791 -202.48366 440.70474
7955.0000 -206.38966 -201.92924 4.46042 1.97524 -201.97198 456.67434
7960.0000 -205.98343 -202.04638 3.93705 1.99204 -201.65756 469.54933
7965.0000 -206.44377 -201.49421 4.94956 1.96948 -202.07978 452.82092
7970.0000 -206.21339 -201.58500 4.62839 1.99745 -201.55624 472.88444
7975.0000 -206.73156 -202.20908 4.52247 1.98645 -201.76225 459.49178
7980.0000 -207.00540 -201.67816 5.32724 1.96650 -202.13569 451.49913
7985.0000 -205.88068 -201.60356 4.27712 1.98396 -201.80881 464.96712
7990.0000 -207.47457 -202.63863 4.83594 1.97051 -202.06064 448.88556
7995.0000 -206.35903 -201.73525 4.62379 1.94758 -202.48979 439.40975
8000.0000 -206.46148 -201.44342 5.01806 2.00987 -201.32376 481.63902
FREEZING PROCESS: loop number 33 T-loop= 439.00000000000000
main_MD> interactions number 33 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28037 -0.80964 -1.26642
force_rgl> df(natom) 0.03465 0.21999 0.58305
8005.0000 -206.88548 -202.62638 4.25911 1.95971 -202.26273 450.29742
8010.0000 -206.59528 -201.59518 5.00010 1.96364 -202.18925 448.18397
8015.0000 -207.01501 -202.18276 4.83226 1.97667 -201.94519 460.44043
8020.0000 -206.32502 -201.76469 4.56033 1.97116 -202.04837 453.80506
8025.0000 -206.65471 -201.81957 4.83514 1.99703 -201.56417 478.10643
8030.0000 -206.97343 -202.69344 4.27999 1.95693 -202.31471 442.79459
8035.0000 -206.77010 -202.26997 4.50013 1.92211 -202.96669 412.58319
8040.0000 -207.14570 -201.95950 5.18621 1.97988 -201.88513 460.61233
8045.0000 -206.45324 -201.96784 4.48540 1.99419 -201.61729 471.05611
8050.0000 -206.36154 -201.08138 5.28017 1.98846 -201.72447 469.33418
8055.0000 -206.88609 -202.25137 4.63472 1.97058 -202.05928 453.18102
8060.0000 -206.76038 -202.43657 4.32380 1.95673 -202.31858 428.46658
8065.0000 -206.97030 -202.28631 4.68399 1.97320 -202.01022 448.07860
8070.0000 -205.98981 -201.42830 4.56151 1.98670 -201.75740 465.15469
8075.0000 -206.78074 -202.01275 4.76799 2.02448 -201.05022 491.63966
8080.0000 -206.81683 -201.77238 5.04445 1.97387 -201.99762 455.11501
8085.0000 -206.91096 -202.34718 4.56377 1.97640 -201.95028 460.18324
8090.0000 -206.80825 -201.50981 5.29844 1.96430 -202.17691 447.57980
8095.0000 -206.55156 -202.02312 4.52844 1.98959 -201.70332 463.42573
8100.0000 -206.80837 -201.71274 5.09563 1.97312 -202.01175 449.45166
8105.0000 -206.45130 -202.05125 4.40005 1.97865 -201.90818 457.46623
8110.0000 -206.80060 -202.52004 4.28057 1.95461 -202.35817 439.81487
8115.0000 -206.68617 -201.88511 4.80106 1.97117 -202.04817 444.21834
8120.0000 -206.16781 -201.59931 4.56850 1.95277 -202.39270 435.74064
8125.0000 -206.34701 -202.32564 4.02137 1.96319 -202.19763 441.32925
8130.0000 -207.60876 -202.93450 4.67426 1.95809 -202.29300 444.06473
8135.0000 -207.40295 -203.14715 4.25581 1.94734 -202.49425 446.30710
8140.0000 -207.77766 -203.43051 4.34715 1.90113 -203.35947 406.92985
