tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_4091/freezeSims/run_73/freeze.log

2199 lines
217 KiB
Plaintext
Raw Blame History

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_73.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 = 73 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1950
main_MD> Size of nv and nvoiz: 73 7300
main_MD> Size of nv and nvoiz: 73 7300
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 = 73
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 0.15443039860411872 2.4958673152470929E-002 -8.1627458288232452E-002 initial drift of cluster / NP1 for coalescence
init> 0.31531231435317686 0.34727983628456804 0.27586894736545664 scaling for velocity /for coalescence NP1
init.f90 > facguy = 3.8606628429470051E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71908 -1.35933 -0.85636
force_rgl> df(natom) -2.53043 -1.50360 1.51443
preparo> THERMALIZATION PROCESS AT 1292.2124054796402
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -156.23149246506742 12.160674351797070 -168.39216681686449 7.2085706601389703E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for freezing
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 39
FREEZING PROCESS: loop number 1 T-loop= 1268.0000000000000
main_MD> interactions number 1 at Temperature= 1268.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09934 4.91821 1.78939
force_rgl> df(natom) -1.84463 2.90392 2.48329
5.0000 -168.50109 -156.47794 12.02314 3.38498 -156.22495 1376.14723
10.0000 -170.19816 -159.23814 10.96001 3.29417 -157.81109 1297.42974
15.0000 -170.54308 -156.93024 13.61284 3.24995 -158.58348 1263.84940
20.0000 -170.70521 -155.55140 15.15381 3.37248 -156.44333 1335.82279
25.0000 -169.83417 -158.51862 11.31555 3.38030 -156.30678 1341.00641
30.0000 -171.25556 -158.31883 12.93673 3.28647 -157.94561 1296.73097
35.0000 -169.31937 -157.46534 11.85403 3.30759 -157.57678 1305.00716
40.0000 -172.96926 -160.28166 12.68760 3.24384 -158.69028 1245.06739
45.0000 -173.22574 -160.91528 12.31046 3.17131 -159.95718 1238.25534
50.0000 -173.31509 -160.65868 12.65641 3.15263 -160.28343 1211.45103
55.0000 -170.11222 -158.43066 11.68156 3.21343 -159.22142 1240.64865
60.0000 -171.04916 -159.63199 11.41716 3.22941 -158.94234 1272.25146
65.0000 -170.72231 -161.18191 9.54040 3.15914 -160.16969 1204.04884
70.0000 -170.04444 -158.59897 11.44547 3.21461 -159.20086 1236.34292
75.0000 -172.12653 -159.26783 12.85870 3.21632 -159.17092 1254.12768
80.0000 -170.72016 -156.59552 14.12464 3.28311 -158.00432 1286.37488
85.0000 -167.78165 -155.66609 12.11556 3.37000 -156.48666 1362.47577
90.0000 -167.59169 -156.59852 10.99317 3.35811 -156.69435 1369.52971
95.0000 -170.81842 -160.11229 10.70613 3.32624 -157.25095 1280.62874
100.0000 -173.49664 -159.63111 13.86553 3.11405 -160.95732 1186.35693
105.0000 -171.35745 -160.01016 11.34729 3.13243 -160.63630 1181.80977
110.0000 -170.53883 -158.30677 12.23206 3.21406 -159.21034 1240.27021
115.0000 -169.84728 -156.66004 13.18724 3.35896 -156.67946 1343.65676
120.0000 -168.37141 -156.00461 12.36679 3.35238 -156.79448 1367.54096
125.0000 -167.92593 -155.22874 12.69720 3.44088 -155.24863 1383.29909
130.0000 -169.25582 -156.99433 12.26149 3.39586 -156.03499 1338.08042
135.0000 -171.64355 -159.40100 12.24255 3.29888 -157.72882 1316.53906
140.0000 -172.16387 -160.26253 11.90134 3.18871 -159.65319 1248.91956
145.0000 -170.00641 -159.25466 10.75175 3.16257 -160.10978 1172.98470
150.0000 -171.21002 -160.22018 10.98984 3.20276 -159.40771 1258.76688
155.0000 -168.80618 -157.72363 11.08255 3.27725 -158.10660 1314.91951
160.0000 -170.77180 -156.90377 13.86803 3.28564 -157.96021 1318.05778
165.0000 -169.57625 -158.16164 11.41461 3.28661 -157.94317 1304.35453
170.0000 -171.39178 -160.31174 11.08003 3.26671 -158.29084 1241.55590
175.0000 -170.62743 -159.50844 11.11899 3.19049 -159.62209 1185.81457
180.0000 -172.82316 -161.06059 11.76257 3.15552 -160.23293 1181.34736
185.0000 -172.16217 -160.02585 12.13633 3.15463 -160.24838 1205.87752
190.0000 -171.55750 -161.54201 10.01549 3.05985 -161.90392 1159.02560
195.0000 -171.75363 -159.48999 12.26364 3.17125 -159.95820 1227.65071
200.0000 -173.86029 -163.39156 10.46873 3.05319 -162.02036 1139.86542
205.0000 -172.06244 -160.58635 11.47608 3.01943 -162.61001 1131.38596
210.0000 -173.69857 -162.64243 11.05614 3.06922 -161.74037 1137.41469
215.0000 -171.76033 -160.79679 10.96354 3.09872 -161.22505 1177.12921
220.0000 -168.17745 -157.77044 10.40701 3.26503 -158.32009 1290.62932
225.0000 -169.89998 -159.95460 9.94538 3.23393 -158.86339 1251.63720
230.0000 -170.74528 -161.79340 8.95188 3.08826 -161.40769 1164.24756
235.0000 -170.40540 -157.45045 12.95495 3.18441 -159.72824 1192.68406
240.0000 -171.67839 -161.30803 10.37036 3.22984 -158.93471 1262.60093
245.0000 -170.55840 -158.45509 12.10331 3.13211 -160.64189 1201.27928
250.0000 -167.63924 -156.86840 10.77084 3.30717 -157.58403 1286.30401
FREEZING PROCESS: loop number 2 T-loop= 1243.0000000000000
main_MD> interactions number 2 at Temperature= 1243.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.28041 -2.35494 3.30631
force_rgl> df(natom) 3.80988 -3.92219 -5.52297
255.0000 -173.18624 -160.90948 12.27676 3.22738 -158.97780 1218.77246
260.0000 -169.90207 -159.36913 10.53293 3.15505 -160.24119 1204.61433
265.0000 -171.37175 -161.56712 9.80463 3.22168 -159.07730 1217.02174
270.0000 -173.77076 -162.46007 11.31069 3.03936 -162.26187 1118.76732
275.0000 -172.34147 -162.34208 9.99938 3.05330 -162.01845 1171.02053
280.0000 -172.17275 -160.56018 11.61258 3.10438 -161.12614 1171.34774
285.0000 -173.62178 -162.37592 11.24586 3.14560 -160.40624 1230.80846
290.0000 -171.86603 -160.17721 11.68882 3.11626 -160.91874 1196.22425
295.0000 -172.32243 -161.58747 10.73495 3.07622 -161.61801 1141.12647
300.0000 -169.91999 -158.32350 11.59650 3.23233 -158.89135 1228.48603
305.0000 -170.81710 -157.57115 13.24594 3.28101 -158.04105 1267.62264
310.0000 -170.86661 -158.83583 12.03078 3.32111 -157.34061 1323.02490
315.0000 -171.00260 -159.31961 11.68299 3.18082 -159.79095 1232.31367
320.0000 -168.83866 -156.65893 12.17973 3.22089 -159.09120 1238.38236
325.0000 -169.45611 -158.01008 11.44603 3.32898 -157.20305 1317.82277
330.0000 -172.56266 -158.88054 13.68212 3.28729 -157.93129 1302.09958
335.0000 -169.63538 -157.55791 12.07747 3.29088 -157.86865 1315.64360
340.0000 -171.31472 -159.14538 12.16934 3.20486 -159.37105 1223.79054
345.0000 -167.54045 -155.89092 11.64953 3.29784 -157.74696 1303.93817
350.0000 -167.15392 -154.69540 12.45852 3.47284 -154.69030 1401.92925
355.0000 -169.68625 -155.15242 14.53383 3.49894 -154.23453 1406.82981
360.0000 -171.32174 -158.04430 13.27744 3.32448 -157.28164 1310.89208
365.0000 -170.98856 -159.58279 11.40578 3.24012 -158.75531 1303.70689
370.0000 -171.06579 -160.40576 10.66003 3.19842 -159.48353 1239.08953
375.0000 -171.87267 -160.99861 10.87406 3.12446 -160.77549 1217.22639
380.0000 -170.03318 -158.89348 11.13970 3.14887 -160.34915 1212.54344
385.0000 -170.22992 -157.97976 12.25016 3.22524 -159.01510 1228.12100
390.0000 -170.53473 -157.49414 13.04059 3.39505 -156.04909 1378.21264
395.0000 -169.07318 -156.84699 12.22619 3.31026 -157.53007 1316.87940
400.0000 -167.35541 -155.50680 11.84862 3.36989 -156.48862 1357.82047
405.0000 -171.72207 -159.21839 12.50368 3.27441 -158.15621 1301.89110
410.0000 -169.51625 -159.91622 9.60004 3.23892 -158.77619 1252.07923
415.0000 -170.06622 -158.66855 11.39768 3.13364 -160.61509 1171.25365
420.0000 -172.26086 -159.19883 13.06203 3.21989 -159.10866 1242.84188
425.0000 -169.20576 -155.51841 13.68735 3.32913 -157.20044 1304.20501
430.0000 -169.25846 -158.54224 10.71622 3.36216 -156.62362 1354.79385
435.0000 -171.49323 -160.10625 11.38698 3.23798 -158.79265 1259.99176
440.0000 -169.93727 -157.95538 11.98189 3.19886 -159.47584 1211.24668
445.0000 -169.16721 -157.52326 11.64395 3.33873 -157.03276 1339.25780
450.0000 -170.14515 -159.67885 10.46630 3.22437 -159.03028 1237.47655
455.0000 -170.14480 -159.64586 10.49894 3.16734 -160.02640 1213.92687
460.0000 -171.65712 -158.61648 13.04064 3.21199 -159.24650 1217.74034
465.0000 -172.50840 -160.01646 12.49193 3.17893 -159.82405 1218.48525
470.0000 -174.16450 -162.72551 11.43899 3.11051 -161.01919 1189.97678
475.0000 -171.30824 -161.45924 9.84900 3.04436 -162.17449 1127.44001
480.0000 -172.50288 -160.57597 11.92691 3.09530 -161.28469 1157.79031
485.0000 -171.55040 -157.02971 14.52069 3.19544 -159.53572 1247.03345
490.0000 -166.88416 -154.73941 12.14475 3.40266 -155.91607 1360.42096
495.0000 -167.81788 -154.21638 13.60151 3.46976 -154.74407 1395.58736
500.0000 -169.81536 -154.66091 15.15445 3.48899 -154.40828 1460.62750
FREEZING PROCESS: loop number 3 T-loop= 1218.0000000000000
main_MD> interactions number 3 at Temperature= 1218.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.78507 2.59933 -1.77680
force_rgl> df(natom) -2.51997 0.50511 -0.14562
505.0000 -169.73979 -157.67131 12.06848 3.34947 -156.84515 1350.52728
510.0000 -170.04034 -158.73609 11.30424 3.28997 -157.88454 1297.20508
515.0000 -172.13584 -161.65832 10.47752 3.13896 -160.52225 1218.22533
520.0000 -172.24759 -162.14091 10.10668 3.05276 -162.02786 1147.99739
525.0000 -173.75171 -163.57799 10.17372 3.07888 -161.57163 1163.78025
530.0000 -172.29569 -161.05478 11.24090 3.05988 -161.90339 1158.39298
535.0000 -174.94939 -163.87868 11.07071 3.00730 -162.82194 1123.10502
540.0000 -172.16910 -160.56971 11.59939 3.00133 -162.92616 1115.49183
545.0000 -171.12404 -161.67276 9.45128 3.11556 -160.93091 1188.41405
550.0000 -172.70053 -161.70312 10.99740 3.09033 -161.37158 1171.63729
555.0000 -173.11578 -161.60621 11.50957 3.08941 -161.38761 1140.24424
560.0000 -171.98739 -162.10158 9.88581 3.11290 -160.97736 1202.29505
565.0000 -171.46575 -160.58927 10.87648 3.10982 -161.03119 1192.65882
570.0000 -171.27852 -157.57435 13.70418 3.22960 -158.93903 1259.99626
575.0000 -169.88761 -158.17914 11.70847 3.26588 -158.30528 1279.17497
580.0000 -168.88632 -157.65006 11.23627 3.24201 -158.72226 1213.66991
585.0000 -169.55362 -157.26642 12.28721 3.29804 -157.74348 1289.46728
590.0000 -169.49228 -157.35899 12.13329 3.32474 -157.27724 1301.14857
595.0000 -173.10383 -159.96409 13.13974 3.22046 -159.09868 1276.57214
600.0000 -172.67086 -158.72349 13.94738 3.13732 -160.55081 1230.20058
605.0000 -170.96451 -157.97169 12.99282 3.22500 -159.01940 1261.98121
610.0000 -172.92378 -161.39685 11.52693 3.16863 -160.00401 1235.76292
615.0000 -171.13968 -160.42858 10.71110 3.06187 -161.86876 1160.91025
620.0000 -167.90595 -157.27173 10.63423 3.17589 -159.87707 1222.27716
625.0000 -171.42173 -158.85552 12.56621 3.29198 -157.84938 1287.23004
630.0000 -171.53287 -160.01302 11.51985 3.20211 -159.41921 1219.23887
635.0000 -170.04794 -156.82566 13.22228 3.24808 -158.61617 1284.06643
640.0000 -172.50041 -160.57968 11.92072 3.17269 -159.93307 1223.42435
645.0000 -171.48884 -160.60434 10.88449 3.16778 -160.01875 1210.92193
650.0000 -170.36821 -157.24958 13.11863 3.25930 -158.42021 1254.69826
655.0000 -168.61987 -157.09973 11.52015 3.34135 -156.98713 1316.29011
660.0000 -170.13544 -159.25314 10.88230 3.27388 -158.16555 1265.57098
665.0000 -173.66430 -161.23714 12.42715 3.16755 -160.02281 1208.10532
670.0000 -172.71358 -160.74097 11.97261 3.20080 -159.44195 1241.54511
675.0000 -170.99352 -161.91022 9.08330 3.12324 -160.79674 1199.12573
680.0000 -171.43087 -158.50892 12.92195 3.15873 -160.17688 1198.11842
685.0000 -173.67608 -162.40404 11.27204 3.12240 -160.81146 1215.59160
690.0000 -171.77293 -161.84816 9.92477 3.05657 -161.96121 1153.10974
695.0000 -172.57772 -161.70848 10.86924 3.13896 -160.52220 1189.88981
700.0000 -168.51086 -157.70872 10.80214 3.17001 -159.97978 1180.21689
705.0000 -171.89501 -161.78260 10.11242 3.17548 -159.88420 1218.20399
710.0000 -172.97186 -162.43728 10.53457 3.11873 -160.87558 1185.00662
715.0000 -171.82020 -159.03235 12.78784 3.13745 -160.54854 1178.92501
720.0000 -171.54250 -159.21235 12.33016 3.25615 -158.47519 1264.69379
725.0000 -170.70444 -159.41668 11.28776 3.22098 -159.08959 1237.03347
730.0000 -172.31563 -161.08538 11.23025 3.15381 -160.26281 1201.78481
735.0000 -172.12272 -160.49445 11.62826 3.07380 -161.66034 1114.04278
740.0000 -173.69041 -160.11971 13.57070 3.17342 -159.92019 1198.06077
745.0000 -174.67866 -163.88615 10.79251 2.99843 -162.97675 1090.18031
750.0000 -172.15947 -162.24746 9.91201 3.04011 -162.24876 1118.07250
FREEZING PROCESS: loop number 4 T-loop= 1193.0000000000000
main_MD> interactions number 4 at Temperature= 1193.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04351 0.12374 -0.58699
force_rgl> df(natom) 1.52131 -0.85711 -0.93338
755.0000 -173.46633 -162.62335 10.84298 3.04114 -162.23081 1142.92623
760.0000 -171.99025 -161.51431 10.47595 3.07585 -161.62446 1161.51650
765.0000 -171.27147 -160.57180 10.69967 3.13844 -160.53124 1181.90437
770.0000 -173.22370 -162.34801 10.87569 3.07407 -161.65558 1153.08599
775.0000 -171.72934 -160.55104 11.17830 3.08902 -161.39454 1201.64539
780.0000 -168.68355 -160.20830 8.47525 3.09297 -161.32546 1166.16386
785.0000 -172.34121 -159.38006 12.96116 3.14098 -160.48684 1195.04754
790.0000 -171.78610 -159.89068 11.89542 3.17231 -159.93973 1219.07508
795.0000 -170.43155 -158.45925 11.97230 3.17638 -159.86851 1227.48153
800.0000 -169.38278 -158.16299 11.21980 3.26546 -158.31266 1266.10477
805.0000 -171.89374 -158.33787 13.55587 3.30804 -157.56879 1300.02295
810.0000 -171.14875 -158.45162 12.69713 3.17025 -159.97569 1213.10760
815.0000 -170.09862 -156.51674 13.58188 3.23187 -158.89938 1249.42714
820.0000 -170.43201 -158.22095 12.21105 3.30998 -157.53505 1282.12622
825.0000 -171.01176 -159.68841 11.32335 3.21827 -159.13683 1223.90759
830.0000 -172.43247 -159.56183 12.87064 3.26645 -158.29540 1279.34409
835.0000 -170.03388 -159.02878 11.00511 3.21244 -159.23866 1241.47648
840.0000 -171.52876 -161.31304 10.21571 3.17526 -159.88805 1242.75615
845.0000 -172.84956 -160.85980 11.98975 3.09490 -161.29177 1163.00150
850.0000 -172.74124 -160.81345 11.92779 3.13835 -160.53275 1194.35293
855.0000 -171.13908 -161.62563 9.51345 3.13891 -160.52310 1188.74238
860.0000 -172.96826 -160.56796 12.40029 3.09770 -161.24288 1170.33718
865.0000 -170.76770 -158.27858 12.48911 3.18407 -159.73423 1240.83213
870.0000 -171.62263 -158.83089 12.79173 3.21460 -159.20095 1285.56371
875.0000 -172.11368 -159.98181 12.13187 3.19153 -159.60402 1250.00097
880.0000 -171.04870 -159.09626 11.95245 3.24002 -158.75704 1223.20498
885.0000 -171.67917 -158.09033 13.58884 3.23592 -158.82862 1269.18353
890.0000 -168.32116 -155.06458 13.25658 3.35873 -156.68346 1362.22915
895.0000 -172.88032 -160.26097 12.61936 3.26040 -158.40106 1294.90447
900.0000 -171.88672 -160.14146 11.74526 3.14020 -160.50051 1210.05308
905.0000 -172.62058 -161.50338 11.11720 3.16649 -160.04133 1220.43606
910.0000 -172.59069 -161.22926 11.36143 3.07234 -161.68589 1154.74802
915.0000 -170.52414 -157.42259 13.10155 3.17009 -159.97836 1223.76653
920.0000 -168.67542 -155.91212 12.76331 3.29488 -157.79866 1313.66318
925.0000 -171.29965 -160.12642 11.17323 3.29103 -157.86603 1271.29206
930.0000 -170.79406 -159.94336 10.85069 3.15103 -160.31127 1184.87922
935.0000 -170.33558 -158.19253 12.14304 3.20603 -159.35060 1215.13203
940.0000 -168.96138 -158.62703 10.33435 3.27595 -158.12947 1261.19554
945.0000 -171.14667 -158.99821 12.14846 3.22173 -159.07645 1222.36056
950.0000 -173.42172 -162.32457 11.09715 3.13519 -160.58798 1171.30487
955.0000 -172.05196 -161.38701 10.66495 3.11924 -160.86661 1201.54408
960.0000 -172.49787 -161.01185 11.48602 3.13522 -160.58743 1211.21286
965.0000 -172.79477 -162.90364 9.89113 3.01192 -162.74122 1131.82542
970.0000 -173.15752 -161.41341 11.74411 3.09395 -161.30839 1175.98296
975.0000 -171.00869 -160.59582 10.41287 3.12591 -160.75013 1211.68741
980.0000 -172.14778 -162.39578 9.75199 3.04446 -162.17280 1095.86325
985.0000 -173.05570 -161.29653 11.75917 3.02903 -162.44225 1135.28343
990.0000 -171.59279 -160.07805 11.51474 3.12320 -160.79746 1206.70595
995.0000 -170.58226 -158.47998 12.10228 3.18587 -159.70283 1230.08200
1000.0000 -173.49017 -160.89031 12.59986 3.22276 -159.05839 1263.16152