8145.0000 -207.79958 -203.54405 4.25553 1.89779 -203.42185 411.33703
8150.0000 -207.38356 -202.47490 4.90867 1.94415 -202.55411 442.03571
8155.0000 -205.77369 -201.57430 4.19939 1.96792 -202.10905 443.82040
8160.0000 -206.89279 -201.84799 5.04480 1.97928 -201.89637 464.00262
8165.0000 -206.84122 -202.76635 4.07487 1.95501 -202.35079 450.51259
8170.0000 -207.18032 -202.28780 4.89252 1.96141 -202.23100 456.95786
8175.0000 -207.46476 -202.55072 4.91404 1.95006 -202.44336 450.21042
8180.0000 -207.65349 -203.24590 4.40759 1.94297 -202.57611 443.61007
8185.0000 -207.18348 -202.75749 4.42599 1.93495 -202.72625 435.70014
8190.0000 -207.80162 -203.75402 4.04760 1.92054 -202.99605 411.52381
8195.0000 -207.30479 -203.32008 3.98471 1.89146 -203.54038 387.99133
8200.0000 -206.64112 -201.66446 4.97665 1.94998 -202.44486 426.24518
8205.0000 -207.78166 -204.05696 3.72469 1.93134 -202.79378 419.98928
8210.0000 -207.68381 -203.44176 4.24205 1.88222 -203.71343 384.57773
8215.0000 -206.51236 -202.54967 3.96269 1.92115 -202.98467 417.18497
8220.0000 -207.49023 -203.44048 4.04975 1.89931 -203.39352 396.59955
8225.0000 -207.13531 -202.53876 4.59656 1.93358 -202.75198 423.46481
8230.0000 -207.04120 -202.45127 4.58993 1.92489 -202.91469 417.69603
8235.0000 -206.56389 -201.93484 4.62906 1.94425 -202.55225 432.48299
8240.0000 -206.25958 -201.02790 5.23168 2.02099 -201.11555 481.13808
8245.0000 -206.36309 -201.46562 4.89747 2.02768 -200.99022 484.07817
8250.0000 -207.01481 -201.14915 5.86567 2.00334 -201.44603 468.21957
FREEZING PROCESS: loop number 34 T-loop= 414.00000000000000
main_MD> interactions number 34 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34785 0.16340 1.45494
force_rgl> df(natom) -0.39387 -1.17688 0.76083
8255.0000 -207.18821 -202.41381 4.77440 1.98241 -201.83782 456.08262
8260.0000 -207.69391 -203.01597 4.67795 1.94555 -202.52780 424.61053
8265.0000 -207.23450 -203.30395 3.93056 1.90936 -203.20525 389.37029
8270.0000 -207.67809 -203.53842 4.13967 1.88589 -203.64463 374.85324
8275.0000 -208.18090 -204.43418 3.74673 1.86342 -204.06536 364.06816
8280.0000 -207.70844 -203.20672 4.50172 1.87388 -203.86949 369.10768
8285.0000 -207.61282 -203.21953 4.39329 1.91565 -203.08764 407.58932
8290.0000 -207.38224 -203.19609 4.18615 1.90764 -203.23753 397.13084
8295.0000 -207.81737 -203.86335 3.95402 1.89234 -203.52391 391.79545
8300.0000 -207.62154 -203.21038 4.41116 1.87757 -203.80052 379.89773
8305.0000 -207.21942 -202.88106 4.33836 1.89608 -203.45393 392.16145
8310.0000 -207.29320 -203.03066 4.26254 1.91676 -203.06677 412.88685
8315.0000 -207.86693 -204.17664 3.69029 1.89237 -203.52343 391.05514
8320.0000 -207.87012 -203.59965 4.27047 1.88685 -203.62674 385.66273
8325.0000 -207.47932 -203.56135 3.91798 1.89586 -203.45810 399.91425
8330.0000 -206.90443 -202.28692 4.61750 1.90656 -203.25770 409.97906
8335.0000 -207.82818 -203.23076 4.59742 1.92577 -202.89813 421.99266
8340.0000 -207.40547 -203.12260 4.28288 1.91734 -203.05603 411.63858
8345.0000 -207.42272 -202.57940 4.84332 1.90976 -203.19785 397.01820
8350.0000 -207.28152 -203.07352 4.20801 1.93840 -202.66160 426.05928
8355.0000 -207.47142 -203.99660 3.47482 1.87121 -203.91954 374.57185
8360.0000 -207.67330 -203.02232 4.65098 1.88500 -203.66146 389.65077
8365.0000 -207.25733 -202.72163 4.53570 1.93501 -202.72517 421.83121
8370.0000 -207.92449 -204.12592 3.79857 1.89905 -203.39832 396.07666
8375.0000 -207.44384 -203.22690 4.21694 1.88820 -203.60151 387.06336
8380.0000 -207.17415 -202.27944 4.89470 1.94416 -202.55386 429.00277
8385.0000 -206.94501 -202.34548 4.59953 1.94964 -202.45119 433.92370
8390.0000 -207.48841 -203.90434 3.58407 1.90420 -203.30200 394.50968
8395.0000 -207.97519 -203.79621 4.17897 1.88290 -203.70071 387.86846
8400.0000 -206.92805 -203.20729 3.72076 1.89010 -203.56591 391.26843
8405.0000 -206.63684 -202.07482 4.56201 1.92961 -202.82628 419.57924
8410.0000 -208.06180 -203.34924 4.71256 1.91989 -203.00828 414.95510
8415.0000 -208.19189 -204.02353 4.16835 1.90474 -203.29189 400.35335
8420.0000 -207.26410 -203.23453 4.02957 1.87321 -203.88219 375.64306
8425.0000 -207.24861 -202.66750 4.58111 1.93085 -202.80297 416.68125
8430.0000 -207.19783 -203.12799 4.06984 1.92947 -202.82886 414.21847
8435.0000 -207.47195 -203.08210 4.38985 1.92012 -203.00383 402.99634
8440.0000 -207.49175 -203.83059 3.66115 1.90467 -203.29313 388.54638
8445.0000 -207.27894 -203.11243 4.16651 1.91787 -203.04611 404.02148
8450.0000 -207.73525 -203.41535 4.31990 1.88801 -203.60499 386.57193
8455.0000 -207.15135 -202.57696 4.57439 1.91912 -203.02257 400.13179
8460.0000 -207.39178 -202.86547 4.52631 1.92145 -202.97899 410.80707
8465.0000 -206.99887 -202.64593 4.35295 1.92037 -202.99930 416.96367
8470.0000 -207.28895 -203.18285 4.10610 1.91271 -203.14262 413.19690
8475.0000 -207.10620 -201.54003 5.56618 1.95459 -202.35866 440.65886
8480.0000 -207.05097 -202.96347 4.08750 1.96935 -202.08229 452.00439
8485.0000 -207.62698 -203.02803 4.59895 1.93468 -202.73140 424.14654
8490.0000 -207.84529 -203.77758 4.06770 1.88784 -203.60823 389.89216
8495.0000 -207.76968 -204.07368 3.69600 1.88282 -203.70222 386.76159
8500.0000 -207.55241 -203.78337 3.76904 1.87478 -203.85266 378.05441
FREEZING PROCESS: loop number 35 T-loop= 389.00000000000000
main_MD> interactions number 35 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32938 0.25406 -1.03188
force_rgl> df(natom) 0.75046 -2.27995 -0.10469
8505.0000 -207.77896 -203.60367 4.17529 1.88923 -203.58211 383.14437
8510.0000 -207.41941 -203.62504 3.79437 1.90251 -203.33358 395.15873
8515.0000 -207.57421 -203.37308 4.20113 1.89260 -203.51904 383.21964
8520.0000 -208.35460 -204.57939 3.77521 1.88636 -203.63588 379.64488
8525.0000 -208.20775 -204.16769 4.04006 1.85872 -204.15328 361.43150