FREEZING PROCESS: loop number 5 T-loop= 1168.0000000000000
main_MD> interactions number 5 at Temperature= 1168.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.71322 0.37666 -2.58571
force_rgl> df(natom) 0.04477 -2.67884 -0.36927
1005.0000 -171.09723 -160.53500 10.56222 3.13835 -160.53284 1214.50263
1010.0000 -171.55098 -160.43746 11.11353 3.17510 -159.89099 1179.25766
1015.0000 -173.06635 -161.81148 11.25487 3.09272 -161.32986 1143.17346
1020.0000 -172.04248 -161.57270 10.46978 3.06004 -161.90064 1132.83756
1025.0000 -172.37102 -161.12760 11.24341 3.11518 -160.93758 1149.03367
1030.0000 -173.94460 -164.27805 9.66655 3.08290 -161.50144 1159.63198
1035.0000 -173.03084 -162.88212 10.14872 2.89911 -164.71167 1039.40835
1040.0000 -172.32418 -162.17092 10.15326 3.04626 -162.14136 1161.82880
1045.0000 -172.78510 -161.34314 11.44196 3.13615 -160.57134 1171.63804
1050.0000 -172.61780 -162.96174 9.65606 3.12179 -160.82201 1167.90405
1055.0000 -172.76320 -161.76597 10.99723 3.02219 -162.56185 1110.64708
1060.0000 -170.49893 -158.36523 12.13370 3.20619 -159.34781 1253.39348
1065.0000 -174.92617 -163.77414 11.15204 3.12657 -160.73861 1134.73592
1070.0000 -173.73359 -164.54217 9.19142 2.94787 -163.85987 1069.86501
1075.0000 -172.40584 -161.87794 10.52789 2.92639 -164.23502 1056.83957
1080.0000 -173.85269 -162.90519 10.94750 2.99346 -163.06367 1094.95075
1085.0000 -171.50713 -162.00721 9.49992 2.99369 -163.05956 1100.13115
1090.0000 -171.28234 -161.18863 10.09371 3.14259 -160.45883 1209.92133
1095.0000 -170.26613 -158.33402 11.93211 3.13713 -160.55414 1180.00376
1100.0000 -168.82043 -155.54675 13.27368 3.33893 -157.02939 1298.11312
1105.0000 -171.65118 -160.00564 11.64555 3.25816 -158.44009 1252.12525
1110.0000 -173.18103 -160.17746 13.00357 3.20040 -159.44906 1241.37472
1115.0000 -171.22782 -160.81357 10.41425 3.12130 -160.83072 1169.32208
1120.0000 -170.72310 -158.40869 12.31442 3.08978 -161.38114 1157.59062
1125.0000 -170.46498 -158.56305 11.90193 3.18585 -159.70307 1225.47098
1130.0000 -171.41633 -158.86926 12.54706 3.25401 -158.51254 1268.06730
1135.0000 -169.02665 -156.91449 12.11216 3.26972 -158.23817 1272.42047
1140.0000 -168.64471 -157.15867 11.48604 3.27767 -158.09939 1297.92217
1145.0000 -172.39756 -160.65397 11.74359 3.23558 -158.83455 1265.32293
1150.0000 -172.74865 -162.40956 10.33909 3.09752 -161.24597 1177.13406
1155.0000 -172.51607 -163.59277 8.92330 3.00588 -162.84667 1119.80073
1160.0000 -170.10808 -160.35862 9.74946 3.00222 -162.91055 1061.83273
1165.0000 -170.75274 -160.03475 10.71798 3.15732 -160.20141 1188.64342
1170.0000 -172.63185 -160.81703 11.81482 3.10685 -161.08302 1166.98999
1175.0000 -172.55711 -162.72315 9.83396 3.07727 -161.59963 1148.48010
1180.0000 -172.57344 -161.89521 10.67823 3.06753 -161.76987 1138.53859
1185.0000 -171.46642 -160.65079 10.81564 3.13272 -160.63114 1181.20388
1190.0000 -173.13810 -160.50750 12.63060 3.07012 -161.72452 1145.74317
1195.0000 -172.17416 -160.60009 11.57407 3.15597 -160.22498 1195.25627
1200.0000 -171.38345 -159.65515 11.72830 3.20364 -159.39237 1238.96603
1205.0000 -173.78321 -160.62960 13.15360 3.13268 -160.63189 1167.39122
1210.0000 -172.41771 -161.30240 11.11530 3.10874 -161.05005 1167.09709
1215.0000 -174.42738 -162.36883 12.05855 3.03107 -162.40659 1134.43421
1220.0000 -171.97647 -160.16789 11.80858 3.11522 -160.93691 1190.34393
1225.0000 -171.15135 -160.19033 10.96102 3.11114 -161.00807 1161.11500
1230.0000 -172.66256 -161.87286 10.78969 3.09570 -161.27774 1168.06926
1235.0000 -172.24223 -160.77421 11.46803 3.08648 -161.43882 1166.14744
1240.0000 -172.89829 -161.63500 11.26330 3.07264 -161.68065 1148.04186
1245.0000 -171.33511 -158.39902 12.93608 3.15236 -160.28815 1241.05604
1250.0000 -172.73506 -161.76146 10.97360 3.16876 -160.00166 1231.03161
FREEZING PROCESS: loop number 6 T-loop= 1143.0000000000000
main_MD> interactions number 6 at Temperature= 1143.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.53659 1.27629 -3.12563
force_rgl> df(natom) 2.39619 -2.08604 5.26134
1255.0000 -172.79647 -162.81579 9.98068 3.06128 -161.87908 1131.27011
1260.0000 -173.15429 -163.00976 10.14453 3.01672 -162.65729 1101.80365
1265.0000 -175.88160 -163.19093 12.69067 3.01894 -162.61856 1142.92011
1270.0000 -173.00704 -162.66390 10.34313 3.00154 -162.92243 1099.26921
1275.0000 -173.90413 -162.78695 11.11718 2.98467 -163.21723 1078.31248
1280.0000 -173.72261 -163.52876 10.19385 2.99826 -162.97975 1092.12089
1285.0000 -173.38404 -163.86724 9.51681 2.95134 -163.79929 1032.47195
1290.0000 -174.61883 -163.78406 10.83476 2.92779 -164.21071 1079.59246
1295.0000 -175.01626 -163.68003 11.33623 2.97345 -163.41303 1064.36249
1300.0000 -174.64229 -162.37155 12.27074 2.98727 -163.17171 1115.28176
1305.0000 -173.53174 -161.93330 11.59844 3.08468 -161.47034 1173.63872
1310.0000 -173.44971 -162.65978 10.78993 3.05042 -162.06865 1139.75556
1315.0000 -170.06412 -160.15827 9.90585 3.08053 -161.54273 1111.51287
1320.0000 -174.37999 -162.87070 11.50929 3.09356 -161.31519 1156.88761
1325.0000 -173.64450 -162.09674 11.54775 3.03648 -162.31217 1128.82823
1330.0000 -172.31784 -160.56505 11.75278 3.11673 -160.91054 1181.42864
1335.0000 -173.46184 -160.37643 13.08541 3.04360 -162.18779 1143.21974
1340.0000 -172.59720 -159.39851 13.19869 3.17284 -159.93043 1206.86703
1345.0000 -172.62505 -162.24365 10.38140 3.13024 -160.67449 1200.70826
1350.0000 -174.85500 -163.93221 10.92279 3.01369 -162.71018 1133.50792
1355.0000 -172.58656 -162.00537 10.58119 3.01005 -162.77387 1144.29989
1360.0000 -173.83788 -162.47195 11.36593 3.04772 -162.11577 1123.06440
1365.0000 -174.56208 -164.66680 9.89528 2.91968 -164.35235 1052.04237
1370.0000 -173.17097 -162.68978 10.48119 2.95948 -163.65711 1074.07911
1375.0000 -173.14474 -160.94217 12.20257 3.08486 -161.46709 1173.05743
1380.0000 -173.22571 -161.58300 11.64272 3.21232 -159.24083 1257.63476
1385.0000 -170.21380 -157.62615 12.58765 3.18585 -159.70314 1192.29360
1390.0000 -170.53068 -158.70752 11.82316 3.18718 -159.67986 1229.47039
1395.0000 -171.02831 -157.89387 13.13444 3.22468 -159.02494 1240.73016
1400.0000 -169.59691 -159.10272 10.49420 3.29248 -157.84067 1294.68342
1405.0000 -173.66830 -161.86297 11.80533 3.11392 -160.95952 1198.70674
1410.0000 -175.07106 -162.21749 12.85356 3.07750 -161.59574 1161.72523
1415.0000 -171.27775 -159.93829 11.33946 3.09028 -161.37250 1145.85982
1420.0000 -173.86630 -164.63162 9.23469 3.01951 -162.60857 1107.49377
1425.0000 -171.50004 -162.23229 9.26775 2.98259 -163.25345 1098.44544
1430.0000 -172.31176 -161.30487 11.00689 3.09513 -161.28767 1152.88483
1435.0000 -170.94704 -160.67670 10.27034 3.09537 -161.28356 1213.91786
1440.0000 -171.06600 -160.10789 10.95811 3.12966 -160.68469 1173.30236
1445.0000 -173.42234 -163.28722 10.13512 3.12060 -160.84279 1192.53849
1450.0000 -171.94126 -162.28962 9.65164 2.95588 -163.71994 1106.95057
1455.0000 -170.55948 -159.04792 11.51157 3.09416 -161.30465 1200.90243
1460.0000 -171.90140 -159.91699 11.98441 3.15791 -160.19119 1191.96196
1465.0000 -171.38115 -158.74455 12.63661 3.23574 -158.83181 1245.64021
1470.0000 -173.60595 -161.29006 12.31589 3.18119 -159.78453 1233.75709
1475.0000 -172.65897 -162.36389 10.29509 3.07064 -161.71550 1163.97988
1480.0000 -170.91087 -157.49261 13.41826 3.20947 -159.29055 1245.54980
1485.0000 -172.91423 -159.37594 13.53829 3.23808 -158.79080 1276.59408
1490.0000 -172.74950 -161.93387 10.81563 3.07878 -161.57329 1145.15806
1495.0000 -173.57967 -162.69464 10.88503 3.01468 -162.69296 1109.50714
1500.0000 -174.35379 -163.30929 11.04450 2.96253 -163.60384 1070.53026
FREEZING PROCESS: loop number 7 T-loop= 1118.0000000000000
main_MD> interactions number 7 at Temperature= 1118.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.57019 0.02185 -2.98525
force_rgl> df(natom) -2.07762 1.69430 -6.78925
1505.0000 -170.91503 -160.71212 10.20291 3.06255 -161.85680 1164.97045
1510.0000 -172.03000 -161.83870 10.19129 3.09276 -161.32912 1155.51790
1515.0000 -172.25259 -162.30943 9.94316 3.08769 -161.41778 1120.37113
1520.0000 -172.82206 -163.46494 9.35712 3.00597 -162.84505 1135.56602
1525.0000 -175.18615 -165.76838 9.41777 2.91282 -164.47216 1022.44132
1530.0000 -176.37031 -168.07566 8.29465 2.79059 -166.60719 967.43199
1535.0000 -174.63647 -165.37462 9.26185 2.81576 -166.16742 992.81014
1540.0000 -172.34266 -163.00343 9.33923 2.92348 -164.28601 1058.51738
1545.0000 -173.75865 -163.33125 10.42740 2.96769 -163.51370 1108.13476
1550.0000 -174.21236 -161.87318 12.33918 2.95224 -163.78357 1081.26618
1555.0000 -175.32611 -164.12560 11.20051 2.96853 -163.49910 1062.36054
1560.0000 -172.83470 -163.93267 8.90203 2.97523 -163.38198 1086.19156
1565.0000 -174.10532 -164.75529 9.35003 2.91674 -164.40372 1047.68302
1570.0000 -174.60429 -166.62570 7.97859 2.86234 -165.35386 1029.42278
1575.0000 -173.95241 -166.10078 7.85163 2.82029 -166.08840 991.92942
1580.0000 -174.09554 -163.05020 11.04534 2.91550 -164.42538 1042.49366
1585.0000 -173.79491 -163.84871 9.94620 2.93680 -164.05333 1058.04564
1590.0000 -172.88527 -163.62626 9.25900 2.98169 -163.26918 1108.29780
1595.0000 -173.67197 -164.35244 9.31953 2.97261 -163.42778 1083.98885
1600.0000 -174.04320 -163.89651 10.14669 2.97025 -163.46901 1090.99104
1605.0000 -172.46483 -163.73564 8.72919 2.93924 -164.01069 1050.11032
1610.0000 -173.23185 -163.78488 9.44697 2.91647 -164.40845 1035.91022
1615.0000 -174.83851 -165.03799 9.80052 2.89817 -164.72810 1008.04109
1620.0000 -175.73067 -164.21729 11.51338 2.91915 -164.36164 1043.67116
1625.0000 -173.87652 -163.29728 10.57924 2.99640 -163.01233 1067.35130
1630.0000 -172.09048 -159.70490 12.38558 3.02616 -162.49240 1129.48217
1635.0000 -171.48822 -160.31149 11.17673 3.12019 -160.85003 1183.37901
1640.0000 -172.71367 -162.73789 9.97577 3.07616 -161.61909 1178.10744
1645.0000 -173.18994 -162.64895 10.54100 3.01959 -162.60714 1143.54942
1650.0000 -175.38018 -165.78670 9.59347 2.97708 -163.34968 1083.40628
1655.0000 -173.02070 -162.60615 10.41455 2.97407 -163.40222 1090.01340
1660.0000 -173.73204 -162.47143 11.26061 2.99179 -163.09274 1104.38372
1665.0000 -171.13264 -160.85408 10.27856 3.10827 -161.05824 1184.33734
1670.0000 -173.52309 -160.49414 13.02895 3.13162 -160.65042 1190.69858
1675.0000 -172.76546 -162.68909 10.07637 3.02785 -162.46294 1113.93333
1680.0000 -173.19044 -161.73594 11.45449 3.05196 -162.04172 1135.46992
1685.0000 -174.83849 -163.96504 10.87345 3.06162 -161.87304 1144.03520
1690.0000 -172.91922 -164.07493 8.84429 2.85493 -165.48337 999.89853
1695.0000 -175.25917 -164.05430 11.20487 2.95111 -163.80340 1070.87422
1700.0000 -172.17025 -163.29908 8.87117 2.95687 -163.70278 1077.55994
1705.0000 -173.88062 -162.42648 11.45414 2.98809 -163.15739 1109.82856
1710.0000 -173.74427 -163.76719 9.97708 2.97177 -163.44238 1078.41106
1715.0000 -173.42925 -161.41404 12.01522 3.06084 -161.88665 1150.57685
1720.0000 -172.66112 -162.29638 10.36474 3.08567 -161.45296 1159.36522
1725.0000 -173.63526 -164.15984 9.47543 2.99222 -163.08522 1068.38890
1730.0000 -171.60045 -161.64838 9.95207 3.02471 -162.51781 1119.46674
1735.0000 -173.19761 -162.31120 10.88641 3.09664 -161.26131 1149.38699
1740.0000 -173.35700 -163.78842 9.56859 3.02970 -162.43062 1098.30965
1745.0000 -172.14700 -163.24439 8.90261 2.97933 -163.31040 1071.76817
1750.0000 -173.14477 -161.96975 11.17502 2.98191 -163.26539 1101.82292
FREEZING PROCESS: loop number 8 T-loop= 1093.0000000000000
main_MD> interactions number 8 at Temperature= 1093.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.44818 1.72021 0.42154
force_rgl> df(natom) 4.80731 -0.86676 1.02946
1755.0000 -172.69708 -162.14954 10.54754 3.07927 -161.56483 1180.98095
1760.0000 -173.94730 -162.55769 11.38961 3.07477 -161.64344 1146.76928
1765.0000 -173.77766 -162.85754 10.92012 2.98052 -163.28962 1077.07571
1770.0000 -174.69747 -165.35195 9.34552 2.92215 -164.30920 1014.13163
1775.0000 -170.76651 -161.62892 9.13758 2.94974 -163.82732 1062.25192
1780.0000 -173.32980 -163.67061 9.65919 3.04428 -162.17596 1097.90586
1785.0000 -172.70730 -161.87528 10.83202 3.00518 -162.85882 1105.70423
1790.0000 -173.03937 -161.94820 11.09117 3.03371 -162.36064 1118.56344
1795.0000 -175.22940 -164.22447 11.00493 2.93560 -164.07417 1087.23782
1800.0000 -173.65814 -165.17368 8.48446 2.87676 -165.10202 1014.45084
1805.0000 -174.74035 -165.67687 9.06348 2.89694 -164.74947 1054.60413
1810.0000 -172.80964 -162.94111 9.86853 2.91097 -164.50450 1032.46292
1815.0000 -174.54781 -161.73812 12.80969 3.04378 -162.18467 1104.44132
1820.0000 -173.12565 -163.31762 9.80803 3.03775 -162.28997 1140.06818
1825.0000 -174.52978 -164.97748 9.55230 2.94273 -163.94964 1083.76391
1830.0000 -172.72571 -162.89167 9.83404 2.94114 -163.97740 1071.93434
1835.0000 -172.53243 -164.00638 8.52605 2.98159 -163.27099 1068.46224
1840.0000 -173.10197 -163.32225 9.77972 2.97148 -163.44761 1071.64144
1845.0000 -174.57610 -164.44738 10.12872 2.85875 -165.41652 1004.93504
1850.0000 -170.23806 -160.39105 9.84701 2.99423 -163.05012 1064.51269
1855.0000 -171.61388 -161.02495 10.58893 3.15195 -160.29525 1181.87043
1860.0000 -172.73785 -162.31258 10.42527 3.07351 -161.66545 1128.13177
1865.0000 -173.20307 -163.54849 9.65458 3.01300 -162.72225 1086.36932
1870.0000 -172.85223 -163.78900 9.06323 2.97260 -163.42790 1053.10587
1875.0000 -173.45090 -163.31929 10.13161 3.00725 -162.82276 1088.52420
1880.0000 -171.62335 -160.83560 10.78776 3.02186 -162.56749 1092.24823
1885.0000 -172.80832 -160.23565 12.57267 3.13652 -160.56472 1179.76198
1890.0000 -174.97347 -163.17746 11.79601 3.10192 -161.16915 1183.39573
1895.0000 -174.98422 -165.75361 9.23062 2.93850 -164.02357 1082.22589
1900.0000 -172.81160 -162.37862 10.43298 2.96540 -163.55377 1073.64299
1905.0000 -172.56113 -164.69488 7.86625 2.97359 -163.41065 1069.53377
1910.0000 -174.10865 -163.20187 10.90678 2.97533 -163.38034 1054.49856
1915.0000 -173.87408 -163.73488 10.13920 2.95090 -163.80697 1075.73486
1920.0000 -174.22105 -164.70776 9.51329 2.89072 -164.85816 1026.57092
1925.0000 -173.29647 -163.71785 9.57862 2.90681 -164.57718 1022.39795
1930.0000 -172.85403 -163.57984 9.27419 3.01744 -162.64470 1107.15077
1935.0000 -173.02244 -163.40779 9.61465 2.98573 -163.19859 1111.35628
1940.0000 -175.29120 -164.53585 10.75535 2.91103 -164.50342 1030.95808
1945.0000 -176.05293 -166.06041 9.99251 2.82442 -166.01625 978.81088
1950.0000 -175.35352 -164.74057 10.61295 2.81333 -166.20992 976.05428
1955.0000 -174.93332 -164.70162 10.23170 2.90969 -164.52689 1065.91261
1960.0000 -173.74886 -164.77390 8.97496 2.81662 -166.15249 993.06816
1965.0000 -173.59016 -162.93352 10.65664 2.96152 -163.62156 1059.17879
1970.0000 -172.93649 -161.77148 11.16501 3.02461 -162.51958 1120.02747
1975.0000 -172.72483 -162.80053 9.92430 3.05425 -162.00173 1134.88961
1980.0000 -172.98913 -159.65043 13.33870 3.07822 -161.58313 1167.64314
1985.0000 -170.52735 -160.67227 9.85508 3.15779 -160.19335 1216.34327
1990.0000 -174.37384 -161.94611 12.42772 3.06302 -161.84869 1133.14046
1995.0000 -174.45765 -165.13927 9.31839 2.99131 -163.10123 1085.02033
2000.0000 -174.34272 -165.25447 9.08825 2.91496 -164.43474 1030.86497
FREEZING PROCESS: loop number 9 T-loop= 1068.0000000000000
main_MD> interactions number 9 at Temperature= 1068.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05706 -1.54357 -1.59364
force_rgl> df(natom) -4.33974 -0.00806 -0.76821
2005.0000 -175.58647 -166.15136 9.43512 2.84263 -165.69815 984.95433
2010.0000 -174.18586 -165.46272 8.72315 2.84209 -165.70760 1012.73612
2015.0000 -172.18460 -161.51165 10.67294 2.98688 -163.17855 1086.27616
2020.0000 -172.11277 -161.60927 10.50350 3.03919 -162.26482 1118.61328
2025.0000 -171.03805 -159.38983 11.64823 3.12863 -160.70269 1191.66635
2030.0000 -171.47542 -161.32813 10.14729 3.12235 -160.81225 1161.52854
2035.0000 -171.86328 -161.44678 10.41650 3.04006 -162.24967 1125.47277
2040.0000 -174.46228 -164.44305 10.01923 2.98580 -163.19747 1078.95107
2045.0000 -175.86469 -166.64072 9.22397 2.81205 -166.23230 945.48420
2050.0000 -175.49983 -166.23589 9.26394 2.80977 -166.27216 993.19591
2055.0000 -174.28995 -164.92399 9.36596 2.80442 -166.36550 969.09982