8530.0000 -208.05148 -204.56362 3.48786 1.84899 -204.33557 357.45650
8535.0000 -207.92872 -203.53838 4.39034 1.87706 -203.80996 379.65646
8540.0000 -208.20373 -204.40228 3.80145 1.88617 -203.63939 388.27275
8545.0000 -208.00074 -204.87232 3.12842 1.82470 -204.79021 341.42080
8550.0000 -207.91726 -203.24758 4.66969 1.87293 -203.88736 382.80958
8555.0000 -207.95586 -203.69283 4.26303 1.89655 -203.44508 403.40849
8560.0000 -207.64759 -203.49570 4.15189 1.89634 -203.44906 391.33067
8565.0000 -207.91645 -203.74107 4.17538 1.89971 -203.38591 391.22741
8570.0000 -207.81882 -203.43345 4.38536 1.86706 -203.99719 376.52798
8575.0000 -208.15527 -204.50821 3.64706 1.88738 -203.61688 387.88331
8580.0000 -207.58977 -203.30268 4.28709 1.88140 -203.72875 385.42532
8585.0000 -208.19388 -203.90849 4.28539 1.87197 -203.90539 376.76109
8590.0000 -207.92273 -204.21417 3.70856 1.86016 -204.12638 370.21255
8595.0000 -207.71240 -204.08493 3.62747 1.85738 -204.17853 371.66919
8600.0000 -208.70822 -204.96052 3.74770 1.83552 -204.58763 350.93603
8605.0000 -207.90306 -204.34568 3.55738 1.81639 -204.94572 334.19515
8610.0000 -207.71001 -203.65223 4.05777 1.85738 -204.17841 363.28037
8615.0000 -208.07678 -204.44787 3.62891 1.87375 -203.87207 378.95846
8620.0000 -207.58192 -203.64125 3.94066 1.86230 -204.08636 370.36295
8625.0000 -207.65420 -203.36991 4.28428 1.88711 -203.62183 391.66986
8630.0000 -207.39500 -203.48756 3.90744 1.89557 -203.46357 395.58612
8635.0000 -207.51695 -203.20247 4.31448 1.90624 -203.26372 407.88466
8640.0000 -207.90112 -203.61352 4.28759 1.87077 -203.92786 377.16198
8645.0000 -207.15811 -203.60908 3.54902 1.88157 -203.72559 388.06402
8650.0000 -208.19335 -204.41218 3.78116 1.85806 -204.16569 361.10175
8655.0000 -207.31676 -203.13145 4.18530 1.88907 -203.58511 390.42413
8660.0000 -207.46006 -202.78616 4.67390 1.92497 -202.91311 417.92784
8665.0000 -207.61304 -203.63532 3.97772 1.92400 -202.93124 420.19036
8670.0000 -208.18718 -203.64466 4.54251 1.88038 -203.74789 388.51618
8675.0000 -207.85259 -204.29352 3.55908 1.86286 -204.07579 367.29645
8680.0000 -207.96456 -204.26193 3.70264 1.85547 -204.21423 363.62110
8685.0000 -208.06569 -203.61004 4.45565 1.85721 -204.18161 367.47053
8690.0000 -207.21083 -203.06374 4.14710 1.90496 -203.28773 404.35321
8695.0000 -207.84936 -203.92331 3.92605 1.90460 -203.29451 398.78585
8700.0000 -207.79078 -203.52422 4.26656 1.89923 -203.39495 402.17858
8705.0000 -206.83129 -202.17011 4.66118 1.93706 -202.68676 427.17378
8710.0000 -208.24110 -203.15651 5.08459 1.92298 -202.95030 420.50049
8715.0000 -207.46154 -203.40524 4.05629 1.92021 -203.00214 418.14105
8720.0000 -208.15032 -203.34314 4.80717 1.89323 -203.50736 390.84065
8725.0000 -207.75303 -203.26044 4.49259 1.92187 -202.97116 410.17410
8730.0000 -207.11244 -203.67425 3.43819 1.87845 -203.78404 372.40406