2060.0000 -173.12815 -163.91804 9.21010 2.88314 -164.99046 1052.62568
2065.0000 -175.30506 -166.00820 9.29686 2.87693 -165.09907 1024.80628
2070.0000 -173.11414 -164.46868 8.64546 2.91159 -164.49361 1011.69325
2075.0000 -172.31043 -162.30074 10.00969 3.00081 -162.93528 1066.29652
2080.0000 -175.17990 -164.87149 10.30841 2.94538 -163.90336 1058.42605
2085.0000 -174.13211 -164.59553 9.53658 2.90289 -164.64558 1026.70335
2090.0000 -174.24425 -164.13446 10.10978 2.88944 -164.88053 1029.84519
2095.0000 -174.32240 -164.97453 9.34786 2.90559 -164.59846 1055.29962
2100.0000 -170.87849 -161.84757 9.03092 3.02052 -162.59089 1115.82304
2105.0000 -172.85523 -164.34973 8.50550 2.99927 -162.96216 1086.66817
2110.0000 -173.97078 -165.02630 8.94449 2.87945 -165.05498 992.45064
2115.0000 -175.12548 -164.82596 10.29951 2.86457 -165.31486 991.45284
2120.0000 -175.98367 -165.04296 10.94071 2.80457 -166.36288 958.84166
2125.0000 -174.55550 -165.35216 9.20334 2.90075 -164.68298 1019.25362
2130.0000 -174.47421 -165.43771 9.03651 2.88435 -164.96941 1034.18073
2135.0000 -173.49751 -164.27503 9.22247 2.86215 -165.35715 990.82778
2140.0000 -173.51608 -163.61749 9.89859 2.97520 -163.38248 1091.22266
2145.0000 -174.16263 -163.61819 10.54444 2.99756 -162.99202 1110.74839
2150.0000 -172.71038 -163.62183 9.08855 2.96831 -163.50290 1075.59891
2155.0000 -174.71281 -164.61178 10.10103 2.91222 -164.48264 1038.82097
2160.0000 -173.53038 -163.35346 10.17691 2.94977 -163.82672 1059.39853
2165.0000 -174.34174 -164.48828 9.85346 2.92004 -164.34594 1033.32001
2170.0000 -175.24589 -164.24356 11.00233 2.93736 -164.04343 1050.17021
2175.0000 -176.03753 -166.02110 10.01643 2.88680 -164.92669 1023.25824
2180.0000 -171.51828 -162.29032 9.22796 2.96568 -163.54890 1029.47118
2185.0000 -172.83501 -163.38681 9.44820 2.93224 -164.13292 1026.73435
2190.0000 -170.83653 -161.15488 9.68165 3.08484 -161.46740 1151.69866
2195.0000 -173.51007 -163.89576 9.61431 3.02132 -162.57692 1095.91900
2200.0000 -174.25458 -164.39205 9.86253 2.87007 -165.21891 1030.55769
2205.0000 -175.30144 -165.31412 9.98732 2.92741 -164.21732 1047.79077
2210.0000 -175.40421 -165.42626 9.97795 2.89360 -164.80789 1033.92695
2215.0000 -173.88733 -163.16917 10.71817 2.93511 -164.08282 1025.35473
2220.0000 -174.81084 -162.70158 12.10926 3.03417 -162.35260 1109.17876
2225.0000 -172.53797 -161.14845 11.38952 3.03777 -162.28965 1118.18322
2230.0000 -174.07704 -162.97558 11.10146 3.05232 -162.03548 1158.28154
2235.0000 -173.92565 -163.13980 10.78585 2.95201 -163.78760 1087.54434
2240.0000 -171.88692 -162.16456 9.72236 3.02477 -162.51672 1121.27752
2245.0000 -175.10872 -165.83628 9.27244 2.93276 -164.12381 1055.57225
2250.0000 -173.71128 -164.39407 9.31721 2.88393 -164.97678 1032.68608
FREEZING PROCESS: loop number 10 T-loop= 1043.0000000000000
main_MD> interactions number 10 at Temperature= 1043.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33681 2.35883 -1.51205
force_rgl> df(natom) -1.89972 -4.25323 3.49261
2255.0000 -176.78844 -167.53659 9.25185 2.83456 -165.83907 997.48999
2260.0000 -176.53460 -164.62227 11.91233 2.76939 -166.97748 950.23314
2265.0000 -174.06417 -163.80980 10.25437 2.92878 -164.19337 1056.78150
2270.0000 -174.96746 -166.39014 8.57733 2.91166 -164.49236 1050.31909
2275.0000 -176.49456 -166.47346 10.02110 2.79939 -166.45348 946.87808
2280.0000 -177.12870 -167.19267 9.93602 2.80894 -166.28659 950.58537
2285.0000 -174.35013 -164.51669 9.83344 2.82554 -165.99663 991.19637
2290.0000 -175.96613 -166.74109 9.22505 2.85275 -165.52144 1028.45064
2295.0000 -174.71980 -165.22294 9.49686 2.84787 -165.60657 1019.06915
2300.0000 -173.93604 -165.04178 8.89426 2.87574 -165.11975 1009.32229
2305.0000 -173.12547 -163.49250 9.63297 2.91996 -164.34737 1061.08272
2310.0000 -172.19118 -162.71519 9.47599 2.97205 -163.43762 1083.24440
2315.0000 -174.50531 -165.30413 9.20118 2.91839 -164.37488 1055.91846
2320.0000 -173.65110 -164.46625 9.18485 2.87337 -165.16126 991.80935
2325.0000 -176.40616 -166.64819 9.75797 2.91131 -164.49859 1003.84280
2330.0000 -174.30789 -165.57825 8.72965 2.83647 -165.80571 1021.44754
2335.0000 -174.51621 -163.87227 10.64394 2.94663 -163.88156 1091.64168
2340.0000 -174.41838 -164.20171 10.21667 2.93798 -164.03268 1060.73711
2345.0000 -176.00775 -164.47914 11.52861 2.96589 -163.54513 1098.43527
2350.0000 -175.85514 -166.84148 9.01366 2.82426 -166.01899 1004.90396
2355.0000 -175.06548 -165.61673 9.44875 2.83230 -165.87857 993.07502
2360.0000 -174.65062 -166.15354 8.49708 2.87053 -165.21088 1012.57751
2365.0000 -173.88153 -163.34390 10.53763 2.90274 -164.64813 1036.41848
2370.0000 -172.12417 -162.49003 9.63414 3.03063 -162.41435 1093.89017
2375.0000 -175.33665 -163.77036 11.56629 2.99365 -163.06020 1096.69024
2380.0000 -175.18017 -165.32471 9.85546 2.97015 -163.47067 1059.53979
2385.0000 -173.64816 -163.25965 10.38851 2.88796 -164.90632 1039.93890
2390.0000 -176.15372 -165.83193 10.32179 2.88038 -165.03878 1013.89020
2395.0000 -174.33098 -164.55177 9.77921 2.80850 -166.29431 974.90265
2400.0000 -172.94405 -164.20954 8.73451 2.95624 -163.71368 1052.88821
2405.0000 -175.43600 -166.21215 9.22385 2.83831 -165.77367 967.34717
2410.0000 -175.13997 -165.88242 9.25755 2.89688 -164.75053 1029.03912
2415.0000 -173.24394 -162.91477 10.32917 2.92276 -164.29848 1063.81224
2420.0000 -173.60040 -165.02849 8.57191 2.95724 -163.69633 1059.41465
2425.0000 -173.87055 -163.85914 10.01141 2.90900 -164.53881 1032.80793
2430.0000 -175.60372 -165.24179 10.36193 2.89304 -164.81765 1022.30711
2435.0000 -175.33316 -165.55537 9.77779 2.82965 -165.92480 982.80508
2440.0000 -175.11015 -165.20073 9.90942 2.83647 -165.80577 991.44774
2445.0000 -175.16968 -165.15947 10.01021 2.87624 -165.11101 1016.99145
2450.0000 -174.87881 -165.97113 8.90768 2.89221 -164.83207 1028.36020
2455.0000 -175.01522 -165.56248 9.45273 2.91065 -164.51002 1006.04346
2460.0000 -176.23596 -166.01031 10.22565 2.92531 -164.25399 1084.84007
2465.0000 -175.05001 -166.29038 8.75963 2.86506 -165.30636 1001.70005
2470.0000 -174.12198 -165.74649 8.37550 2.80627 -166.33331 984.39229
2475.0000 -174.05456 -165.63512 8.41945 2.82196 -166.05909 977.20388
2480.0000 -175.38118 -166.72286 8.65832 2.81844 -166.12065 992.20475
2485.0000 -177.57620 -167.96090 9.61530 2.70671 -168.07221 925.19756
2490.0000 -176.78019 -168.55100 8.22919 2.72683 -167.72086 928.84228
2495.0000 -175.32842 -166.30282 9.02560 2.77690 -166.84619 959.93155
2500.0000 -174.51665 -164.22803 10.28862 2.91054 -164.51194 1050.16718
FREEZING PROCESS: loop number 11 T-loop= 1018.0000000000000
main_MD> interactions number 11 at Temperature= 1018.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64313 -0.49369 -1.07700
force_rgl> df(natom) 1.53910 -3.86583 -1.08687
2505.0000 -174.56255 -164.69544 9.86711 2.93222 -164.13326 1044.21306
2510.0000 -175.30780 -164.67543 10.63237 2.85907 -165.41093 1015.69808
2515.0000 -174.48819 -163.42238 11.06581 2.98458 -163.21867 1115.44853
2520.0000 -175.14765 -166.53325 8.61440 2.86629 -165.28485 988.12947
2525.0000 -174.69407 -165.95821 8.73586 2.83571 -165.81896 971.40788
2530.0000 -174.38655 -163.93971 10.44684 2.85406 -165.49845 1014.29653
2535.0000 -170.82902 -162.40370 8.42532 2.99593 -163.02052 1076.98249
2540.0000 -173.66936 -164.90190 8.76746 3.00049 -162.94080 1088.41474
2545.0000 -173.35675 -164.47379 8.88296 2.91937 -164.35768 1023.55682
2550.0000 -174.01069 -164.46646 9.54423 2.93247 -164.12896 1049.93037
2555.0000 -175.85711 -166.53888 9.31823 2.84475 -165.66113 976.43423
2560.0000 -173.49532 -163.47606 10.01926 2.87414 -165.14768 1015.91649
2565.0000 -175.65883 -165.92641 9.73243 2.87418 -165.14712 1028.67838
2570.0000 -176.15277 -165.92254 10.23023 2.80144 -166.41766 965.74553
2575.0000 -174.31127 -164.85065 9.46062 2.79248 -166.57403 914.32322
2580.0000 -172.90348 -162.28691 10.61657 2.95150 -163.79645 1060.11671
2585.0000 -171.89905 -162.52556 9.37348 2.98662 -163.18301 1088.87304
2590.0000 -172.42172 -162.69856 9.72317 3.03193 -162.39167 1116.94787
2595.0000 -174.01047 -164.52776 9.48272 3.00134 -162.92591 1068.63085
2600.0000 -175.60631 -165.53083 10.07548 2.87676 -165.10205 1024.02163
2605.0000 -175.44563 -165.88931 9.55632 2.81780 -166.13179 972.93357
2610.0000 -174.13768 -165.54191 8.59577 2.88868 -164.89386 997.15736
2615.0000 -174.89030 -165.25177 9.63853 2.85199 -165.53457 1005.07791
2620.0000 -174.90590 -164.70281 10.20309 2.88519 -164.95475 1020.96653
2625.0000 -174.59562 -164.31825 10.27738 2.90589 -164.59319 997.97230
2630.0000 -175.23924 -165.95750 9.28174 2.90070 -164.68377 1059.61998
2635.0000 -173.07361 -163.68521 9.38839 2.87055 -165.21054 1030.45672
2640.0000 -173.97800 -164.24844 9.72956 2.90858 -164.54625 1032.58856
2645.0000 -174.84289 -165.80853 9.03436 2.79883 -166.46313 978.81455
2650.0000 -173.02106 -164.06039 8.96067 2.86955 -165.22798 1016.27884
2655.0000 -174.81702 -165.12345 9.69357 2.89723 -164.74437 1032.53434
2660.0000 -174.14673 -164.32692 9.81981 2.85533 -165.47629 984.39136
2665.0000 -174.31421 -166.15732 8.15689 2.95225 -163.78345 1056.60082
2670.0000 -173.93079 -166.03517 7.89562 2.83305 -165.86545 972.87897
2675.0000 -174.31312 -164.81571 9.49741 2.83261 -165.87308 977.17670
2680.0000 -175.36282 -165.27153 10.09129 2.85332 -165.51133 1009.08163
2685.0000 -175.86450 -166.26523 9.59927 2.82603 -165.98816 998.48126
2690.0000 -175.10807 -164.57733 10.53074 2.90557 -164.59880 1066.01522
2695.0000 -176.96224 -167.37237 9.58987 2.79787 -166.47996 970.54126
2700.0000 -174.79066 -165.59200 9.19866 2.78110 -166.77293 974.13008
2705.0000 -174.81088 -165.02675 9.78414 2.87712 -165.09575 982.82272
2710.0000 -173.98161 -165.47564 8.50597 2.92563 -164.24844 1020.30869
2715.0000 -173.44175 -163.89303 9.54872 2.82105 -166.07504 954.62209
2720.0000 -173.38487 -164.29440 9.09047 2.90684 -164.57657 1051.19256
2725.0000 -174.10496 -164.49767 9.60729 2.95632 -163.71234 1049.86482
2730.0000 -171.08849 -161.92617 9.16232 3.03008 -162.42391 1122.73537
2735.0000 -174.53636 -165.07510 9.46125 2.89951 -164.70456 1027.57181
2740.0000 -177.15909 -167.80091 9.35818 2.80130 -166.42006 974.56184
2745.0000 -174.77579 -166.40365 8.37214 2.81773 -166.13306 990.66812
2750.0000 -174.88000 -166.56913 8.31087 2.77427 -166.89226 908.21088
FREEZING PROCESS: loop number 12 T-loop= 993.00000000000000
main_MD> interactions number 12 at Temperature= 993.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.84829 -2.73562 -1.54560
force_rgl> df(natom) 3.71266 -0.20929 0.31082
2755.0000 -175.05891 -165.43682 9.62209 2.81519 -166.17745 946.00165
2760.0000 -175.31371 -167.01773 8.29598 2.75527 -167.22408 919.41035
2765.0000 -177.28006 -168.25228 9.02778 2.73127 -167.64321 925.67918
2770.0000 -177.52413 -168.18293 9.34120 2.71950 -167.84881 928.72166
2775.0000 -176.48589 -167.03006 9.45583 2.74604 -167.38533 943.66816
2780.0000 -175.12763 -166.36867 8.75896 2.72035 -167.83391 939.84430
2785.0000 -174.58288 -165.43293 9.14995 2.82008 -166.09198 999.86662
2790.0000 -175.51280 -166.30114 9.21165 2.83300 -165.86635 994.14689
2795.0000 -176.42425 -167.73612 8.68813 2.78306 -166.73866 970.85245
2800.0000 -175.37348 -165.46223 9.91124 2.81303 -166.21518 965.94646
2805.0000 -173.55952 -164.43214 9.12738 2.91295 -164.46983 1049.22875
2810.0000 -175.15749 -167.34432 7.81318 2.80878 -166.28943 998.62720
2815.0000 -174.08456 -165.36566 8.71890 2.83488 -165.83342 977.93136
2820.0000 -172.61720 -163.26958 9.34762 2.96217 -163.61019 1041.03845
2825.0000 -174.65365 -163.47409 11.17956 2.97618 -163.36535 1062.83299
2830.0000 -174.38665 -165.27712 9.10953 2.98384 -163.23159 1113.71555
2835.0000 -176.19271 -166.85928 9.33344 2.80888 -166.28769 994.53074
2840.0000 -174.84123 -165.80501 9.03621 2.83821 -165.77540 991.07664
2845.0000 -173.72177 -163.93132 9.79044 2.84746 -165.61379 1024.79160
2850.0000 -173.11186 -163.17776 9.93409 2.95590 -163.71963 1038.85342
2855.0000 -175.29981 -168.56134 6.73846 2.83291 -165.86788 983.43713
2860.0000 -177.77042 -168.91465 8.85577 2.68572 -168.43889 875.98795
2865.0000 -172.88092 -163.89924 8.98168 2.79070 -166.60523 945.36018
2870.0000 -174.79383 -164.98266 9.81117 2.94831 -163.85232 1058.01357
2875.0000 -174.07671 -163.84930 10.22741 2.99645 -163.01137 1065.74999
2880.0000 -174.53401 -164.09989 10.43412 2.91002 -164.52106 1011.39567
2885.0000 -175.16044 -166.33228 8.82815 2.85521 -165.47835 989.69587
2890.0000 -178.02536 -169.16180 8.86356 2.73218 -167.62731 966.13923
2895.0000 -177.64207 -169.06604 8.57603 2.66734 -168.75995 892.48835
2900.0000 -174.31876 -166.13842 8.18035 2.76156 -167.11424 953.48792
2905.0000 -177.32148 -166.80048 10.52101 2.74916 -167.33079 948.83372
2910.0000 -176.18591 -166.26618 9.91973 2.77687 -166.84677 972.22594
2915.0000 -173.93768 -164.54273 9.39496 2.89798 -164.73137 1027.43255
2920.0000 -175.15353 -166.10498 9.04855 2.86081 -165.38066 1018.96848
2925.0000 -175.67303 -166.08463 9.58840 2.82928 -165.93130 996.77880
2930.0000 -176.05861 -165.60102 10.45759 2.80350 -166.38159 943.93435
2935.0000 -174.33016 -164.31316 10.01700 2.89743 -164.74089 1019.75328
2940.0000 -174.76987 -165.62520 9.14467 2.89505 -164.78256 1013.87306
2945.0000 -177.57736 -168.61986 8.95750 2.76192 -167.10787 971.21229
2950.0000 -175.21704 -165.99675 9.22029 2.80290 -166.39208 981.34030
2955.0000 -177.00140 -167.51496 9.48644 2.79744 -166.48738 941.61854
2960.0000 -175.58604 -167.93636 7.64968 2.72834 -167.69437 926.74381
2965.0000 -174.10692 -164.12344 9.98348 2.82124 -166.07173 976.90659
2970.0000 -176.53201 -166.97421 9.55780 2.88013 -165.04308 1019.15291
2975.0000 -177.90862 -168.00632 9.90229 2.72101 -167.82240 925.73841
2980.0000 -176.43293 -168.18872 8.24421 2.73604 -167.55987 944.45122
2985.0000 -175.57077 -167.51011 8.06066 2.73318 -167.60993 941.47451
2990.0000 -176.03825 -166.91797 9.12028 2.73768 -167.53129 921.50770
2995.0000 -176.31826 -167.26752 9.05074 2.73059 -167.65504 933.56114
3000.0000 -173.87952 -165.67284 8.20669 2.76649 -167.02802 964.24594
FREEZING PROCESS: loop number 13 T-loop= 968.00000000000000
main_MD> interactions number 13 at Temperature= 968.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.51666 -0.16890 -1.70478
force_rgl> df(natom) -1.52035 0.39651 -0.66378
3005.0000 -176.53788 -167.98649 8.55139 2.79581 -166.51585 954.89672
3010.0000 -176.34812 -165.83856 10.50956 2.79912 -166.45807 985.31456
3015.0000 -174.32792 -165.88194 8.44598 2.89430 -164.79563 1021.55692
3020.0000 -174.13051 -167.02590 7.10461 2.78987 -166.61972 915.99522
3025.0000 -175.42476 -166.12506 9.29970 2.80570 -166.34326 961.06579
3030.0000 -176.36456 -167.54375 8.82082 2.75915 -167.15635 915.76757
3035.0000 -175.59316 -165.11349 10.47967 2.86836 -165.24870 1027.70106
3040.0000 -175.61028 -164.06356 11.54671 2.94063 -163.98641 1036.44563
3045.0000 -175.37979 -164.75106 10.62872 2.94713 -163.87288 1050.36916
3050.0000 -174.80684 -165.77244 9.03440 2.84585 -165.64197 1010.57613
3055.0000 -176.29651 -167.55674 8.73977 2.77183 -166.93480 949.72438
3060.0000 -176.40054 -168.18067 8.21987 2.75086 -167.30116 957.98688
3065.0000 -175.85730 -168.08430 7.77300 2.71163 -167.98627 926.72045
3070.0000 -173.83837 -164.66458 9.17379 2.78242 -166.74976 964.86846
3075.0000 -176.40796 -167.91099 8.49697 2.78595 -166.68822 967.24185
3080.0000 -176.35039 -166.61214 9.73825 2.74582 -167.38918 946.07412
3085.0000 -174.98830 -166.24995 8.73835 2.78826 -166.64785 940.66290
3090.0000 -176.32442 -166.55967 9.76475 2.77515 -166.87679 919.33180
3095.0000 -174.55624 -166.43761 8.11863 2.78860 -166.64191 928.69648
3100.0000 -174.91570 -166.29612 8.61957 2.85601 -165.46449 1007.82775
3105.0000 -174.31979 -165.63674 8.68305 2.76642 -167.02926 945.58983
3110.0000 -175.27890 -166.92394 8.35496 2.84477 -165.66081 1036.14828
3115.0000 -175.15709 -166.44806 8.70903 2.78969 -166.62283 949.25795
3120.0000 -174.32520 -165.59232 8.73288 2.82476 -166.01028 985.70848
3125.0000 -176.19949 -167.81050 8.38899 2.80509 -166.35390 968.46315
3130.0000 -176.05152 -166.21380 9.83772 2.79521 -166.52645 962.66991
3135.0000 -176.73026 -168.15068 8.57958 2.74315 -167.43565 892.05367
3140.0000 -177.59461 -168.90093 8.69368 2.72136 -167.81642 911.08989
3145.0000 -175.81163 -167.64566 8.16597 2.69107 -168.34542 865.44217
3150.0000 -177.51874 -168.74682 8.77192 2.68952 -168.37257 850.29622
3155.0000 -175.97750 -167.75028 8.22721 2.69343 -168.30424 888.21393
3160.0000 -176.94435 -168.08314 8.86121 2.73611 -167.55877 931.44017
3165.0000 -177.95897 -169.15833 8.80064 2.66009 -168.88655 885.74750
3170.0000 -176.47517 -165.79533 10.67984 2.70349 -168.12849 916.70791
3175.0000 -174.04588 -165.58319 8.46268 2.81900 -166.11093 961.03876
3180.0000 -175.89708 -166.45300 9.44408 2.84910 -165.58508 986.70895
3185.0000 -178.34123 -168.95746 9.38377 2.77228 -166.92695 937.86051
3190.0000 -177.10420 -168.82817 8.27603 2.66537 -168.79435 890.26520
3195.0000 -175.75009 -166.91829 8.83180 2.72433 -167.76439 900.26361
3200.0000 -175.83411 -166.77789 9.05622 2.76229 -167.10151 941.14938
3205.0000 -176.46834 -166.61966 9.84868 2.78237 -166.75063 959.86788
3210.0000 -174.79468 -165.88723 8.90745 2.77803 -166.82654 939.17123
3215.0000 -176.02192 -166.99647 9.02545 2.78710 -166.66813 941.92328
3220.0000 -175.63745 -167.39399 8.24347 2.76517 -167.05118 967.78434
3225.0000 -177.99852 -168.35246 9.64606 2.68158 -168.51124 901.20188
3230.0000 -175.03606 -165.88855 9.14751 2.74130 -167.46797 926.73222
3235.0000 -175.28668 -165.23202 10.05465 2.85733 -165.44145 1013.45455
3240.0000 -175.45078 -165.47327 9.97751 2.79219 -166.57910 960.88601
3245.0000 -174.99697 -165.15213 9.84483 2.85455 -165.48987 990.23873
3250.0000 -175.12800 -166.51095 8.61705 2.85641 -165.45752 1023.83242
FREEZING PROCESS: loop number 14 T-loop= 943.00000000000000
main_MD> interactions number 14 at Temperature= 943.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.71818 -0.04888 -8.00686
force_rgl> df(natom) -0.13876 -4.91768 0.58266
3255.0000 -177.17179 -167.87888 9.29291 2.77355 -166.90481 961.80609
3260.0000 -176.25710 -167.23231 9.02479 2.75392 -167.24759 941.09157
3265.0000 -176.43584 -167.59580 8.84003 2.71648 -167.90156 916.58222
3270.0000 -175.98045 -166.39194 9.58851 2.76872 -166.98906 961.36978
3275.0000 -176.63461 -168.95316 7.68144 2.68257 -168.49381 926.05042
3280.0000 -177.57585 -168.49829 9.07756 2.72293 -167.78884 934.16717
3285.0000 -176.20061 -168.83051 7.37010 2.67718 -168.58799 894.86533
3290.0000 -176.13609 -166.02332 10.11277 2.74368 -167.42650 913.09477
3295.0000 -177.94554 -167.84737 10.09817 2.70966 -168.02074 915.45750
3300.0000 -176.03861 -168.32009 7.71851 2.64931 -169.07490 892.54996
3305.0000 -176.12112 -167.17714 8.94398 2.78367 -166.72790 952.45214
3310.0000 -176.70930 -167.86840 8.84090 2.73559 -167.56777 913.44734
3315.0000 -176.12450 -167.71406 8.41044 2.70402 -168.11915 915.26315
3320.0000 -175.93733 -167.46253 8.47480 2.66197 -168.85369 882.15752
3325.0000 -177.47961 -169.29295 8.18666 2.72042 -167.83275 917.93583
3330.0000 -177.52322 -170.24043 7.28279 2.60961 -169.76833 834.83533
3335.0000 -175.05987 -167.67582 7.38405 2.66948 -168.72252 878.47964
3340.0000 -177.65200 -168.64097 9.01103 2.71599 -167.91007 890.16953
3345.0000 -177.51729 -169.18995 8.32735 2.62006 -169.58577 833.87161
3350.0000 -175.54144 -166.30594 9.23550 2.76052 -167.13235 965.66727
3355.0000 -174.50757 -165.92349 8.58407 2.83306 -165.86530 991.61601
3360.0000 -174.99818 -166.39607 8.60211 2.84585 -165.64197 1007.31505
3365.0000 -174.92632 -166.01733 8.90899 2.82762 -165.96035 985.83911
3370.0000 -176.50338 -167.67796 8.82541 2.73725 -167.53872 925.74519
3375.0000 -178.03419 -168.56539 9.46879 2.66489 -168.80274 906.74948
3380.0000 -175.58281 -165.69392 9.88890 2.76556 -167.04433 936.00152
3385.0000 -174.55290 -165.06024 9.49266 2.86367 -165.33068 991.55445
3390.0000 -174.95941 -165.82606 9.13335 2.80897 -166.28604 938.71802
3395.0000 -175.84081 -166.70709 9.13372 2.77499 -166.87956 967.82514
3400.0000 -177.50442 -170.09877 7.40565 2.73577 -167.56457 906.80408
3405.0000 -175.64892 -167.74074 7.90818 2.64756 -169.10538 872.41242
3410.0000 -174.93634 -167.60987 7.32647 2.69471 -168.28183 922.32826
3415.0000 -176.41780 -168.62881 7.78899 2.69505 -168.27597 915.77723
3420.0000 -173.70169 -165.73471 7.96699 2.71671 -167.89748 910.42502
3425.0000 -176.95804 -166.47791 10.48014 2.83828 -165.77417 963.99796
3430.0000 -177.13184 -168.86590 8.26593 2.72337 -167.78124 899.46525
3435.0000 -174.90977 -167.13101 7.77876 2.71203 -167.97927 900.56924
3440.0000 -177.35937 -169.73332 7.62605 2.76266 -167.09503 948.28950
3445.0000 -177.70065 -168.07006 9.63059 2.68930 -168.37641 904.47703
3450.0000 -176.98529 -169.12622 7.85907 2.72314 -167.78524 913.12170
3455.0000 -176.66094 -168.21366 8.44728 2.68281 -168.48960 869.64965
3460.0000 -176.65162 -168.08873 8.56290 2.70967 -168.02046 897.18875
3465.0000 -176.96211 -169.33257 7.62954 2.70559 -168.09187 885.74880
3470.0000 -176.83511 -168.40519 8.42992 2.62896 -169.43030 868.52772
3475.0000 -175.42949 -166.82799 8.60150 2.74639 -167.37918 918.23055
3480.0000 -175.35534 -165.94423 9.41110 2.83171 -165.88889 979.95660
3485.0000 -176.35636 -168.06182 8.29454 2.75270 -167.26888 949.30369
3490.0000 -177.17547 -167.98433 9.19114 2.71148 -167.98897 911.79741
3495.0000 -177.46950 -168.64985 8.81965 2.68852 -168.39000 906.09974
3500.0000 -176.45355 -167.70203 8.75152 2.70095 -168.17288 883.83819
FREEZING PROCESS: loop number 15 T-loop= 918.00000000000000
main_MD> interactions number 15 at Temperature= 918.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89154 -3.87207 3.05861
force_rgl> df(natom) 1.82903 -1.49946 -3.80767
3505.0000 -176.26716 -166.45795 9.80922 2.75207 -167.28001 943.48437
3510.0000 -177.35775 -167.78584 9.57191 2.78998 -166.61774 977.07969
3515.0000 -174.10816 -165.78021 8.32795 2.75952 -167.14973 931.37814
3520.0000 -175.91527 -167.35386 8.56141 2.80882 -166.28861 1011.70079
3525.0000 -175.26556 -167.63037 7.63519 2.72384 -167.77303 922.71304
3530.0000 -176.70385 -166.24197 10.46188 2.74020 -167.48731 899.96790
3535.0000 -177.33100 -169.52719 7.80381 2.74469 -167.40884 942.90527
3540.0000 -174.55827 -167.20709 7.35117 2.67969 -168.54420 874.02496
3545.0000 -176.85177 -166.43184 10.41993 2.76780 -167.00526 957.77718
3550.0000 -175.08749 -165.21574 9.87175 2.82426 -166.01905 964.99605
3555.0000 -174.95157 -166.51425 8.43731 2.85574 -165.46923 1008.69435
3560.0000 -175.95146 -167.77559 8.17587 2.73214 -167.62808 937.38681
3565.0000 -176.00394 -166.74833 9.25561 2.72805 -167.69941 911.77063
3570.0000 -176.60345 -167.77623 8.82722 2.74526 -167.39883 915.52105
3575.0000 -174.02447 -165.16639 8.85808 2.78943 -166.62735 941.19480
3580.0000 -176.33534 -167.60119 8.73415 2.75998 -167.14176 903.52438
3585.0000 -174.22114 -165.73112 8.49002 2.81398 -166.19850 969.54867
3590.0000 -177.22229 -168.59256 8.62973 2.79760 -166.48472 977.95956
3595.0000 -177.47978 -169.60830 7.87147 2.70043 -168.18184 906.71213
3600.0000 -176.94573 -168.70343 8.24230 2.65624 -168.95377 859.91543
3605.0000 -173.68858 -164.98461 8.70398 2.77031 -166.96134 947.55206
3610.0000 -175.31161 -164.77835 10.53326 2.87018 -165.21699 1054.79603
3615.0000 -172.01224 -163.97515 8.03709 2.92127 -164.32450 1077.70612
3620.0000 -173.91113 -164.89600 9.01513 2.86719 -165.26907 986.19914
3625.0000 -176.78569 -168.07285 8.71284 2.81647 -166.15501 960.31902
3630.0000 -175.55685 -167.43983 8.11702 2.71122 -167.99339 884.32008
3635.0000 -177.01946 -168.55724 8.46222 2.65923 -168.90154 878.58105
3640.0000 -176.32109 -167.06128 9.25981 2.71821 -167.87136 933.91015
3645.0000 -174.90023 -167.14328 7.75695 2.78559 -166.69444 950.38210
3650.0000 -175.36165 -166.36852 8.99314 2.79197 -166.58308 944.95746
3655.0000 -177.63159 -167.60370 10.02788 2.79435 -166.54146 967.55058
3660.0000 -177.02914 -167.31262 9.71652 2.68857 -168.38911 911.45500
3665.0000 -175.99073 -167.47177 8.51896 2.72961 -167.67222 928.96107
3670.0000 -176.15098 -166.50442 9.64656 2.77872 -166.81438 974.64054
3675.0000 -177.32329 -167.86587 9.45742 2.75494 -167.22983 971.10790
3680.0000 -175.78721 -167.81127 7.97594 2.67002 -168.71316 874.59562
3685.0000 -177.26185 -168.44270 8.81914 2.63894 -169.25594 858.09787
3690.0000 -176.97920 -169.33582 7.64338 2.67976 -168.54294 916.18497
3695.0000 -175.32698 -166.16836 9.15862 2.70655 -168.07508 887.92099
3700.0000 -175.07341 -165.10793 9.96548 2.86078 -165.38113 1009.63687
3705.0000 -175.32059 -166.69905 8.62155 2.83852 -165.76995 997.26043
3710.0000 -176.22215 -167.19060 9.03155 2.73680 -167.54669 936.77535
3715.0000 -176.63335 -166.71142 9.92193 2.77605 -166.86101 947.31377
3720.0000 -176.96021 -166.51179 10.44842 2.78696 -166.67052 958.03289
3725.0000 -174.06752 -164.82519 9.24234 2.83172 -165.88877 979.24843
3730.0000 -175.58818 -166.75267 8.83551 2.88965 -164.87690 1025.54288
3735.0000 -173.02200 -164.10643 8.91557 2.83732 -165.79089 1003.92402
3740.0000 -173.58181 -163.58041 10.00140 2.94094 -163.98103 1054.73599
3745.0000 -177.30480 -167.24965 10.05515 2.86633 -165.28425 1016.24357
3750.0000 -177.45053 -168.48451 8.96602 2.66695 -168.76673 900.79099
FREEZING PROCESS: loop number 16 T-loop= 893.00000000000000
main_MD> interactions number 16 at Temperature= 893.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.68588 -0.29398 4.48990
force_rgl> df(natom) -1.59683 4.60281 2.91393
3755.0000 -177.77673 -168.56592 9.21081 2.66476 -168.80494 838.14386
3760.0000 -177.78359 -169.12882 8.65477 2.66504 -168.80009 860.14063
3765.0000 -175.05915 -166.02398 9.03517 2.75524 -167.22452 918.64218
3770.0000 -174.62176 -165.08134 9.54042 2.85406 -165.49847 989.88291
3775.0000 -175.30827 -165.82168 9.48660 2.84276 -165.69588 981.49673
3780.0000 -176.39222 -167.55926 8.83297 2.82676 -165.97539 985.98933
3785.0000 -178.53623 -170.39421 8.14202 2.63581 -169.31063 863.35323
3790.0000 -177.39953 -169.74179 7.65774 2.59647 -169.99783 836.13760
3795.0000 -177.07981 -167.70665 9.37316 2.73283 -167.61607 933.90019
3800.0000 -177.24338 -168.25915 8.98423 2.71879 -167.86116 922.64720
3805.0000 -178.04841 -169.11789 8.93052 2.73664 -167.54946 920.73381
3810.0000 -177.62354 -168.16877 9.45477 2.68656 -168.42426 865.89567
3815.0000 -178.32046 -169.94532 8.37514 2.63799 -169.27261 845.93949
3820.0000 -177.01184 -168.89696 8.11488 2.69480 -168.28032 920.49758
3825.0000 -175.73380 -166.64477 9.08903 2.70581 -168.08802 908.54883
3830.0000 -176.91792 -168.67849 8.23943 2.72257 -167.79518 927.12459
3835.0000 -178.66947 -169.80942 8.86004 2.65745 -168.93267 877.54232
3840.0000 -177.74599 -169.60332 8.14268 2.61655 -169.64711 860.88948
3845.0000 -176.92399 -167.92736 8.99663 2.66884 -168.73375 869.12192
3850.0000 -176.37313 -168.41667 7.95646 2.64543 -169.14261 873.66927
3855.0000 -179.39083 -170.89479 8.49604 2.58615 -170.17807 843.17209
3860.0000 -177.15183 -168.43854 8.71328 2.60560 -169.83831 839.95532
3865.0000 -177.45623 -168.35450 9.10173 2.71126 -167.99273 889.02266
3870.0000 -177.67629 -169.78696 7.88933 2.65301 -169.01021 853.43414
3875.0000 -179.35230 -170.96076 8.39154 2.59231 -170.07053 832.38029
3880.0000 -176.40942 -167.57467 8.83474 2.65154 -169.03584 875.66386
3885.0000 -176.16719 -167.85889 8.30830 2.74882 -167.33666 935.18037
3890.0000 -176.11739 -166.40765 9.70974 2.80198 -166.40820 963.51793
3895.0000 -177.05381 -167.65223 9.40158 2.75508 -167.22740 958.49527
3900.0000 -178.89138 -170.45742 8.43396 2.65789 -168.92505 881.73226
3905.0000 -178.00638 -169.18176 8.82462 2.64427 -169.16293 881.04949
3910.0000 -178.34658 -169.75467 8.59191 2.67411 -168.64161 894.59487
3915.0000 -178.74128 -171.17871 7.56257 2.59959 -169.94332 830.69977
3920.0000 -176.43477 -168.12016 8.31461 2.63591 -169.30892 843.72611
3925.0000 -175.82321 -166.57693 9.24629 2.75517 -167.22571 939.41296
3930.0000 -176.85936 -167.98490 8.87445 2.74202 -167.45553 927.30479
3935.0000 -175.18595 -166.37872 8.80723 2.71176 -167.98403 906.99117
3940.0000 -178.70266 -170.48737 8.21529 2.74020 -167.48732 917.65271
3945.0000 -177.51935 -169.31767 8.20168 2.61839 -169.61494 841.43012
3950.0000 -177.00465 -168.67921 8.32544 2.63663 -169.29634 841.61142
3955.0000 -176.88752 -167.44827 9.43925 2.72025 -167.83575 919.46076
3960.0000 -177.34637 -169.34338 8.00299 2.64964 -169.06903 852.30990
3965.0000 -177.36935 -167.38546 9.98389 2.71253 -167.97056 922.37561
3970.0000 -176.67181 -167.69968 8.97213 2.73054 -167.65603 944.95216
3975.0000 -177.44827 -167.51772 9.93055 2.72289 -167.78958 917.31242
3980.0000 -178.23132 -170.26329 7.96804 2.65271 -169.01544 885.13670
3985.0000 -177.39897 -169.37926 8.01971 2.56874 -170.48213 807.30810
3990.0000 -176.46092 -167.27942 9.18150 2.70182 -168.15765 906.09440
3995.0000 -176.12935 -166.82520 9.30414 2.78169 -166.76251 957.94686
4000.0000 -176.55412 -169.02308 7.53104 2.69148 -168.33823 907.53922
FREEZING PROCESS: loop number 17 T-loop= 868.00000000000000
main_MD> interactions number 17 at Temperature= 868.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81484 0.77464 -0.18621
force_rgl> df(natom) -0.98400 0.36620 0.11193
4005.0000 -176.09725 -168.03945 8.05780 2.65741 -168.93342 871.03968
4010.0000 -176.38986 -167.71936 8.67050 2.70757 -168.05719 894.01079
4015.0000 -177.31992 -168.37341 8.94652 2.72206 -167.80403 909.58219
4020.0000 -177.12781 -168.36753 8.76029 2.66114 -168.86823 877.04278
4025.0000 -176.91105 -167.47264 9.43841 2.70396 -168.12026 881.16176
4030.0000 -177.70004 -169.69469 8.00534 2.68525 -168.44714 887.37144
4035.0000 -178.31911 -169.87929 8.43983 2.56720 -170.50904 805.09645
4040.0000 -177.71178 -171.08062 6.63115 2.51938 -171.34428 781.43671
4045.0000 -178.60936 -169.87496 8.73440 2.58726 -170.15857 833.46696
4050.0000 -176.85834 -168.70517 8.15316 2.65270 -169.01561 901.11929
4055.0000 -177.59526 -168.12050 9.47475 2.66948 -168.72251 872.16720
4060.0000 -177.14982 -168.87119 8.27862 2.65147 -169.03708 845.15095
4065.0000 -177.17679 -170.14443 7.03236 2.62850 -169.43838 859.84034
4070.0000 -178.07697 -169.76512 8.31185 2.58191 -170.25212 830.21204
4075.0000 -176.52415 -168.54212 7.98203 2.67498 -168.62645 871.90144
4080.0000 -175.75118 -167.87578 7.87539 2.70777 -168.05369 897.40561
4085.0000 -177.57177 -168.67686 8.89491 2.71351 -167.95340 914.43262
4090.0000 -176.18234 -167.45864 8.72371 2.68859 -168.38865 890.91032
4095.0000 -174.83237 -166.84080 7.99157 2.70425 -168.11518 921.90231
4100.0000 -176.48408 -168.75341 7.73066 2.69644 -168.25163 906.65901
4105.0000 -177.66016 -169.34905 8.31110 2.59099 -170.09345 839.03538
4110.0000 -175.04646 -167.28508 7.76138 2.68283 -168.48937 894.75899
4115.0000 -177.04896 -168.93408 8.11487 2.71112 -167.99528 890.23849
4120.0000 -177.31230 -169.02092 8.29137 2.65248 -169.01945 885.04026
4125.0000 -176.97697 -168.31440 8.66257 2.69584 -168.26207 907.37520
4130.0000 -174.26707 -166.69111 7.57596 2.78030 -166.78688 950.44873
4135.0000 -177.33139 -168.87983 8.45155 2.70192 -168.15583 892.16372
4140.0000 -176.30493 -169.91378 6.39115 2.63396 -169.34300 852.73498
4145.0000 -177.90161 -169.82375 8.07785 2.58321 -170.22933 825.00710
4150.0000 -177.86591 -169.67445 8.19146 2.58464 -170.20434 836.82797
4155.0000 -177.39752 -168.93437 8.46314 2.65183 -169.03087 874.96932
4160.0000 -177.24128 -168.84499 8.39628 2.67912 -168.55413 909.40275
4165.0000 -176.96551 -169.16383 7.80167 2.66278 -168.83953 890.77600
4170.0000 -173.87872 -165.01411 8.86461 2.72717 -167.71480 894.07384
4175.0000 -176.57098 -168.80062 7.77036 2.76558 -167.04401 914.37554
4180.0000 -177.60811 -170.78350 6.82461 2.61289 -169.71104 813.67917
4185.0000 -178.78822 -171.12716 7.66106 2.55967 -170.64064 765.57220
4190.0000 -177.57353 -167.87532 9.69821 2.59513 -170.02126 830.66445
4195.0000 -173.92144 -165.67291 8.24854 2.76710 -167.01739 915.78434
4200.0000 -176.39579 -169.10141 7.29438 2.70920 -168.02865 886.64049
4205.0000 -179.50765 -171.15790 8.34975 2.60907 -169.77764 846.87561
4210.0000 -177.28675 -169.30829 7.97846 2.62706 -169.46341 871.56016
4215.0000 -177.44179 -169.90497 7.53682 2.61438 -169.68502 857.06312
4220.0000 -177.06911 -168.89080 8.17831 2.64107 -169.21883 866.40687
4225.0000 -176.43791 -168.09993 8.33798 2.69935 -168.20087 879.62909
4230.0000 -176.84648 -168.69939 8.14710 2.67349 -168.65243 870.57561