8735.0000 -207.09386 -202.80522 4.28863 1.87910 -203.77189 370.92753
8740.0000 -207.03997 -202.78769 4.25228 1.92427 -202.92619 410.53367
8745.0000 -207.20562 -202.54710 4.65853 1.94116 -202.61010 429.04195
8750.0000 -207.04642 -203.05720 3.98922 1.93864 -202.65728 427.30577
FREEZING PROCESS: loop number 36 T-loop= 364.00000000000000
main_MD> interactions number 36 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.89132 -0.57527 -0.27060
force_rgl> df(natom) 0.47083 -2.23642 -0.84871
8755.0000 -208.24296 -203.87014 4.37282 1.91409 -203.11686 411.61689
8760.0000 -207.80281 -204.14610 3.65671 1.86198 -204.09239 366.80637
8765.0000 -208.42725 -204.20622 4.22103 1.86970 -203.94779 379.46518
8770.0000 -207.66796 -204.15087 3.51709 1.85515 -204.22019 365.30424
8775.0000 -208.90786 -204.66525 4.24261 1.82150 -204.85015 336.93540
8780.0000 -208.07078 -204.77050 3.30029 1.80345 -205.18814 320.41183
8785.0000 -208.15935 -204.04650 4.11285 1.85436 -204.23493 364.75262
8790.0000 -208.24606 -204.40067 3.84539 1.84784 -204.35700 360.86497
8795.0000 -208.40666 -204.40365 4.00302 1.83050 -204.68162 344.83010
8800.0000 -208.41279 -204.54470 3.86809 1.84666 -204.37915 360.33134
8805.0000 -207.51805 -204.29336 3.22470 1.82996 -204.69172 341.48180
8810.0000 -207.99906 -204.47817 3.52088 1.83162 -204.66070 345.33979
8815.0000 -208.40030 -204.42837 3.97192 1.84330 -204.44203 356.46370
8820.0000 -207.93620 -204.03253 3.90367 1.84390 -204.43082 354.37360
8825.0000 -207.71058 -203.57530 4.13528 1.87942 -203.76578 380.41162
8830.0000 -208.29730 -204.51577 3.78153 1.86907 -203.95969 374.16583
8835.0000 -208.15621 -204.53388 3.62233 1.83451 -204.60653 346.36250
8840.0000 -207.93249 -204.27042 3.66206 1.86503 -204.03526 371.56360
8845.0000 -208.64486 -204.26500 4.37986 1.85854 -204.15667 369.89348
8850.0000 -207.76358 -204.21826 3.54533 1.83683 -204.56307 346.59941
8855.0000 -208.35868 -204.96754 3.39114 1.83306 -204.63374 344.06652
8860.0000 -208.61538 -205.69140 2.92398 1.77784 -205.66752 298.71590
8865.0000 -208.62373 -204.45133 4.17239 1.83586 -204.58136 348.89277
8870.0000 -208.23483 -204.96097 3.27386 1.81902 -204.89658 336.23374
8875.0000 -208.30097 -204.39455 3.90642 1.81414 -204.98786 334.50139
8880.0000 -208.40250 -204.37133 4.03116 1.85174 -204.28403 362.79550
8885.0000 -208.58838 -204.65092 3.93746 1.83598 -204.57899 348.27537
8890.0000 -208.00240 -204.36322 3.63918 1.85124 -204.29339 360.56193
8895.0000 -207.92786 -204.12359 3.80427 1.86473 -204.04076 367.87479
8900.0000 -208.50096 -204.65033 3.85063 1.85231 -204.27343 360.69578
8905.0000 -207.57578 -203.35586 4.21992 1.86225 -204.08727 370.31579
8910.0000 -208.21549 -204.18326 4.03223 1.87360 -203.87477 379.55305
8915.0000 -207.56911 -203.61212 3.95699 1.87828 -203.78718 382.62441
8920.0000 -208.04702 -204.06797 3.97905 1.88194 -203.71868 384.58260