4235.0000 -175.53938 -168.89259 6.64679 2.64977 -169.06676 875.39563
4240.0000 -177.54306 -169.17961 8.36345 2.64803 -169.09711 846.67730
4245.0000 -176.84078 -167.76511 9.07567 2.70199 -168.15470 891.78249
4250.0000 -175.46483 -167.68531 7.77953 2.75729 -167.18880 922.84874
FREEZING PROCESS: loop number 18 T-loop= 843.00000000000000
main_MD> interactions number 18 at Temperature= 843.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.92611 1.15918 -1.79538
force_rgl> df(natom) -0.24320 -1.70967 2.05051
4255.0000 -177.87938 -169.93406 7.94532 2.66978 -168.71720 882.73596
4260.0000 -176.58047 -169.50339 7.07707 2.62338 -169.52778 856.75957
4265.0000 -177.57428 -169.85485 7.71942 2.61134 -169.73802 825.19752
4270.0000 -175.50654 -168.79811 6.70843 2.65774 -168.92751 855.18601
4275.0000 -177.05064 -170.09962 6.95102 2.60734 -169.80795 842.61844
4280.0000 -176.46649 -167.47242 8.99407 2.67673 -168.59591 877.19614
4285.0000 -177.62764 -168.78976 8.83788 2.72860 -167.68986 923.40689
4290.0000 -178.79500 -170.00681 8.78819 2.67121 -168.69234 877.46918
4295.0000 -177.99614 -170.85364 7.14250 2.60161 -169.90792 847.77540
4300.0000 -176.49747 -169.87243 6.62505 2.57675 -170.34226 804.69681
4305.0000 -177.45097 -169.46911 7.98186 2.64041 -169.23031 850.62467
4310.0000 -175.91195 -167.91241 7.99954 2.64211 -169.20059 871.12768
4315.0000 -177.97854 -169.71107 8.26747 2.69682 -168.24489 891.94571
4320.0000 -176.30729 -168.73406 7.57323 2.61782 -169.62479 823.44337
4325.0000 -178.00602 -168.85764 9.14838 2.66807 -168.74722 870.38191
4330.0000 -178.44201 -170.91801 7.52400 2.59107 -170.09202 856.34626
4335.0000 -177.40604 -170.10706 7.29898 2.57884 -170.30575 834.99699
4340.0000 -178.62231 -169.68551 8.93680 2.63512 -169.32264 851.35765
4345.0000 -178.18443 -170.99284 7.19159 2.58530 -170.19293 829.44563
4350.0000 -176.78814 -168.36244 8.42569 2.65790 -168.92482 878.28379
4355.0000 -175.37316 -168.55360 6.81956 2.64479 -169.15374 869.55930
4360.0000 -177.56926 -169.55226 8.01701 2.64277 -169.18901 863.97436
4365.0000 -179.34099 -170.77896 8.56203 2.56520 -170.54393 827.00846
4370.0000 -178.39050 -170.10606 8.28444 2.57272 -170.41259 830.47867
4375.0000 -176.40074 -169.19864 7.20210 2.65131 -169.03992 841.12562
4380.0000 -177.78207 -170.43670 7.34536 2.59181 -170.07911 807.15943
4385.0000 -177.01536 -169.26391 7.75145 2.60002 -169.93585 849.62584
4390.0000 -177.05415 -169.24336 7.81079 2.58938 -170.12170 822.85756
4395.0000 -175.57457 -166.42156 9.15301 2.72422 -167.76646 912.93310
4400.0000 -178.20679 -169.94186 8.26493 2.64450 -169.15889 851.04405
4405.0000 -178.23971 -170.67893 7.56078 2.59901 -169.95347 819.68459
4410.0000 -177.11014 -169.39516 7.71497 2.57591 -170.35684 819.79506
4415.0000 -176.87845 -170.02491 6.85354 2.59605 -170.00503 860.20293
4420.0000 -179.26516 -171.15030 8.11486 2.56194 -170.60087 832.34597
4425.0000 -177.69107 -169.78444 7.90663 2.52926 -171.17167 793.27291
4430.0000 -177.84011 -169.93537 7.90474 2.60674 -169.81843 835.41457
4435.0000 -177.91938 -169.08354 8.83584 2.60563 -169.83780 850.78258
4440.0000 -176.89515 -168.40046 8.49469 2.73004 -167.66476 947.86531
4445.0000 -178.48338 -169.88959 8.59379 2.64137 -169.21348 855.78726
4450.0000 -178.31657 -169.38414 8.93243 2.63874 -169.25943 844.58840
4455.0000 -178.41552 -169.31248 9.10304 2.60063 -169.92508 840.91457
4460.0000 -177.90349 -169.81988 8.08361 2.58947 -170.12010 822.99655
4465.0000 -177.86628 -171.13110 6.73518 2.54768 -170.85003 810.44910
4470.0000 -179.18747 -170.67801 8.50946 2.51932 -171.34528 802.98922
4475.0000 -178.32418 -170.02112 8.30306 2.53723 -171.03258 820.81129
4480.0000 -176.35136 -169.06011 7.29125 2.64867 -169.08609 872.84275
4485.0000 -177.64534 -170.95033 6.69501 2.59822 -169.96716 841.33431
4490.0000 -179.97479 -171.90302 8.07177 2.47722 -172.08066 758.48707
4495.0000 -177.74171 -170.75216 6.98956 2.54062 -170.97329 806.00873
4500.0000 -176.67224 -168.22279 8.44945 2.66328 -168.83087 903.70909
FREEZING PROCESS: loop number 19 T-loop= 818.00000000000000
main_MD> interactions number 19 at Temperature= 818.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72790 -0.05345 -0.56371
force_rgl> df(natom) -0.46673 0.06291 -1.26987
4505.0000 -177.94104 -169.88916 8.05189 2.62599 -169.48212 861.39402
4510.0000 -179.42701 -172.51378 6.91323 2.51292 -171.45714 777.66364
4515.0000 -178.40756 -170.66529 7.74227 2.48646 -171.91929 749.01192
4520.0000 -178.74136 -170.63124 8.11012 2.59212 -170.07377 832.02914
4525.0000 -177.98058 -169.13183 8.84875 2.59982 -169.93924 824.49845
4530.0000 -176.00698 -168.61787 7.38911 2.67556 -168.61635 880.84631
4535.0000 -179.26397 -171.52166 7.74231 2.57349 -170.39923 794.64762
4540.0000 -179.35887 -172.20055 7.15832 2.47790 -172.06875 754.64139
4545.0000 -177.58563 -172.03405 5.55158 2.47257 -172.16188 756.96838
4550.0000 -178.70684 -172.16030 6.54655 2.44068 -172.71894 726.57146
4555.0000 -179.44557 -172.24473 7.20084 2.48285 -171.98243 743.45701
4560.0000 -179.43470 -172.48466 6.95004 2.47645 -172.09421 748.99203
4565.0000 -179.03483 -171.56728 7.46755 2.45447 -172.47816 751.93161
4570.0000 -179.30618 -172.44826 6.85792 2.52003 -171.33288 801.94827
4575.0000 -178.07299 -171.69851 6.37448 2.50534 -171.58946 789.59901
4580.0000 -178.21760 -170.05719 8.16041 2.56137 -170.61091 819.14035
4585.0000 -177.60741 -170.13316 7.47425 2.59013 -170.10845 828.52340
4590.0000 -177.81491 -170.18555 7.62936 2.54595 -170.88023 807.47668
4595.0000 -178.46297 -170.63223 7.83073 2.54112 -170.96458 767.09807
4600.0000 -178.07983 -171.19515 6.88468 2.56455 -170.55532 816.09109
4605.0000 -177.64754 -170.77277 6.87477 2.51413 -171.43597 785.84665
4610.0000 -178.49620 -170.53484 7.96136 2.58562 -170.18736 809.32761
4615.0000 -178.88455 -171.09709 7.78746 2.54154 -170.95723 790.21501
4620.0000 -180.07066 -171.83929 8.23137 2.50243 -171.64041 789.74298
4625.0000 -178.95346 -171.49908 7.45438 2.50686 -171.56306 754.51764
4630.0000 -177.07416 -170.00246 7.07170 2.58306 -170.23202 829.41217
4635.0000 -178.72285 -171.75590 6.96695 2.51965 -171.33965 773.90352
4640.0000 -178.33093 -170.78423 7.54670 2.49016 -171.85467 764.95445
4645.0000 -179.06722 -171.80028 7.26694 2.48049 -172.02362 775.74246
4650.0000 -179.68791 -172.55307 7.13483 2.46257 -172.33654 757.83109
4655.0000 -179.40314 -171.51828 7.88485 2.46863 -172.23082 754.63457
4660.0000 -177.92144 -170.47506 7.44639 2.52214 -171.29607 784.83829
4665.0000 -177.40177 -170.45198 6.94979 2.61021 -169.75774 856.65814
4670.0000 -177.29901 -169.64423 7.65478 2.58939 -170.12138 825.09992
4675.0000 -178.40348 -171.31084 7.09264 2.57210 -170.42353 815.53038
4680.0000 -178.82438 -170.98062 7.84376 2.56271 -170.58751 807.38407
4685.0000 -177.99074 -170.71733 7.27341 2.55877 -170.65630 822.42476
4690.0000 -178.57732 -170.61687 7.96045 2.53581 -171.05735 772.04874
4695.0000 -178.22523 -170.05820 8.16703 2.51348 -171.44737 768.02056
4700.0000 -177.68327 -170.87288 6.81039 2.57557 -170.36292 795.24469
4705.0000 -176.47376 -168.70595 7.76781 2.62116 -169.56661 861.52759
4710.0000 -177.06640 -168.39711 8.66930 2.72823 -167.69631 897.56174
4715.0000 -177.80510 -168.66358 9.14152 2.67201 -168.67829 872.50957
4720.0000 -178.16763 -169.40534 8.76228 2.59754 -169.97901 873.92901
4725.0000 -179.27009 -171.50651 7.76359 2.56502 -170.54720 842.75419
4730.0000 -179.31669 -170.80492 8.51177 2.53313 -171.10414 799.36770
4735.0000 -179.06907 -171.40182 7.66724 2.54050 -170.97539 805.33467
4740.0000 -178.20735 -170.22088 7.98648 2.54684 -170.86466 812.24366
4745.0000 -177.79997 -169.98373 7.81625 2.58426 -170.21097 835.51818
4750.0000 -178.95835 -171.07084 7.88751 2.57926 -170.29843 808.26276
FREEZING PROCESS: loop number 20 T-loop= 793.00000000000000
main_MD> interactions number 20 at Temperature= 793.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00358 1.06097 -0.36629
force_rgl> df(natom) -1.36637 -0.47832 -3.00508
4755.0000 -178.11180 -170.30395 7.80785 2.54997 -170.81008 807.81407
4760.0000 -177.81229 -171.02268 6.78962 2.53252 -171.11478 810.08374
4765.0000 -178.06432 -171.19565 6.86867 2.55512 -170.72005 795.10426
4770.0000 -179.65348 -172.16472 7.48876 2.47340 -172.14742 758.50481
4775.0000 -179.01793 -172.49586 6.52207 2.51580 -171.40680 763.47169
4780.0000 -178.78451 -170.68321 8.10130 2.53176 -171.12801 773.98576
4785.0000 -179.24129 -171.73738 7.50391 2.51526 -171.41626 783.63124
4790.0000 -179.11937 -171.95270 7.16668 2.46274 -172.33361 740.05410
4795.0000 -179.13978 -172.74481 6.39496 2.44794 -172.59219 750.45317
4800.0000 -178.63211 -170.60318 8.02893 2.53391 -171.09044 801.80903
4805.0000 -178.75274 -171.91293 6.83982 2.45176 -172.52547 741.00292
4810.0000 -179.02032 -171.52182 7.49850 2.53737 -171.03003 797.32299
4815.0000 -179.05784 -170.89963 8.15821 2.51385 -171.44091 803.88332
4820.0000 -178.26710 -171.17984 7.08727 2.55687 -170.68946 814.85935
4825.0000 -178.07225 -169.84815 8.22410 2.56434 -170.55900 807.99335
4830.0000 -179.87837 -172.15833 7.72004 2.51273 -171.46038 772.12623
4835.0000 -178.71906 -171.27834 7.44073 2.45961 -172.38828 746.56386
4840.0000 -179.34069 -172.38151 6.95918 2.45390 -172.48798 735.46517
4845.0000 -178.63221 -171.71673 6.91548 2.45010 -172.55445 721.48065
4850.0000 -176.71583 -170.27879 6.43704 2.55013 -170.80711 815.40287
4855.0000 -179.74454 -172.07086 7.67367 2.53591 -171.05554 773.70938
4860.0000 -180.07792 -172.76781 7.31011 2.47840 -172.06002 744.22458
4865.0000 -178.31631 -170.83432 7.48199 2.49966 -171.68877 781.92984
4870.0000 -178.94713 -171.70739 7.23974 2.53563 -171.06048 805.86761
4875.0000 -179.05731 -171.86191 7.19540 2.49652 -171.74367 796.91397
4880.0000 -178.34419 -169.83886 8.50534 2.55136 -170.78572 802.87829
4885.0000 -179.31144 -171.31281 7.99863 2.54446 -170.90621 798.12048
4890.0000 -178.55797 -170.81804 7.73993 2.54279 -170.93534 800.99463
4895.0000 -177.82285 -171.38395 6.43890 2.53298 -171.10680 782.73474
4900.0000 -178.75221 -172.15554 6.59668 2.49235 -171.81645 749.92801
4905.0000 -179.59604 -172.06520 7.53084 2.47149 -172.18080 749.33724
4910.0000 -179.05235 -171.24226 7.81009 2.50528 -171.59062 788.19658
4915.0000 -179.22627 -170.62619 8.60008 2.54900 -170.82699 812.69092
4920.0000 -177.93376 -170.07987 7.85389 2.58440 -170.20856 832.62035
4925.0000 -176.49645 -169.00384 7.49261 2.64757 -169.10526 874.67156
4930.0000 -178.78954 -169.67103 9.11851 2.60654 -169.82189 863.52684
4935.0000 -179.20936 -170.60180 8.60755 2.57373 -170.39498 836.66797
4940.0000 -178.47336 -171.73937 6.73399 2.56033 -170.62910 827.29728
4945.0000 -178.67602 -170.25696 8.41906 2.50748 -171.55209 807.33239
4950.0000 -179.04580 -171.45558 7.59021 2.53848 -171.01073 812.31345
4955.0000 -178.41840 -171.04662 7.37178 2.54432 -170.90865 781.94544
4960.0000 -178.89086 -172.18079 6.71007 2.57189 -170.42713 816.46577
4965.0000 -179.46342 -170.88705 8.57637 2.51516 -171.41797 778.78573
4970.0000 -179.41901 -171.89939 7.51963 2.50743 -171.55295 791.25519
4975.0000 -179.25293 -170.98125 8.27168 2.49916 -171.69749 767.25697
4980.0000 -177.83598 -170.92325 6.91273 2.56541 -170.54028 786.10344
4985.0000 -178.64461 -171.77015 6.87446 2.55182 -170.77770 811.23517
4990.0000 -179.73184 -173.03862 6.69322 2.46197 -172.34712 753.46193
4995.0000 -179.24361 -171.67118 7.57244 2.45328 -172.49883 750.86157
5000.0000 -177.40699 -168.26359 9.14341 2.58496 -170.19883 829.10157
FREEZING PROCESS: loop number 21 T-loop= 768.00000000000000
main_MD> interactions number 21 at Temperature= 768.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.43536 -0.38781 0.65664
force_rgl> df(natom) -0.02380 0.28817 3.68018
5005.0000 -177.21432 -170.83832 6.37600 2.62613 -169.47978 838.61808
5010.0000 -178.24188 -170.72301 7.51887 2.55249 -170.76594 826.34442
5015.0000 -178.61828 -171.79386 6.82442 2.48318 -171.97656 767.10213
5020.0000 -179.72320 -171.77073 7.95247 2.46583 -172.27970 751.26585
5025.0000 -180.88413 -172.15567 8.72846 2.44262 -172.68511 736.29895
5030.0000 -178.86035 -172.40893 6.45142 2.47724 -172.08040 744.42207
5035.0000 -179.52133 -172.39146 7.12987 2.48232 -171.99163 748.59779
5040.0000 -179.63196 -172.13548 7.49649 2.45969 -172.38697 738.10360
5045.0000 -179.75774 -172.07259 7.68515 2.46757 -172.24926 753.46903
5050.0000 -180.57334 -172.62814 7.94520 2.45378 -172.49009 756.94527
5055.0000 -178.76456 -170.68825 8.07631 2.53285 -171.10910 801.49589
5060.0000 -178.89266 -172.65032 6.24234 2.48085 -172.01734 774.31433
5065.0000 -179.11532 -171.74793 7.36739 2.48131 -172.00930 753.80809
5070.0000 -178.02662 -170.65669 7.36993 2.50726 -171.55608 802.76307
5075.0000 -179.31490 -171.66880 7.64611 2.50730 -171.55529 786.14345
5080.0000 -179.61966 -171.92098 7.69868 2.46914 -172.22184 749.15163
5085.0000 -178.30258 -171.29203 7.01055 2.50150 -171.65669 761.66864
5090.0000 -179.03896 -172.59436 6.44460 2.47261 -172.16123 741.75150
5095.0000 -179.63039 -171.49786 8.13254 2.53387 -171.09125 811.12914
5100.0000 -180.91867 -174.46989 6.44878 2.41667 -173.13831 727.34767
5105.0000 -180.12658 -173.17008 6.95650 2.37929 -173.79122 705.08384
5110.0000 -179.53699 -172.73427 6.80272 2.42044 -173.07239 718.73280
5115.0000 -179.63898 -171.94513 7.69384 2.45440 -172.47930 723.99307
5120.0000 -178.75470 -172.18598 6.56872 2.42318 -173.02463 724.65055
5125.0000 -179.89297 -172.06535 7.82761 2.44360 -172.66794 731.97165
5130.0000 -180.39913 -172.21612 8.18301 2.43817 -172.76284 741.70590
5135.0000 -179.42071 -171.55908 7.86163 2.47930 -172.04431 796.21796
5140.0000 -178.98010 -170.77678 8.20332 2.53714 -171.03411 785.66258
5145.0000 -177.73478 -170.33974 7.39504 2.57708 -170.33647 830.65527
5150.0000 -180.19755 -173.76680 6.43075 2.47654 -172.09265 771.86393
5155.0000 -180.32965 -173.15988 7.16977 2.43121 -172.88438 721.17143
5160.0000 -179.95256 -172.53613 7.41644 2.45308 -172.50234 743.35197
5165.0000 -179.64559 -171.89132 7.75427 2.46495 -172.29498 770.77329
5170.0000 -178.91282 -170.64261 8.27022 2.50672 -171.56540 785.31447
5175.0000 -178.68793 -171.74088 6.94705 2.51850 -171.35964 802.19194
5180.0000 -178.66253 -171.87244 6.79009 2.48391 -171.96381 772.84520
5185.0000 -179.79956 -171.60885 8.19071 2.45545 -172.46092 742.54563
5190.0000 -178.51599 -172.28200 6.23399 2.47562 -172.10858 760.75097
5195.0000 -178.93935 -173.09009 5.84925 2.45165 -172.52731 737.00812
5200.0000 -179.98539 -172.49369 7.49170 2.40446 -173.35152 681.11748
5205.0000 -179.08088 -172.10701 6.97387 2.44629 -172.62090 741.28740
5210.0000 -178.72867 -172.71986 6.00881 2.46529 -172.28917 756.29011
5215.0000 -179.31093 -172.51233 6.79860 2.43290 -172.85489 723.28660
5220.0000 -180.01667 -173.30881 6.70786 2.48347 -171.97150 764.17477
5225.0000 -178.67668 -171.13845 7.53823 2.49280 -171.80851 743.37991
5230.0000 -179.13546 -170.83938 8.29608 2.56312 -170.58024 807.44664
5235.0000 -179.40834 -172.14008 7.26826 2.50425 -171.60864 783.65680
5240.0000 -178.20440 -170.36723 7.83716 2.54132 -170.96100 830.33233
5245.0000 -179.35064 -172.07381 7.27683 2.54037 -170.97775 822.89612
5250.0000 -178.87029 -171.23397 7.63633 2.50374 -171.61746 766.11494
FREEZING PROCESS: loop number 22 T-loop= 743.00000000000000
main_MD> interactions number 22 at Temperature= 743.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.73742 -2.00392 3.84531
force_rgl> df(natom) 2.76874 -1.86598 -0.44500
5255.0000 -178.57570 -170.48837 8.08734 2.55156 -170.78220 801.28851
5260.0000 -177.85954 -170.11876 7.74078 2.51873 -171.35567 781.99026
5265.0000 -180.28927 -173.35225 6.93702 2.51768 -171.37403 802.84097
5270.0000 -179.02166 -171.04632 7.97534 2.52911 -171.17436 786.79243
5275.0000 -179.48566 -170.90741 8.57825 2.51330 -171.45044 802.03037
5280.0000 -179.28730 -172.03523 7.25208 2.50423 -171.60892 782.62835
5285.0000 -179.59647 -173.24619 6.35028 2.44039 -172.72406 729.42550
5290.0000 -178.74023 -172.22823 6.51200 2.40552 -173.33316 738.82116
5295.0000 -179.59569 -172.69091 6.90479 2.47486 -172.12197 759.13546
5300.0000 -180.89300 -173.80815 7.08485 2.41142 -173.22996 712.88178
5305.0000 -178.11044 -172.25378 5.85667 2.43456 -172.82577 727.31652
5310.0000 -179.40433 -172.58271 6.82163 2.46088 -172.36609 746.73670
5315.0000 -181.23411 -174.25168 6.98244 2.44016 -172.72800 728.33273
5320.0000 -178.83868 -171.93707 6.90161 2.48456 -171.95257 804.34674
5325.0000 -178.86108 -172.57566 6.28542 2.49888 -171.70230 762.92752
5330.0000 -178.75133 -172.28843 6.46291 2.49812 -171.71562 764.14667
5335.0000 -178.90222 -171.19859 7.70363 2.45979 -172.38508 734.48810
5340.0000 -178.88473 -171.40160 7.48314 2.52189 -171.30047 751.73400
5345.0000 -179.05562 -170.15534 8.90028 2.58122 -170.26412 818.31943
5350.0000 -179.75529 -172.42764 7.32765 2.50988 -171.51027 772.50612
5355.0000 -178.00612 -172.11696 5.88916 2.48119 -172.01145 752.90596
5360.0000 -179.29561 -172.15556 7.14006 2.44873 -172.57840 715.33150
5365.0000 -179.16344 -171.84495 7.31850 2.50583 -171.58097 790.27809
5370.0000 -178.75446 -171.58191 7.17256 2.46386 -172.31415 757.84568
5375.0000 -178.19137 -171.73760 6.45378 2.52223 -171.29455 792.36618
5380.0000 -178.18170 -171.47102 6.71068 2.48083 -172.01758 725.19858
5385.0000 -178.74433 -171.96907 6.77526 2.48973 -171.86213 767.90582
5390.0000 -179.06661 -172.23159 6.83502 2.48963 -171.86390 768.79530
5395.0000 -180.52579 -173.69707 6.82872 2.44144 -172.70563 727.40376
5400.0000 -180.10659 -174.29546 5.81113 2.38416 -173.70609 675.31816
5405.0000 -180.87901 -173.84870 7.03031 2.39911 -173.44501 726.05444
5410.0000 -181.52402 -174.34570 7.17832 2.31664 -174.88551 669.59571
5415.0000 -179.31593 -172.74794 6.56799 2.40947 -173.26411 679.75756
5420.0000 -177.96729 -171.68482 6.28247 2.43002 -172.90521 730.85154
5425.0000 -178.91563 -172.30946 6.60617 2.49272 -171.80995 781.28304
5430.0000 -178.98799 -172.08253 6.90546 2.44784 -172.59386 735.55242
5435.0000 -179.81226 -172.44032 7.37194 2.44403 -172.66038 750.66031
5440.0000 -179.03392 -172.29516 6.73876 2.44330 -172.67323 731.60641
5445.0000 -180.48520 -173.07493 7.41027 2.44940 -172.56668 754.44067
5450.0000 -180.04211 -173.27160 6.77050 2.41825 -173.11080 748.52993
5455.0000 -180.06382 -173.04402 7.01980 2.46282 -172.33219 763.97805
5460.0000 -179.06319 -172.64927 6.41392 2.46014 -172.37910 746.94904
5465.0000 -180.49096 -173.91608 6.57488 2.38866 -173.62766 698.55367
5470.0000 -178.08928 -171.46213 6.62714 2.47114 -172.18690 743.43844
5475.0000 -179.00463 -172.04006 6.96458 2.47741 -172.07738 743.17266
5480.0000 -178.19485 -171.13484 7.06000 2.44815 -172.58841 750.11047
5485.0000 -178.40055 -169.80858 8.59197 2.55412 -170.73749 779.56474
5490.0000 -178.88585 -171.81511 7.07074 2.54969 -170.81495 810.09474
5495.0000 -178.24991 -171.21308 7.03683 2.52911 -171.17427 789.10179
5500.0000 -180.24830 -173.28226 6.96604 2.45588 -172.45341 756.94352
FREEZING PROCESS: loop number 23 T-loop= 718.00000000000000
main_MD> interactions number 23 at Temperature= 718.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.30903 -2.58780 -0.01311
force_rgl> df(natom) -4.90529 1.64795 -1.12765
5505.0000 -179.58711 -172.79941 6.78770 2.43379 -172.83921 741.16382
5510.0000 -180.63749 -173.54734 7.09015 2.41505 -173.16663 713.09969
5515.0000 -179.42593 -172.57783 6.84811 2.40901 -173.27211 699.74776
5520.0000 -177.77059 -170.81350 6.95709 2.47124 -172.18519 746.47875
5525.0000 -179.22036 -171.50977 7.71059 2.51589 -171.40520 756.22696
5530.0000 -180.88631 -173.13246 7.75385 2.50432 -171.60734 788.68903
5535.0000 -179.52979 -172.80879 6.72100 2.43657 -172.79080 737.05121
5540.0000 -178.84362 -171.49936 7.34426 2.46759 -172.24883 761.02746
5545.0000 -179.40762 -172.98619 6.42143 2.49121 -171.83626 788.70156
5550.0000 -180.72722 -174.36514 6.36208 2.40925 -173.26784 719.97722
5555.0000 -179.03627 -172.15835 6.87792 2.37866 -173.80230 682.38881
5560.0000 -180.22365 -173.88638 6.33727 2.41243 -173.21242 720.22727
5565.0000 -181.40961 -175.35069 6.05893 2.32260 -174.78136 660.74504
5570.0000 -180.56976 -173.87987 6.68989 2.33630 -174.54212 663.69632
5575.0000 -180.27271 -173.16839 7.10432 2.36421 -174.05468 694.15640
5580.0000 -180.42887 -173.73261 6.69626 2.41113 -173.23513 720.16635
5585.0000 -180.13443 -174.19666 5.93777 2.36311 -174.07383 665.66208
5590.0000 -180.20393 -175.24668 4.95725 2.32851 -174.67823 655.64433
5595.0000 -180.62349 -175.23306 5.39043 2.30153 -175.14937 643.47844
5600.0000 -180.93879 -174.22923 6.70956 2.31127 -174.97936 650.27015
5605.0000 -179.37392 -171.60830 7.76562 2.41474 -173.17202 712.81544
5610.0000 -179.47892 -171.42955 8.04937 2.48939 -171.86808 770.49663
5615.0000 -179.10594 -172.12903 6.97691 2.45397 -172.48673 725.59886
5620.0000 -179.23579 -172.89283 6.34296 2.46581 -172.28007 705.73384
5625.0000 -178.75272 -172.32051 6.43221 2.45802 -172.41615 694.28437
5630.0000 -180.10040 -172.24636 7.85404 2.47340 -172.14743 740.28089
5635.0000 -180.43829 -174.02477 6.41352 2.39552 -173.50781 699.06864
5640.0000 -180.54531 -174.02815 6.51716 2.38301 -173.72632 700.93720
5645.0000 -179.24427 -172.47456 6.76971 2.40720 -173.30377 725.06778
5650.0000 -180.74106 -173.92687 6.81419 2.41162 -173.22655 729.93902
5655.0000 -179.30016 -172.97554 6.32462 2.38304 -173.72578 705.62860
5660.0000 -179.57693 -171.13923 8.43771 2.48678 -171.91365 726.94231
5665.0000 -178.46479 -171.07948 7.38531 2.54947 -170.81872 813.88360
5670.0000 -179.80698 -173.06669 6.74029 2.44654 -172.61660 725.34947
5675.0000 -177.90766 -171.08556 6.82210 2.49994 -171.68379 753.35824
5680.0000 -179.26336 -171.91786 7.34549 2.51185 -171.47583 792.63105
5685.0000 -179.99225 -173.44559 6.54666 2.45462 -172.47547 733.14779
5690.0000 -179.89458 -172.32891 7.56567 2.45249 -172.51267 732.87471
5695.0000 -180.07710 -173.34525 6.73185 2.41074 -173.24194 704.46565
5700.0000 -180.81874 -173.83066 6.98808 2.39486 -173.51921 692.79089
5705.0000 -180.17912 -173.08925 7.08987 2.40448 -173.35127 705.06184
5710.0000 -180.43011 -172.76032 7.66979 2.45210 -172.51939 748.89145
5715.0000 -179.38729 -171.24691 8.14038 2.48451 -171.95334 738.07217
5720.0000 -180.26703 -173.57002 6.69701 2.44624 -172.62182 715.74220
5725.0000 -180.34116 -173.49698 6.84418 2.37269 -173.90645 682.87529
5730.0000 -179.12301 -172.82548 6.29753 2.34742 -174.34794 675.04433
5735.0000 -179.00512 -172.43646 6.56865 2.47862 -172.05630 765.98981
5740.0000 -178.59825 -171.99769 6.60056 2.46707 -172.25796 729.60936
5745.0000 -180.31014 -173.21250 7.09764 2.46155 -172.35447 750.40973
5750.0000 -179.77914 -173.73822 6.04092 2.42559 -172.98257 722.14874
FREEZING PROCESS: loop number 24 T-loop= 693.00000000000000
main_MD> interactions number 24 at Temperature= 693.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.37888 -0.18812 -1.20618
force_rgl> df(natom) -3.92531 -0.13901 0.60870
5755.0000 -180.56700 -173.95893 6.60807 2.35924 -174.14139 677.68931
5760.0000 -181.50587 -175.43536 6.07051 2.32326 -174.76997 650.97480
5765.0000 -181.10964 -174.08631 7.02333 2.31548 -174.90574 648.30523
5770.0000 -180.41478 -174.41862 5.99616 2.33568 -174.55300 664.44067
5775.0000 -179.81441 -174.69364 5.12078 2.35345 -174.24259 645.87703
5780.0000 -180.37194 -174.45351 5.91844 2.36009 -174.12668 669.56760
5785.0000 -180.49357 -173.98385 6.50972 2.35955 -174.13608 673.62175
5790.0000 -181.26342 -175.05531 6.20811 2.32945 -174.66174 646.00952
5795.0000 -180.30122 -174.21466 6.08656 2.31985 -174.82953 643.58001
5800.0000 -179.95253 -172.80557 7.14696 2.42885 -172.92560 729.47949
5805.0000 -179.39152 -173.08135 6.31017 2.36433 -174.05262 667.60500
5810.0000 -181.00696 -174.39905 6.60792 2.38708 -173.65509 694.20679
5815.0000 -181.98476 -175.66571 6.31905 2.28226 -175.48603 652.87631
5820.0000 -181.81525 -174.75371 7.06154 2.31378 -174.93557 662.52747
5825.0000 -180.41305 -173.30484 7.10821 2.34992 -174.30415 679.05253
5830.0000 -179.48192 -172.49073 6.99119 2.41287 -173.20469 727.80296
5835.0000 -179.63766 -173.08449 6.55317 2.37372 -173.88853 699.88010
5840.0000 -180.96729 -175.02810 5.93919 2.38679 -173.66020 703.10709
5845.0000 -180.96010 -175.05680 5.90330 2.31395 -174.93253 662.39091
5850.0000 -180.13293 -172.75498 7.37795 2.36822 -173.98452 693.25656
5855.0000 -180.44939 -172.72027 7.72913 2.42568 -172.98100 745.54808
5860.0000 -180.35945 -172.55124 7.80820 2.42794 -172.94144 721.58406
5865.0000 -180.43755 -174.56313 5.87442 2.39196 -173.56999 695.79995
5870.0000 -179.12299 -172.90234 6.22065 2.37835 -173.80769 678.57416
5875.0000 -179.36877 -172.98262 6.38615 2.46031 -172.37609 735.35857
5880.0000 -180.06726 -173.74522 6.32204 2.38624 -173.66978 677.08498
5885.0000 -179.63093 -173.58448 6.04646 2.38637 -173.66763 673.90563
5890.0000 -181.95861 -174.09902 7.85959 2.38125 -173.75707 696.63078
5895.0000 -180.11202 -174.28877 5.82325 2.32653 -174.71279 664.64410
5900.0000 -180.50184 -173.91473 6.58711 2.33424 -174.57820 661.96282
5905.0000 -181.00502 -174.62643 6.37858 2.35300 -174.25035 684.17959
5910.0000 -180.29089 -174.55950 5.73138 2.33468 -174.57037 663.48482
5915.0000 -179.40850 -173.39792 6.01057 2.38360 -173.71600 709.29500
5920.0000 -179.46797 -173.02899 6.43899 2.44257 -172.68588 737.73556
5925.0000 -180.55953 -173.99951 6.56002 2.40313 -173.37488 733.15116
5930.0000 -181.32609 -174.19182 7.13427 2.34393 -174.40879 686.12867
5935.0000 -179.80843 -172.80132 7.00711 2.38795 -173.63993 702.08827
5940.0000 -179.70846 -173.02588 6.68258 2.41884 -173.10034 726.83476
5945.0000 -180.30732 -173.53166 6.77566 2.40903 -173.27175 710.05804
5950.0000 -181.03551 -174.41145 6.62406 2.36744 -173.99818 724.52380
5955.0000 -180.63909 -173.47541 7.16368 2.38521 -173.68792 685.14136
5960.0000 -179.59831 -173.64819 5.95012 2.36411 -174.05632 688.01388
5965.0000 -180.13374 -174.09584 6.03790 2.41100 -173.23744 691.68309
5970.0000 -179.85251 -173.67381 6.17870 2.37605 -173.84787 679.67573
5975.0000 -180.75071 -174.90945 5.84126 2.35983 -174.13121 697.66035
5980.0000 -180.74733 -173.79126 6.95606 2.35081 -174.28863 688.24324
5985.0000 -180.11875 -173.36714 6.75161 2.39099 -173.58689 699.79037
5990.0000 -180.14969 -173.76058 6.38911 2.39352 -173.54271 706.79319
5995.0000 -180.35404 -173.57975 6.77429 2.35803 -174.16266 663.39764
6000.0000 -181.29671 -175.06472 6.23199 2.33532 -174.55932 666.66626
FREEZING PROCESS: loop number 25 T-loop= 668.00000000000000
main_MD> interactions number 25 at Temperature= 668.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11335 -0.80825 0.37311
force_rgl> df(natom) 0.91093 -1.23527 -0.38595
6005.0000 -181.56802 -175.35202 6.21600 2.27186 -175.66768 622.94092
6010.0000 -181.60734 -175.64840 5.95894 2.28406 -175.45460 639.50248
6015.0000 -180.85658 -175.48766 5.36892 2.25253 -176.00540 609.44128
6020.0000 -181.36286 -175.09821 6.26465 2.30603 -175.07089 650.24349
6025.0000 -180.79182 -174.77720 6.01462 2.33248 -174.60883 671.36507
6030.0000 -181.10957 -174.96326 6.14631 2.33019 -174.64883 668.33405
6035.0000 -181.57200 -175.81344 5.75856 2.29101 -175.33329 646.60090
6040.0000 -182.24482 -175.10886 7.13596 2.27511 -175.61086 630.43258
6045.0000 -182.23411 -175.94522 6.28889 2.27016 -175.69745 637.69925
6050.0000 -181.53033 -175.73385 5.79649 2.27370 -175.63548 615.63382
6055.0000 -180.58317 -174.61540 5.96776 2.30463 -175.09540 651.05097
6060.0000 -180.08554 -173.09771 6.98784 2.37859 -173.80352 673.77564
6065.0000 -181.59702 -175.17921 6.41781 2.36350 -174.06698 646.77976
6070.0000 -181.56457 -175.07893 6.48564 2.30588 -175.07353 650.41119
6075.0000 -180.95540 -175.17542 5.77997 2.32200 -174.79195 646.12772
6080.0000 -181.21619 -174.18784 7.02836 2.33086 -174.63718 678.07392
6085.0000 -181.41894 -174.41972 6.99922 2.34044 -174.46983 666.65347
6090.0000 -181.51445 -175.69804 5.81642 2.32561 -174.72884 649.21892
6095.0000 -180.69271 -174.22338 6.46933 2.30869 -175.02433 641.45381
6100.0000 -181.45948 -174.06577 7.39371 2.35793 -174.16440 685.06140
6105.0000 -182.20060 -176.15716 6.04344 2.30174 -175.14572 647.34001
6110.0000 -180.85757 -173.58060 7.27697 2.31069 -174.98950 651.12355
6115.0000 -181.85368 -175.28773 6.56594 2.30789 -175.03844 659.41106
6120.0000 -180.87886 -175.33346 5.54540 2.28523 -175.43414 607.97840
6125.0000 -181.15726 -174.87211 6.28515 2.30976 -175.00564 615.36638
6130.0000 -180.36153 -174.19888 6.16265 2.32886 -174.67214 626.38308
6135.0000 -180.11926 -173.90868 6.21058 2.34496 -174.39084 641.96536
6140.0000 -181.00539 -175.01329 5.99209 2.35646 -174.19000 661.94832
6145.0000 -180.81587 -174.55279 6.26309 2.31728 -174.87441 630.72371
6150.0000 -181.47863 -175.53905 5.93959 2.30809 -175.03496 621.95725
6155.0000 -180.39318 -175.24347 5.14971 2.28180 -175.49411 603.46478
6160.0000 -181.00059 -174.43804 6.56254 2.32439 -174.75009 637.66491
6165.0000 -180.88982 -175.07296 5.81687 2.33978 -174.48143 664.72563
6170.0000 -180.69420 -173.61346 7.08074 2.36512 -174.03866 684.59193
6175.0000 -180.68137 -174.24649 6.43489 2.37787 -173.81607 697.78117
6180.0000 -180.27653 -173.79632 6.48021 2.36755 -173.99636 679.51865
6185.0000 -181.51964 -176.50669 5.01296 2.31496 -174.91489 659.30745
6190.0000 -180.88900 -175.15741 5.73160 2.23846 -176.25111 598.25639
6195.0000 -182.28893 -175.66360 6.62533 2.27894 -175.54401 638.99398
6200.0000 -180.93865 -174.08913 6.84951 2.32671 -174.70969 675.95306
6205.0000 -180.88287 -175.73165 5.15122 2.30913 -175.01676 637.42158
6210.0000 -181.56826 -175.25325 6.31501 2.29071 -175.33846 625.30817
6215.0000 -180.42795 -173.92899 6.49896 2.31605 -174.89581 646.93521
6220.0000 -180.70083 -175.41956 5.28126 2.33576 -174.55162 661.41379
6225.0000 -181.22620 -175.30682 5.91938 2.30256 -175.13155 630.57123
6230.0000 -180.74440 -174.57454 6.16986 2.32502 -174.73925 642.68075
6235.0000 -179.67126 -174.77616 4.89511 2.35506 -174.21444 668.46708
6240.0000 -181.50191 -175.84110 5.66080 2.29421 -175.27737 638.43226
6245.0000 -180.71252 -174.54698 6.16554 2.31610 -174.89497 680.38413
6250.0000 -180.71903 -173.60305 7.11598 2.34264 -174.43144 688.83729
FREEZING PROCESS: loop number 26 T-loop= 643.00000000000000
main_MD> interactions number 26 at Temperature= 643.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23421 -2.06770 2.16602
force_rgl> df(natom) 0.86083 0.60332 -0.18170
6255.0000 -181.26141 -174.89564 6.36577 2.34747 -174.34709 667.30040
6260.0000 -179.72033 -173.27115 6.44919 2.36626 -174.01884 686.12998
6265.0000 -181.53929 -174.83593 6.70336 2.35895 -174.14657 690.88765
6270.0000 -179.21009 -172.69474 6.51535 2.39458 -173.52417 704.17788
6275.0000 -180.73679 -173.16402 7.57277 2.44612 -172.62385 712.76196
6280.0000 -182.04456 -175.51306 6.53150 2.35808 -174.16167 664.16714
6285.0000 -182.32537 -176.61557 5.70979 2.24548 -176.12842 591.93673
6290.0000 -180.85710 -175.03326 5.82385 2.25596 -175.94546 609.80648
6295.0000 -180.39833 -173.93019 6.46814 2.31322 -174.94533 654.34904
6300.0000 -180.92987 -175.77736 5.15251 2.33201 -174.61699 670.19691
6305.0000 -180.54332 -175.16910 5.37422 2.31078 -174.98793 647.09448
6310.0000 -181.21824 -174.85547 6.36277 2.31969 -174.83227 650.53724
6315.0000 -179.91311 -174.06176 5.85136 2.35282 -174.25351 673.96261
6320.0000 -181.92606 -175.01686 6.90920 2.29750 -175.21989 625.66670
6325.0000 -181.85871 -176.03824 5.82047 2.27643 -175.58789 631.70480
6330.0000 -181.41514 -175.87029 5.54485 2.24120 -176.20316 614.37987
6335.0000 -181.85274 -175.78742 6.06532 2.25754 -175.91785 620.56336
6340.0000 -180.88689 -175.34734 5.53955 2.26828 -175.73027 644.56709
6345.0000 -182.14705 -175.95914 6.18790 2.28271 -175.47824 645.05831
6350.0000 -180.15984 -174.10657 6.05327 2.32950 -174.66096 663.28033
6355.0000 -182.15222 -176.31441 5.83781 2.30077 -175.16278 637.99985
6360.0000 -181.44918 -176.16689 5.28229 2.25506 -175.96117 597.69505
6365.0000 -181.26423 -174.39631 6.86792 2.29942 -175.18628 667.69905
6370.0000 -180.33937 -174.67067 5.66871 2.29242 -175.30866 671.31338
6375.0000 -181.83719 -175.30917 6.52801 2.30867 -175.02482 665.73860
6380.0000 -180.86625 -174.56558 6.30067 2.29086 -175.33575 626.46195
6385.0000 -181.41278 -175.58214 5.83063 2.30058 -175.16608 621.15973
6390.0000 -180.35534 -174.72807 5.62727 2.30699 -175.05417 655.22960
6395.0000 -181.03830 -175.93578 5.10253 2.29840 -175.20405 660.47146
6400.0000 -181.24548 -175.39173 5.85374 2.27642 -175.58797 610.92865
6405.0000 -181.39590 -174.60754 6.78836 2.32417 -174.75396 649.45180