8925.0000 -207.53388 -203.71777 3.81611 1.89636 -203.44871 391.73143
8930.0000 -207.79862 -204.08649 3.71213 1.85836 -204.16003 355.88221
8935.0000 -208.40493 -204.90275 3.50218 1.83489 -204.59941 344.71789
8940.0000 -208.80790 -204.77066 4.03724 1.83195 -204.65450 345.78811
8945.0000 -207.74503 -203.90040 3.84463 1.85404 -204.24102 362.00046
8950.0000 -207.89477 -203.97998 3.91479 1.85181 -204.28268 362.49945
8955.0000 -207.94292 -204.16296 3.77997 1.87865 -203.78022 382.21335
8960.0000 -207.51186 -204.22208 3.28978 1.84747 -204.36404 361.68604
8965.0000 -207.74454 -204.34770 3.39684 1.82805 -204.72753 341.68160
8970.0000 -207.87036 -204.35416 3.51620 1.84948 -204.32627 356.42782
8975.0000 -208.25437 -204.38337 3.87100 1.84062 -204.49213 351.53578
8980.0000 -207.57586 -204.22361 3.35224 1.84646 -204.38285 354.99728
8985.0000 -208.25595 -204.88442 3.37152 1.84127 -204.47996 350.77761
8990.0000 -208.26776 -204.27812 3.98964 1.83120 -204.66858 342.81648
8995.0000 -208.22811 -204.32130 3.90682 1.83855 -204.53101 349.35877
9000.0000 -207.75285 -203.94334 3.80951 1.89265 -203.51811 383.32468
FREEZING PROCESS: loop number 37 T-loop= 339.00000000000000
main_MD> interactions number 37 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61824 0.94442 0.34215
force_rgl> df(natom) -1.18424 2.48390 -1.88415
9005.0000 -208.02484 -204.20940 3.81544 1.85923 -204.14390 366.08543
9010.0000 -208.06440 -204.63799 3.42641 1.85100 -204.29789 359.20216
9015.0000 -208.00519 -204.62931 3.37587 1.84286 -204.45028 352.22453
9020.0000 -208.86835 -205.97587 2.89248 1.78490 -205.53525 305.98681
9025.0000 -208.62825 -205.42084 3.20741 1.78180 -205.59331 304.19377
9030.0000 -208.21187 -204.85895 3.35292 1.80029 -205.24718 320.02413
9035.0000 -208.22348 -205.42726 2.79622 1.80887 -205.08668 326.25834
9040.0000 -208.62114 -205.52866 3.09248 1.80125 -205.22924 320.25765
9045.0000 -208.26494 -204.58413 3.68082 1.80270 -205.20212 320.17255
9050.0000 -208.66159 -205.22665 3.43494 1.83119 -204.66867 350.37385
9055.0000 -208.60194 -204.59336 4.00859 1.82529 -204.77919 340.87780
9060.0000 -208.59871 -204.77488 3.82383 1.82117 -204.85635 336.57815
9065.0000 -207.54790 -204.08696 3.46094 1.86382 -204.05785 370.17449
9070.0000 -208.16920 -204.79567 3.37352 1.82493 -204.78585 339.60443
9075.0000 -208.97921 -205.21577 3.76344 1.81564 -204.95977 334.07063
9080.0000 -208.54736 -204.96327 3.58409 1.81776 -204.92016 335.85127
9085.0000 -208.52935 -205.34292 3.18643 1.80412 -205.17548 320.80439
9090.0000 -208.26142 -205.13720 3.12422 1.80817 -205.09965 325.98599
9095.0000 -208.33092 -205.04280 3.28812 1.80356 -205.18596 320.57465
9100.0000 -208.72077 -204.94287 3.77790 1.82568 -204.77198 335.39145
9105.0000 -208.24423 -204.50789 3.73634 1.80629 -205.13494 325.01695
9110.0000 -208.30100 -204.38559 3.91540 1.84373 -204.43392 354.20930
9115.0000 -208.29193 -204.94717 3.34476 1.83606 -204.57749 346.42028