6410.0000 -179.83747 -173.61302 6.22445 2.36033 -174.12240 705.65095
6415.0000 -180.54933 -174.64478 5.90456 2.36503 -174.04030 694.85312
6420.0000 -180.27219 -174.25280 6.01940 2.35326 -174.24596 669.31889
6425.0000 -181.09323 -174.78024 6.31299 2.28972 -175.35579 635.30163
6430.0000 -180.71680 -173.89968 6.81713 2.32861 -174.67654 652.59040
6435.0000 -180.83372 -174.78448 6.04924 2.34936 -174.31397 672.95434
6440.0000 -181.12240 -175.84243 5.27997 2.27233 -175.65943 614.53090
6445.0000 -180.53384 -174.80852 5.72532 2.29351 -175.28953 638.48815
6450.0000 -180.37922 -175.30930 5.06992 2.32728 -174.69977 642.99044
6455.0000 -180.36326 -174.65973 5.70353 2.31506 -174.91310 646.26112
6460.0000 -180.94677 -175.41604 5.53073 2.31452 -174.92257 625.41705
6465.0000 -181.15656 -174.42109 6.73548 2.34516 -174.38741 663.62485
6470.0000 -180.41210 -173.98070 6.43139 2.32947 -174.66147 661.41018
6475.0000 -182.37343 -176.75137 5.62206 2.32551 -174.73054 659.41414
6480.0000 -182.36364 -177.16365 5.20000 2.19492 -177.01166 583.29854
6485.0000 -181.49438 -176.05407 5.44031 2.24561 -176.12618 598.54472
6490.0000 -181.14342 -174.70764 6.43578 2.25494 -175.96325 619.41439
6495.0000 -180.84676 -174.88122 5.96554 2.32553 -174.73020 671.90154
6500.0000 -181.76145 -175.01243 6.74902 2.35101 -174.28524 659.84628
FREEZING PROCESS: loop number 27 T-loop= 618.00000000000000
main_MD> interactions number 27 at Temperature= 618.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.30118 1.52519 -0.10732
force_rgl> df(natom) 2.80912 -1.56708 1.64225
6505.0000 -181.25544 -174.51237 6.74307 2.32899 -174.66981 670.05607
6510.0000 -181.09537 -175.14209 5.95328 2.31726 -174.87479 659.98059
6515.0000 -182.14649 -176.56449 5.58201 2.24739 -176.09512 611.35101
6520.0000 -180.94263 -175.55603 5.38660 2.26630 -175.76490 599.40469
6525.0000 -181.88163 -176.01549 5.86614 2.29850 -175.20230 641.73477
6530.0000 -180.85019 -174.77641 6.07378 2.28080 -175.51161 615.07380
6535.0000 -181.62456 -176.64683 4.97773 2.25228 -176.00978 609.29699
6540.0000 -182.10599 -175.92064 6.18534 2.22745 -176.44336 591.25816
6545.0000 -180.78427 -175.46397 5.32030 2.27636 -175.58910 626.22210
6550.0000 -182.09322 -176.71063 5.38258 2.25118 -176.02891 624.43256
6555.0000 -182.74319 -177.66585 5.07734 2.17339 -177.38763 557.11028
6560.0000 -182.03653 -176.75974 5.27678 2.15527 -177.70420 559.01538
6565.0000 -181.20676 -175.28599 5.92077 2.24432 -176.14874 599.73301
6570.0000 -180.15378 -175.06219 5.09159 2.29879 -175.19730 671.06452
6575.0000 -180.89036 -175.00883 5.88153 2.29752 -175.21957 658.20361
6580.0000 -181.69154 -175.35378 6.33776 2.27588 -175.59755 640.65272
6585.0000 -181.15015 -175.57069 5.57946 2.28504 -175.43743 632.30605
6590.0000 -181.99779 -175.37825 6.61955 2.33142 -174.62741 662.33915
6595.0000 -180.84804 -175.12225 5.72579 2.28660 -175.41021 625.30640
6600.0000 -181.46723 -175.41723 6.05000 2.30035 -175.17016 648.77663
6605.0000 -181.88146 -175.70135 6.18011 2.29003 -175.35033 640.76578
6610.0000 -181.00474 -175.24807 5.75666 2.26119 -175.85413 606.32063
6615.0000 -180.18735 -174.65320 5.53415 2.34778 -174.34155 669.58272
6620.0000 -181.79817 -175.47949 6.31868 2.30557 -175.07891 634.88691
6625.0000 -182.00057 -176.55000 5.45057 2.27666 -175.58387 636.41038
6630.0000 -182.27384 -176.16168 6.11215 2.23303 -176.34600 590.17291
6635.0000 -181.59760 -175.82907 5.76854 2.29208 -175.31452 641.67558
6640.0000 -181.96429 -176.30099 5.66330 2.26869 -175.72304 614.81268
6645.0000 -181.46319 -176.14285 5.32035 2.24377 -176.15832 612.71030
6650.0000 -182.10967 -175.88483 6.22484 2.22565 -176.47483 580.55747
6655.0000 -181.56441 -176.40011 5.16430 2.23695 -176.27747 592.78501
6660.0000 -181.02119 -176.54847 4.47272 2.20901 -176.76551 578.55111
6665.0000 -181.61261 -175.90159 5.71102 2.23095 -176.38231 581.08425
6670.0000 -180.48160 -175.27690 5.20471 2.26036 -175.86862 599.11609
6675.0000 -180.93621 -173.75835 7.17786 2.32247 -174.78373 656.57809
6680.0000 -181.41901 -175.62748 5.79153 2.31723 -174.87520 674.78547
6685.0000 -181.75102 -175.79076 5.96026 2.26675 -175.75700 593.65985
6690.0000 -181.55250 -175.10847 6.44403 2.32643 -174.71456 617.35571
6695.0000 -182.21723 -176.06685 6.15038 2.28168 -175.49610 622.57585
6700.0000 -181.96029 -177.07351 4.88678 2.22159 -176.54569 598.22917
6705.0000 -182.17708 -175.88561 6.29147 2.19813 -176.95559 579.77754
6710.0000 -181.85158 -175.76857 6.08300 2.28843 -175.37832 631.97235
6715.0000 -182.32699 -177.50730 4.81969 2.25236 -176.00825 611.53988
6720.0000 -181.83146 -176.26337 5.56808 2.22225 -176.53423 582.15120
6725.0000 -181.85871 -176.03667 5.82204 2.23993 -176.22548 621.90819
6730.0000 -182.95350 -177.61442 5.33908 2.20696 -176.80133 607.00355
6735.0000 -181.41230 -174.63447 6.77783 2.23567 -176.29990 608.79695
6740.0000 -182.23111 -176.07669 6.15441 2.26749 -175.74399 634.78394
6745.0000 -180.91243 -175.62235 5.29008 2.29307 -175.29726 642.60474
6750.0000 -181.99186 -175.83268 6.15918 2.28326 -175.46864 638.84920
FREEZING PROCESS: loop number 28 T-loop= 593.00000000000000
main_MD> interactions number 28 at Temperature= 593.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55545 2.64496 -1.85486
force_rgl> df(natom) 0.08036 1.08792 -0.78041
6755.0000 -182.12984 -176.64446 5.48538 2.25423 -175.97568 616.69239
6760.0000 -181.64841 -176.51738 5.13103 2.20160 -176.89494 578.19550
6765.0000 -181.79455 -176.67463 5.11992 2.24874 -176.07147 609.81691
6770.0000 -182.05904 -177.10584 4.95320 2.19096 -177.08073 575.10692
6775.0000 -182.21325 -176.27708 5.93617 2.22891 -176.41798 605.98231
6780.0000 -182.44681 -176.81617 5.63065 2.22210 -176.53681 608.73829
6785.0000 -181.85824 -176.42718 5.43105 2.22222 -176.53476 581.25197
6790.0000 -181.59334 -176.11837 5.47497 2.22491 -176.48784 590.93181
6795.0000 -182.36579 -176.90100 5.46479 2.22715 -176.44862 601.29574
6800.0000 -180.91258 -175.07729 5.83529 2.24976 -176.05365 623.42582
6805.0000 -183.17808 -176.66806 6.51002 2.25944 -175.88458 610.27478
6810.0000 -182.40607 -176.70999 5.69608 2.20232 -176.88238 569.59462
6815.0000 -182.42517 -176.96366 5.46151 2.19657 -176.98285 567.33804
6820.0000 -181.68825 -175.79720 5.89105 2.22565 -176.47482 599.52319
6825.0000 -182.12717 -175.88058 6.24659 2.27070 -175.68799 607.96302
6830.0000 -182.16549 -176.45934 5.70615 2.23718 -176.27349 584.52319
6835.0000 -181.88770 -176.90921 4.97849 2.20359 -176.86016 581.65866
6840.0000 -182.57573 -176.69134 5.88439 2.21370 -176.68364 588.40661
6845.0000 -181.37771 -176.06112 5.31659 2.24345 -176.16398 613.81894
6850.0000 -181.55318 -175.31111 6.24207 2.28907 -175.36717 621.66898
6855.0000 -181.33793 -176.31681 5.02112 2.27487 -175.61515 623.97921
6860.0000 -181.98776 -175.49275 6.49502 2.23581 -176.29746 591.87324
6865.0000 -182.16876 -176.55798 5.61078 2.22767 -176.43965 598.01956
6870.0000 -181.96021 -176.45189 5.50831 2.17835 -177.30103 565.89413
6875.0000 -181.96581 -175.74026 6.22555 2.27255 -175.65558 608.95252
6880.0000 -181.77096 -175.86029 5.91067 2.27554 -175.60344 645.97782
6885.0000 -182.66591 -176.81948 5.84643 2.20975 -176.75262 576.99475
6890.0000 -182.85636 -178.43837 4.41799 2.13382 -178.07874 536.67608
6895.0000 -181.87394 -176.39580 5.47814 2.17680 -177.32814 578.96881
6900.0000 -181.37605 -175.15027 6.22578 2.26631 -175.76470 618.31070
6905.0000 -182.66983 -176.81247 5.85736 2.23751 -176.26764 593.75798
6910.0000 -183.26892 -177.18623 6.08269 2.18070 -177.26006 586.18891
6915.0000 -181.59448 -176.24302 5.35146 2.22342 -176.51384 603.12445
6920.0000 -181.77175 -176.00837 5.76337 2.22791 -176.43537 610.91676
6925.0000 -182.55971 -175.72299 6.83672 2.24713 -176.09972 621.53642
6930.0000 -182.48477 -177.12002 5.36474 2.20620 -176.81458 574.22664
6935.0000 -182.23920 -176.92184 5.31736 2.16461 -177.54111 554.12497
6940.0000 -183.27265 -177.12583 6.14682 2.21366 -176.68423 605.91477
6945.0000 -182.19962 -176.45200 5.74762 2.19781 -176.96115 607.54406
6950.0000 -181.72842 -176.43582 5.29260 2.20611 -176.81621 586.02398
6955.0000 -182.28779 -176.10751 6.18028 2.22935 -176.41017 593.27778
6960.0000 -182.22932 -177.39269 4.83663 2.17783 -177.31005 568.66521
6965.0000 -182.44352 -176.62160 5.82192 2.24131 -176.20125 618.07486
6970.0000 -182.29350 -177.31471 4.97879 2.21718 -176.62278 617.22766
6975.0000 -182.49732 -177.10002 5.39730 2.16094 -177.60517 564.47220
6980.0000 -182.45383 -177.63193 4.82191 2.15334 -177.73782 555.29995
6985.0000 -181.65962 -175.67315 5.98647 2.21737 -176.61946 607.52648
6990.0000 -180.80241 -175.77593 5.02648 2.27411 -175.62839 639.03642
6995.0000 -181.97586 -175.71595 6.25991 2.23227 -176.35927 589.04892
7000.0000 -182.86597 -176.97932 5.88664 2.21969 -176.57899 584.22483
FREEZING PROCESS: loop number 29 T-loop= 568.00000000000000
main_MD> interactions number 29 at Temperature= 568.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.10506 2.56400 -2.58565
force_rgl> df(natom) 0.24352 0.57795 0.38423
7005.0000 -183.36738 -178.19968 5.16770 2.15854 -177.64697 539.45208
7010.0000 -182.13029 -176.95810 5.17219 2.14555 -177.87399 552.69303
7015.0000 -183.26401 -176.95137 6.31264 2.20448 -176.84460 607.05728
7020.0000 -181.83076 -176.72251 5.10825 2.21819 -176.60517 587.42117
7025.0000 -181.94293 -176.53439 5.40854 2.20460 -176.84255 561.38024
7030.0000 -183.43775 -177.59042 5.84732 2.22886 -176.41878 607.06275
7035.0000 -183.53354 -177.80384 5.72970 2.14890 -177.81539 550.71582
7040.0000 -183.66068 -178.52533 5.13536 2.13563 -178.04717 553.53197
7045.0000 -183.47576 -178.98226 4.49349 2.12131 -178.29728 537.85522
7050.0000 -182.33110 -177.33416 4.99694 2.13779 -178.00942 547.58811
7055.0000 -182.99458 -177.60811 5.38647 2.17814 -177.30469 569.96553
7060.0000 -183.25121 -178.37974 4.87147 2.13452 -178.06662 520.35712
7065.0000 -181.76025 -176.22903 5.53122 2.18367 -177.20814 567.28260
7070.0000 -182.25469 -176.62009 5.63459 2.22351 -176.51224 599.93647
7075.0000 -182.44537 -177.29809 5.14728 2.18715 -177.14731 580.07591
7080.0000 -183.52665 -177.18073 6.34592 2.17847 -177.29885 572.10365
7085.0000 -181.97180 -176.70762 5.26418 2.17725 -177.32030 588.20724
7090.0000 -182.28373 -175.73201 6.55172 2.23399 -176.32923 610.78284
7095.0000 -182.48337 -176.97440 5.50897 2.22426 -176.49910 617.00300
7100.0000 -181.91136 -177.15426 4.75710 2.18753 -177.14062 584.19698
7105.0000 -182.68588 -177.44248 5.24341 2.18558 -177.17470 567.79947
7110.0000 -182.03077 -177.19480 4.83597 2.13904 -177.98764 546.57272
7115.0000 -182.69982 -177.00905 5.69076 2.15506 -177.70787 541.34141
7120.0000 -181.26203 -175.97094 5.29110 2.21201 -176.71309 583.94180
7125.0000 -182.37543 -176.93640 5.43903 2.24093 -176.20787 608.61795
7130.0000 -182.55944 -176.95362 5.60582 2.18697 -177.15050 576.50641
7135.0000 -182.69797 -177.49679 5.20118 2.20084 -176.90815 571.11657
7140.0000 -182.56976 -176.44973 6.12003 2.21032 -176.74266 577.51179
7145.0000 -181.62511 -176.00722 5.61788 2.23131 -176.37594 597.16021
7150.0000 -182.10015 -176.89818 5.20197 2.20881 -176.76908 565.44165
7155.0000 -182.70022 -177.84642 4.85380 2.15520 -177.70530 525.03916
7160.0000 -182.10237 -176.13496 5.96741 2.21312 -176.69368 575.30564
7165.0000 -182.08449 -176.16608 5.91841 2.22087 -176.55837 610.81279
7170.0000 -183.15291 -177.81918 5.33373 2.22678 -176.45515 621.90319
7175.0000 -181.93626 -176.73507 5.20119 2.15656 -177.68159 580.15804
7180.0000 -183.29775 -178.38743 4.91032 2.18001 -177.27198 583.65695
7185.0000 -183.30701 -179.09607 4.21094 2.04793 -179.57901 478.58331
7190.0000 -183.71087 -178.17956 5.53130 2.12856 -178.17078 530.97335
7195.0000 -183.21309 -178.59463 4.61846 2.09942 -178.67969 515.25432
7200.0000 -183.42225 -178.52382 4.89844 2.08741 -178.88939 511.93239
7205.0000 -183.18168 -176.89173 6.28995 2.19037 -177.09106 603.62679
7210.0000 -184.02316 -178.37787 5.64529 2.15081 -177.78202 559.82362
7215.0000 -182.47147 -176.77212 5.69935 2.20365 -176.85905 614.45438
7220.0000 -182.17447 -177.63806 4.53641 2.16398 -177.55205 557.38156
7225.0000 -181.74106 -177.16410 4.57696 2.18780 -177.13597 547.10360
7230.0000 -182.22417 -176.81873 5.40544 2.19899 -176.94059 561.99324
7235.0000 -182.71364 -176.99236 5.72128 2.21430 -176.67315 584.18220
7240.0000 -182.31524 -177.99931 4.31592 2.16297 -177.56961 564.64044
7245.0000 -183.74783 -178.03856 5.70927 2.14314 -177.91605 546.61543
7250.0000 -183.70546 -178.59459 5.11088 2.13312 -178.09103 566.98570
FREEZING PROCESS: loop number 30 T-loop= 543.00000000000000
main_MD> interactions number 30 at Temperature= 543.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.26173 -2.18582 -0.56220
force_rgl> df(natom) -3.24185 -1.87018 0.93176
7255.0000 -184.75286 -178.58562 6.16724 2.08875 -178.86615 542.49387
7260.0000 -183.06507 -177.88454 5.18053 2.12483 -178.23591 560.64819
7265.0000 -183.03657 -176.98998 6.04658 2.18289 -177.22166 581.54648
7270.0000 -183.25157 -178.28070 4.97087 2.13897 -177.98893 551.09581
7275.0000 -183.35902 -178.44803 4.91098 2.11792 -178.35657 523.70499
7280.0000 -183.33771 -177.72860 5.60912 2.16270 -177.57444 592.43882
7285.0000 -183.99358 -177.80512 6.18846 2.13497 -178.05878 591.59296
7290.0000 -184.02296 -178.70454 5.31842 2.11653 -178.38091 551.48589
7295.0000 -184.13432 -178.64973 5.48459 2.10803 -178.52936 556.48949
7300.0000 -183.89741 -178.21475 5.68266 2.09546 -178.74881 556.06369
7305.0000 -182.91706 -177.53619 5.38087 2.16462 -177.54077 588.95971
7310.0000 -182.66094 -177.92322 4.73773 2.13527 -178.05350 552.47658
7315.0000 -182.52883 -177.61489 4.91394 2.15830 -177.65125 544.39894
7320.0000 -182.39264 -177.77813 4.61451 2.15591 -177.69292 524.47514
7325.0000 -182.21246 -177.94021 4.27225 2.15092 -177.78013 518.26496
7330.0000 -183.14854 -177.40702 5.74153 2.16073 -177.60872 551.90242
7335.0000 -182.90458 -177.76390 5.14068 2.17325 -177.39008 556.52246
7340.0000 -183.43679 -177.90779 5.52900 2.14893 -177.81491 551.50628
7345.0000 -183.63586 -178.14445 5.49141 2.13342 -178.08579 533.95985
7350.0000 -183.00306 -177.82685 5.17621 2.13599 -178.04092 544.63651
7355.0000 -184.14940 -179.18569 4.96372 2.11218 -178.45675 537.30821
7360.0000 -183.52585 -177.92031 5.60554 2.13792 -178.00730 568.82362
7365.0000 -183.61528 -178.57027 5.04501 2.10918 -178.50921 534.23175
7370.0000 -183.35029 -178.85266 4.49763 2.07705 -179.07042 505.22292
7375.0000 -183.63804 -178.32516 5.31288 2.12171 -178.29043 531.19146
7380.0000 -182.84003 -177.35845 5.48158 2.15412 -177.72431 532.07223
7385.0000 -183.62747 -178.94139 4.68608 2.13225 -178.10618 530.62912
7390.0000 -182.51597 -177.60381 4.91216 2.14171 -177.94099 517.71926
7395.0000 -183.28199 -178.69845 4.58354 2.11989 -178.32209 519.35513
7400.0000 -183.92286 -178.57289 5.34997 2.10146 -178.64399 521.55029
7405.0000 -182.83045 -177.85696 4.97349 2.11967 -178.32596 540.72490
7410.0000 -182.93096 -178.20522 4.72574 2.14765 -177.83732 560.46405
7415.0000 -183.22403 -177.91365 5.31037 2.13517 -178.05518 540.34310
7420.0000 -182.91264 -177.92176 4.99088 2.14591 -177.86761 556.06795
7425.0000 -182.87052 -177.83596 5.03456 2.14232 -177.93044 546.29998
7430.0000 -181.94656 -176.63722 5.30934 2.19055 -177.08797 570.73825
7435.0000 -182.95941 -177.68211 5.27730 2.20438 -176.84629 576.39943
7440.0000 -183.25587 -178.01420 5.24167 2.12703 -178.19735 553.97441
7445.0000 -183.21228 -178.12054 5.09174 2.12662 -178.20468 546.54489
7450.0000 -182.94317 -177.66814 5.27503 2.13602 -178.04039 545.75100
7455.0000 -181.85760 -176.89759 4.96002 2.19185 -177.06529 581.26676
7460.0000 -183.19231 -177.19223 6.00008 2.17429 -177.37191 559.43075
7465.0000 -181.95345 -177.60215 4.35130 2.15006 -177.79519 550.14118
7470.0000 -183.19970 -178.07261 5.12709 2.15566 -177.69732 550.24684
7475.0000 -183.74639 -178.48042 5.26597 2.12349 -178.25931 516.80105
7480.0000 -182.58326 -178.13785 4.44541 2.10548 -178.57392 511.96026
7485.0000 -182.73354 -178.45340 4.28014 2.15695 -177.67476 549.50780
7490.0000 -183.56141 -177.65518 5.90624 2.16120 -177.60067 558.72764
7495.0000 -183.35535 -177.86942 5.48593 2.16829 -177.47668 602.58664
7500.0000 -183.87633 -179.85299 4.02333 2.11342 -178.43510 537.29777
FREEZING PROCESS: loop number 31 T-loop= 518.00000000000000