9120.0000 -207.99294 -204.34357 3.64937 1.84322 -204.44345 354.45831
9125.0000 -207.84863 -205.12663 2.72200 1.82513 -204.78225 339.93471
9130.0000 -208.65390 -205.27187 3.38203 1.82021 -204.87429 337.78175
9135.0000 -208.07818 -204.78144 3.29674 1.81850 -204.90635 334.27035
9140.0000 -208.32202 -205.35434 2.96768 1.80863 -205.09107 326.52594
9145.0000 -208.37537 -205.11245 3.26292 1.81051 -205.05591 326.77638
9150.0000 -208.54848 -204.84333 3.70515 1.83271 -204.64025 344.79658
9155.0000 -208.77459 -204.95167 3.82292 1.81812 -204.91341 335.67634
9160.0000 -208.58132 -205.15764 3.42368 1.82098 -204.85992 339.77375
9165.0000 -208.75254 -204.98318 3.76936 1.80008 -205.25122 317.93787
9170.0000 -208.11300 -204.71583 3.39717 1.83467 -204.60360 345.10746
9175.0000 -208.25024 -204.50330 3.74695 1.83931 -204.51669 350.26291
9180.0000 -207.98811 -204.31412 3.67399 1.85537 -204.21613 360.89348
9185.0000 -207.97937 -204.74524 3.23412 1.82726 -204.74237 338.07871
9190.0000 -208.35696 -204.95076 3.40620 1.81284 -205.01225 328.14664
9195.0000 -207.72287 -204.45270 3.27017 1.82750 -204.73782 347.37386
9200.0000 -207.99906 -204.32341 3.67564 1.84011 -204.50177 352.92214
9205.0000 -208.36180 -204.41551 3.94629 1.85538 -204.21587 362.53021
9210.0000 -208.39100 -204.65708 3.73392 1.84992 -204.31813 358.27258
9215.0000 -208.17623 -205.25665 2.91958 1.82377 -204.80771 337.64103
9220.0000 -207.86167 -204.44993 3.41175 1.82992 -204.69253 343.49944
9225.0000 -208.66173 -205.00628 3.65545 1.81474 -204.97672 331.77212
9230.0000 -208.18655 -204.15149 4.03507 1.83563 -204.58555 349.50882
9235.0000 -208.04010 -204.52500 3.51510 1.84443 -204.42093 355.73364
9240.0000 -207.81135 -204.01519 3.79616 1.84839 -204.34672 358.10194
9245.0000 -207.58777 -204.34242 3.24534 1.83593 -204.58009 350.32784
9250.0000 -207.96639 -204.39070 3.57568 1.82764 -204.73525 340.43023
FREEZING PROCESS: loop number 38 T-loop= 314.00000000000000
main_MD> interactions number 38 at Temperature= 314.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.27654 0.16498 -0.78719
force_rgl> df(natom) -0.08900 0.58477 -2.06657
9255.0000 -209.00469 -205.25919 3.74549 1.83047 -204.68227 343.06380
9260.0000 -208.78099 -204.77910 4.00190 1.82371 -204.80875 338.33551
9265.0000 -209.00246 -205.28026 3.72220 1.81988 -204.88054 338.11758
9270.0000 -208.66198 -205.19413 3.46785 1.79620 -205.32386 315.45917
9275.0000 -208.59019 -205.46559 3.12460 1.80234 -205.20887 317.37677
9280.0000 -208.36768 -205.06729 3.30038 1.79148 -205.41220 309.16637
9285.0000 -208.77406 -205.37858 3.39548 1.80484 -205.16201 319.92587
9290.0000 -209.24182 -206.32144 2.92038 1.78118 -205.60500 303.78188
9295.0000 -208.64523 -205.32433 3.32090 1.77966 -205.63335 302.67714
9300.0000 -208.57522 -205.53934 3.03588 1.80955 -205.07379 326.60570
9305.0000 -208.64959 -205.70824 2.94135 1.78508 -205.53188 308.38141
9310.0000 -208.80975 -205.10666 3.70309 1.78588 -205.51699 306.89383
9315.0000 -208.97324 -206.18214 2.79110 1.77650 -205.69251 296.97899
9320.0000 -208.86022 -205.51149 3.34873 1.76684 -205.87347 289.08863
9325.0000 -208.94599 -205.72489 3.22109 1.79038 -205.43265 312.08264
9330.0000 -208.62763 -204.75426 3.87337 1.80708 -205.12010 326.01700
9335.0000 -208.74632 -205.53934 3.20698 1.81276 -205.01367 329.32215
9340.0000 -208.35100 -205.12192 3.22908 1.78625 -205.51009 307.13361
9345.0000 -208.76327 -205.62479 3.13848 1.79637 -205.32065 316.60890
9350.0000 -208.54712 -205.89445 2.65268 1.77350 -205.74867 295.98054
9355.0000 -208.46723 -204.81656 3.65067 1.78508 -205.53205 306.52336
9360.0000 -208.53534 -205.36386 3.17148 1.81823 -204.91138 335.76927
9365.0000 -208.78855 -205.64672 3.14184 1.78346 -205.56234 303.79477
9370.0000 -209.06125 -205.73126 3.32999 1.78004 -205.62630 301.28408
9375.0000 -208.08643 -204.92613 3.16030 1.80119 -205.23034 317.85131
9380.0000 -208.76919 -205.03085 3.73834 1.81846 -204.90699 335.55154
9385.0000 -209.03760 -205.70268 3.33492 1.80020 -205.24887 322.41162
9390.0000 -208.54329 -205.46538 3.07790 1.78859 -205.46631 306.93259
9395.0000 -208.16330 -205.28304 2.88025 1.79676 -205.31335 315.35583
9400.0000 -209.20437 -206.20667 2.99770 1.78728 -205.49069 306.66956
9405.0000 -208.59663 -205.82041 2.77622 1.76982 -205.81764 292.59701
9410.0000 -208.95017 -205.41301 3.53716 1.78904 -205.45782 308.12238
9415.0000 -209.41176 -206.12096 3.29080 1.76568 -205.89505 292.19737
9420.0000 -208.16894 -205.06760 3.10134 1.78143 -205.60026 301.66458
9425.0000 -208.61568 -204.70609 3.90959 1.81077 -205.05096 327.18118
9430.0000 -208.56354 -205.01459 3.54894 1.83580 -204.58251 347.02753
9435.0000 -208.45013 -204.87514 3.57499 1.80524 -205.15458 321.77374
9440.0000 -208.35969 -205.08033 3.27936 1.81955 -204.88669 331.53958
9445.0000 -208.47314 -204.99742 3.47572 1.82724 -204.74262 338.32416
9450.0000 -208.80021 -205.63457 3.16563 1.79596 -205.32828 313.01747
9455.0000 -208.15985 -205.01112 3.14873 1.79631 -205.32170 314.81948
9460.0000 -209.02496 -205.43898 3.58598 1.78350 -205.56158 304.62527
9465.0000 -208.70127 -205.62404 3.07723 1.77925 -205.64101 301.24598
9470.0000 -208.81261 -205.69639 3.11622 1.78753 -205.48612 308.41366
9475.0000 -208.91023 -205.52652 3.38371 1.78320 -205.56713 305.59219
9480.0000 -207.99454 -204.77945 3.21510 1.81142 -205.03883 329.53255
9485.0000 -208.47996 -205.19000 3.28996 1.79275 -205.38838 311.76835
9490.0000 -208.26306 -205.56261 2.70045 1.80632 -205.13429 324.29793
9495.0000 -208.71742 -205.24410 3.47332 1.79352 -205.37394 312.09947
9500.0000 -209.01861 -205.33647 3.68214 1.80701 -205.12149 326.17652
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 36.6711422 [s].
main_MD> Deallocating global variables
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