main_MD> interactions number 31 at Temperature= 518.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.28734 -5.77945 -2.76975
force_rgl> df(natom) 1.70604 -0.79673 -0.92293
7505.0000 -183.37623 -178.62901 4.74721 2.07798 -179.05410 494.07072
7510.0000 -183.08651 -178.69585 4.39066 2.07426 -179.11915 513.27476
7515.0000 -184.88590 -179.59357 5.29233 2.08241 -178.97678 548.98540
7520.0000 -183.95698 -177.77984 6.17714 2.09186 -178.81168 577.79633
7525.0000 -184.85335 -179.87822 4.97512 2.08454 -178.93964 576.79274
7530.0000 -184.71215 -179.83063 4.88152 2.05412 -179.47094 548.39413
7535.0000 -185.67682 -180.79741 4.87940 2.01051 -180.23265 520.54824
7540.0000 -185.84507 -180.49964 5.34543 1.96784 -180.97791 486.84055
7545.0000 -184.35960 -179.56701 4.79259 2.00606 -180.31039 515.92391
7550.0000 -185.01326 -179.46191 5.55135 2.04013 -179.71530 540.33831
7555.0000 -184.73048 -179.97134 4.75914 2.03474 -179.80944 524.04565
7560.0000 -184.74861 -180.23299 4.51562 2.00126 -180.39419 493.98060
7565.0000 -184.04000 -179.36643 4.67356 2.02691 -179.94623 490.07397
7570.0000 -184.93035 -179.89239 5.03796 2.04744 -179.58758 504.14633
7575.0000 -184.55371 -179.64695 4.90677 2.03284 -179.84271 508.07201
7580.0000 -183.87806 -178.18923 5.68882 2.06966 -179.19950 521.19914
7585.0000 -185.58507 -180.10752 5.47755 2.05712 -179.41846 525.46382
7590.0000 -184.60065 -180.12259 4.47806 2.03143 -179.86731 501.52686
7595.0000 -184.21519 -179.54408 4.67111 2.02955 -179.90005 502.82176
7600.0000 -184.84979 -179.14991 5.69988 2.06317 -179.31290 536.57229
7605.0000 -184.75565 -180.74093 4.01471 2.04571 -179.61785 509.91757
7610.0000 -184.87925 -180.10723 4.77201 2.02350 -180.00584 506.52989
7615.0000 -184.48246 -179.34533 5.13713 2.02983 -179.89523 504.53509
7620.0000 -184.45267 -179.26401 5.18867 2.06025 -179.36389 537.44727
7625.0000 -183.76015 -178.78301 4.97713 2.06546 -179.27282 534.89855
7630.0000 -183.90592 -179.01231 4.89361 2.05169 -179.51332 553.47979
7635.0000 -184.83682 -179.65372 5.18310 2.07874 -179.04089 586.22632
7640.0000 -185.67326 -181.30581 4.36744 1.99017 -180.58798 521.73412
7645.0000 -186.00505 -180.83258 5.17248 1.95197 -181.25516 490.21338
7650.0000 -185.17577 -180.06493 5.11084 1.99013 -180.58863 525.21125
7655.0000 -184.49660 -179.86724 4.62936 2.00108 -180.39739 528.38652
7660.0000 -185.27325 -180.41445 4.85879 2.00718 -180.29088 531.16063
7665.0000 -185.13357 -180.33466 4.79891 1.99414 -180.51862 530.82682
7670.0000 -184.85217 -180.20190 4.65027 2.00902 -180.25875 531.27336
7675.0000 -185.78932 -180.56102 5.22830 2.00582 -180.31457 531.99023
7680.0000 -185.79821 -180.52505 5.27316 1.97118 -180.91965 505.71213
7685.0000 -186.43204 -181.31719 5.11485 1.98747 -180.63519 519.11785
7690.0000 -185.20164 -180.25043 4.95122 1.98862 -180.61499 519.92554
7695.0000 -185.08984 -180.58978 4.50006 1.98559 -180.66791 522.53247
7700.0000 -185.53925 -180.62813 4.91112 1.97942 -180.77567 506.79639
7705.0000 -185.38884 -180.68385 4.70499 1.99716 -180.46590 530.21269
7710.0000 -185.42138 -181.58136 3.84002 1.95670 -181.17258 489.90724
7715.0000 -184.43039 -178.82189 5.60850 2.01305 -180.18832 529.75060
7720.0000 -185.03394 -178.70565 6.32829 2.09165 -178.81537 595.16533
7725.0000 -184.02212 -178.63768 5.38443 2.12540 -178.22589 601.15190
7730.0000 -184.90835 -180.80461 4.10374 2.04396 -179.64843 530.54528
7735.0000 -185.26618 -180.18058 5.08560 1.97711 -180.81603 484.22997
7740.0000 -185.68707 -181.00372 4.68334 1.98070 -180.75328 518.26453
7745.0000 -186.25074 -181.52660 4.72414 1.93753 -181.50743 478.50160
7750.0000 -185.73572 -181.01606 4.71966 1.98065 -180.75419 520.74821
FREEZING PROCESS: loop number 32 T-loop= 493.00000000000000
main_MD> interactions number 32 at Temperature= 493.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41589 -0.96620 -0.01152
force_rgl> df(natom) 1.48308 1.01017 -2.91851
7755.0000 -186.05519 -181.30254 4.75266 1.95395 -181.22064 493.17499
7760.0000 -186.09455 -181.30347 4.79108 1.93267 -181.59236 480.24487
7765.0000 -185.48575 -180.62970 4.85605 1.99263 -180.54491 523.87154
7770.0000 -185.65454 -180.30840 5.34614 2.01007 -180.24043 533.62797
7775.0000 -186.19282 -181.85031 4.34252 1.95700 -181.16726 494.42510
7780.0000 -186.47672 -182.36672 4.11000 1.91162 -181.95992 460.34438
7785.0000 -186.37385 -182.19961 4.17424 1.91308 -181.93443 459.74624
7790.0000 -185.26427 -179.94854 5.31574 1.95992 -181.11631 491.16033
7795.0000 -186.20135 -181.52988 4.67147 1.98916 -180.60553 511.93096
7800.0000 -186.00763 -181.26505 4.74258 1.92201 -181.77857 462.91749
7805.0000 -185.79124 -181.06573 4.72551 1.95470 -181.20757 489.81512
7810.0000 -186.15540 -181.75617 4.39923 1.93544 -181.54387 474.62634
7815.0000 -186.75478 -181.63393 5.12086 1.92605 -181.70790 467.98995
7820.0000 -186.58789 -181.79531 4.79258 1.93108 -181.62003 476.24384
7825.0000 -185.76704 -181.30869 4.45835 1.94748 -181.33368 489.72843
7830.0000 -185.31143 -181.11769 4.19374 1.94515 -181.37422 484.68687
7835.0000 -186.38825 -182.32136 4.06689 1.93170 -181.60920 470.84739
7840.0000 -185.71944 -180.67313 5.04631 1.93791 -181.50084 485.29750
7845.0000 -185.74514 -181.78634 3.95880 1.96637 -181.00366 499.99910
7850.0000 -186.28295 -181.45575 4.82719 1.94205 -181.42838 479.78924
7855.0000 -185.05231 -179.90764 5.14467 2.00107 -180.39753 523.48370
7860.0000 -185.12200 -180.90430 4.21770 2.04339 -179.65828 562.90845
7865.0000 -186.27478 -180.43977 5.83501 1.98005 -180.76468 508.10269
7870.0000 -186.00671 -180.91781 5.08890 1.98399 -180.69584 516.32370
7875.0000 -186.57862 -181.78471 4.79391 1.92196 -181.77939 464.15802
7880.0000 -186.11624 -181.01041 5.10583 1.92542 -181.71893 470.18299
7885.0000 -185.34110 -180.74077 4.60032 1.97534 -180.84700 508.31797
7890.0000 -186.22272 -181.62135 4.60136 1.95155 -181.26250 488.77990
7895.0000 -186.06743 -181.23247 4.83497 1.94017 -181.46133 482.72683
7900.0000 -185.89126 -180.71707 5.17420 1.94872 -181.31192 483.06213
7905.0000 -186.38321 -181.60414 4.77908 1.95490 -181.20398 493.69474
7910.0000 -186.16370 -182.36253 3.80117 1.91374 -181.92299 458.69992
7915.0000 -186.18372 -182.75911 3.42461 1.88196 -182.47796 430.12543
7920.0000 -186.13152 -181.82990 4.30162 1.88078 -182.49868 432.16308
7925.0000 -186.05882 -181.70780 4.35101 1.91861 -181.83787 461.97771
7930.0000 -186.20926 -181.09181 5.11745 2.00238 -180.37472 532.26735
7935.0000 -185.66800 -180.89698 4.77103 1.95400 -181.21981 495.09532
7940.0000 -185.45675 -181.27436 4.18239 1.94027 -181.45954 475.75532
7945.0000 -184.49380 -180.16163 4.33217 1.98303 -180.71274 515.06717
7950.0000 -185.25288 -180.69627 4.55661 2.02198 -180.03240 546.05368
7955.0000 -185.48128 -180.31997 5.16131 1.99621 -180.48238 514.40713
7960.0000 -184.63836 -179.69843 4.93993 1.97427 -180.86568 510.31038
7965.0000 -185.28233 -180.22994 5.05239 2.02083 -180.05250 549.56516
7970.0000 -185.73594 -180.84021 4.89573 1.99549 -180.49506 527.53668
7975.0000 -186.25839 -182.61812 3.64027 1.94248 -181.42093 481.96103
7980.0000 -186.00390 -181.41981 4.58409 1.91852 -181.83938 465.92734
7985.0000 -185.71392 -181.22776 4.48616 1.95025 -181.28520 494.69457
7990.0000 -185.25848 -180.85712 4.40137 1.96254 -181.07063 499.04400
7995.0000 -186.62703 -181.08753 5.53951 1.95521 -181.19855 489.59863
8000.0000 -185.78106 -181.40864 4.37241 1.95295 -181.23805 485.06817
FREEZING PROCESS: loop number 33 T-loop= 468.00000000000000
main_MD> interactions number 33 at Temperature= 468.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.15346 1.57262 -0.75802
force_rgl> df(natom) 2.34146 -0.19699 -0.40156
8005.0000 -185.77689 -182.13499 3.64190 1.94030 -181.45907 481.90389
8010.0000 -185.72256 -181.61633 4.10623 1.89313 -182.28298 440.01578
8015.0000 -186.24660 -181.59983 4.64677 1.91378 -181.92225 458.52270
8020.0000 -185.73785 -180.90119 4.83666 1.96093 -181.09861 491.48510
8025.0000 -185.60681 -180.90541 4.70140 1.97660 -180.82505 512.93373
8030.0000 -186.36088 -180.92247 5.43841 1.95694 -181.16833 504.00408
8035.0000 -186.03040 -182.08887 3.94153 1.93924 -181.47756 483.99208
8040.0000 -186.51750 -182.32111 4.19639 1.88730 -182.38470 436.41755
8045.0000 -186.18894 -181.72917 4.45977 1.92391 -181.74525 464.29203
8050.0000 -186.19516 -181.82876 4.36640 1.91740 -181.85908 459.59704
8055.0000 -185.81318 -182.09425 3.71892 1.90553 -182.06635 452.47648
8060.0000 -185.92819 -181.69166 4.23653 1.93182 -181.60705 471.41381
8065.0000 -186.79483 -182.31926 4.47557 1.91614 -181.88110 459.67246
8070.0000 -186.29193 -180.78202 5.50991 1.92506 -181.72520 466.50803
8075.0000 -185.13385 -180.70923 4.42462 1.96559 -181.01732 499.49727
8080.0000 -186.45995 -181.52893 4.93102 1.94999 -181.28980 486.45500
8085.0000 -185.15040 -180.66717 4.48322 1.93978 -181.46815 479.72353
8090.0000 -186.59183 -181.58987 5.00196 1.95756 -181.15758 494.31385
8095.0000 -186.02697 -180.85589 5.17108 1.95386 -181.22223 489.37556
8100.0000 -185.95846 -180.54225 5.41621 1.94845 -181.31660 476.98382
8105.0000 -186.31840 -181.60533 4.71307 1.95336 -181.23092 482.51982
8110.0000 -186.52164 -181.65359 4.86805 1.92675 -181.69569 473.56315
8115.0000 -186.01271 -180.79806 5.21465 1.92837 -181.66748 471.26907
8120.0000 -185.55218 -180.79449 4.75769 1.98595 -180.66170 520.54038
8125.0000 -185.20205 -180.50736 4.69469 1.99963 -180.42277 519.48311
8130.0000 -185.67041 -181.09520 4.57520 1.97311 -180.88597 501.15526
8135.0000 -186.57719 -182.33424 4.24295 1.92073 -181.80092 467.11349
8140.0000 -185.62230 -181.22861 4.39370 1.93993 -181.46546 480.54638
8145.0000 -186.20803 -181.75021 4.45782 1.96660 -180.99957 500.53186
8150.0000 -186.18310 -181.95832 4.22478 1.90647 -182.04992 444.86385
8155.0000 -186.07755 -181.95089 4.12666 1.90105 -182.14452 449.27247
8160.0000 -186.10916 -182.30255 3.80661 1.91917 -181.82817 459.53670
8165.0000 -186.35355 -182.01695 4.33659 1.92024 -181.80944 462.29486
8170.0000 -187.18138 -182.40390 4.77748 1.89715 -182.21277 449.82043
8175.0000 -186.29381 -181.99934 4.29447 1.88849 -182.36405 440.38002
8180.0000 -186.33559 -182.10060 4.23499 1.91095 -181.97175 459.56627
8185.0000 -186.44618 -182.27372 4.17245 1.90109 -182.14386 447.95636
8190.0000 -186.44173 -181.86196 4.57978 1.92068 -181.80170 466.55796
8195.0000 -186.25166 -181.97448 4.27717 1.88824 -182.36834 433.30374
8200.0000 -186.80312 -182.63274 4.17038 1.92130 -181.79090 460.54019
8205.0000 -186.36307 -182.26926 4.09381 1.86826 -182.71735 428.97259
8210.0000 -186.62828 -182.56338 4.06491 1.89156 -182.31038 444.23126
8215.0000 -186.48741 -182.59361 3.89379 1.86661 -182.74623 422.90247
8220.0000 -187.01087 -182.69426 4.31661 1.87784 -182.54994 433.17251
8225.0000 -185.72877 -181.50972 4.21905 1.91873 -181.83575 463.80943
8230.0000 -186.20586 -182.13645 4.06941 1.90218 -182.12493 452.27407
8235.0000 -186.41139 -182.09327 4.31812 1.89847 -182.18960 450.97249
8240.0000 -186.03871 -181.33780 4.70091 1.91511 -181.89907 458.43933
8245.0000 -185.57925 -181.53577 4.04348 1.97346 -180.87979 503.50196
8250.0000 -186.02232 -181.41390 4.60842 1.94290 -181.41358 483.71815
FREEZING PROCESS: loop number 34 T-loop= 443.00000000000000
main_MD> interactions number 34 at Temperature= 443.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45908 -1.66776 -2.94764
force_rgl> df(natom) -0.50818 1.70174 0.06603
8255.0000 -185.54914 -182.02492 3.52421 1.95065 -181.27815 495.92732
8260.0000 -186.73593 -182.34498 4.39095 1.87822 -182.54343 423.89935
8265.0000 -186.62473 -182.50038 4.12435 1.86426 -182.78717 417.65277
8270.0000 -185.70072 -181.64921 4.05151 1.91107 -181.96955 454.50259
8275.0000 -186.46620 -182.22592 4.24028 1.92170 -181.78386 462.06556
8280.0000 -186.83278 -181.91163 4.92115 1.88686 -182.39241 439.34278
8285.0000 -186.90393 -182.67099 4.23293 1.89714 -182.21291 443.26409
8290.0000 -186.81494 -182.40113 4.41381 1.87854 -182.53780 432.79218
8295.0000 -185.88837 -182.11025 3.77812 1.90636 -182.05181 453.57978
8300.0000 -185.93539 -180.87473 5.06066 1.92840 -181.66680 471.63962
8305.0000 -185.57252 -181.09690 4.47562 1.93658 -181.52395 478.37825
8310.0000 -185.94942 -182.14946 3.79996 1.94533 -181.37117 483.92220
8315.0000 -186.32922 -182.08469 4.24453 1.91463 -181.90740 456.94450
8320.0000 -186.35605 -181.75014 4.60591 1.91437 -181.91202 462.36843
8325.0000 -186.55304 -182.29299 4.26006 1.91103 -181.97029 456.11727
8330.0000 -186.53835 -182.36466 4.17370 1.89328 -182.28038 443.21962
8335.0000 -186.35832 -181.89075 4.46757 1.88602 -182.40714 438.58857
8340.0000 -186.70463 -182.32272 4.38190 1.92082 -181.79933 466.42527
8345.0000 -186.20631 -182.33693 3.86939 1.90141 -182.13836 446.81168
8350.0000 -186.82697 -183.06193 3.76504 1.87136 -182.66322 425.81286
8355.0000 -187.14348 -182.70458 4.43891 1.87505 -182.59873 429.31198
8360.0000 -186.80366 -182.82094 3.98272 1.84343 -183.15107 400.26603
8365.0000 -186.76595 -182.90870 3.85725 1.88629 -182.40244 441.74495
8370.0000 -186.10625 -182.07445 4.03180 1.89350 -182.27654 448.89215
8375.0000 -186.60566 -182.21677 4.38890 1.89028 -182.33270 437.67579
8380.0000 -186.16446 -181.94033 4.22413 1.90983 -181.99130 454.59621
8385.0000 -186.35517 -181.83348 4.52169 1.93388 -181.57118 472.47951
8390.0000 -186.88451 -182.31370 4.57081 1.90733 -182.03486 456.13486
8395.0000 -186.27354 -181.87268 4.40086 1.90963 -181.99479 457.02634
8400.0000 -186.21736 -182.04253 4.17483 1.90713 -182.03836 453.46981
8405.0000 -185.62735 -182.03635 3.59100 1.90489 -182.07751 448.79599
8410.0000 -186.14883 -181.97759 4.17124 1.89325 -182.28091 440.25446
8415.0000 -186.53158 -182.66255 3.86903 1.88445 -182.43449 432.04452
8420.0000 -185.80990 -181.31951 4.49039 1.89419 -182.26433 444.16922
8425.0000 -186.28837 -181.72608 4.56228 1.93026 -181.63440 475.74327
8430.0000 -186.35457 -182.33177 4.02281 1.91325 -181.93148 460.29608
8435.0000 -185.75919 -181.59152 4.16767 1.87795 -182.54801 433.35853
8440.0000 -185.70502 -181.47415 4.23087 1.94735 -181.33590 485.07005
8445.0000 -185.83220 -181.28962 4.54257 1.94905 -181.30617 482.70250
8450.0000 -185.80585 -181.45148 4.35436 1.95237 -181.24823 492.54187
8455.0000 -185.52392 -181.15121 4.37271 1.93387 -181.57139 470.80179
8460.0000 -185.55339 -180.84697 4.70642 1.97178 -180.90912 503.34666
8465.0000 -186.51171 -182.15722 4.35449 1.92707 -181.69007 472.94888
8470.0000 -186.07351 -181.95343 4.12008 1.91710 -181.86422 458.04553
8475.0000 -185.59130 -181.26345 4.32785 1.92184 -181.78139 464.73323
8480.0000 -186.13570 -181.88382 4.25188 1.92625 -181.70450 476.15116
8485.0000 -186.19158 -182.08049 4.11108 1.91297 -181.93634 457.77843
8490.0000 -187.23775 -181.65685 5.58089 1.91045 -181.98044 455.87719
8495.0000 -186.61910 -182.16302 4.45607 1.90376 -182.09725 454.38153
8500.0000 -186.74120 -182.67263 4.06856 1.90571 -182.06322 449.31294
FREEZING PROCESS: loop number 35 T-loop= 418.00000000000000
main_MD> interactions number 35 at Temperature= 418.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95315 2.02856 -0.73945
force_rgl> df(natom) -2.34948 -0.77448 1.36009
8505.0000 -186.41921 -182.77303 3.64617 1.87310 -182.63284 425.14024
8510.0000 -186.99701 -183.57006 3.42695 1.84942 -183.04640 405.09135
8515.0000 -186.80839 -182.98613 3.82226 1.81372 -183.66990 378.66287
8520.0000 -186.07235 -182.13418 3.93816 1.86603 -182.75621 414.83604
8525.0000 -187.24166 -183.36041 3.88125 1.86514 -182.77176 416.94952
8530.0000 -186.81930 -182.58806 4.23125 1.87829 -182.54216 423.95813
8535.0000 -186.04903 -182.04695 4.00208 1.87758 -182.55447 429.40690
8540.0000 -187.11663 -183.35633 3.76030 1.85523 -182.94499 404.89757
8545.0000 -186.62621 -182.19442 4.43179 1.85757 -182.90414 411.24649
8550.0000 -186.00368 -181.31532 4.68836 1.92196 -181.77935 461.53710
8555.0000 -186.69968 -182.07568 4.62400 1.89648 -182.22440 443.18731
8560.0000 -186.32501 -181.94930 4.37571 1.90663 -182.04720 455.44849
8565.0000 -185.79192 -182.26716 3.52476 1.90475 -182.07999 450.33085
8570.0000 -186.54305 -182.31705 4.22600 1.87195 -182.65280 421.35707
8575.0000 -186.84779 -182.55464 4.29315 1.88284 -182.46262 437.04773
8580.0000 -187.31394 -183.17744 4.13650 1.84892 -183.05513 407.71274
8585.0000 -187.15622 -183.55440 3.60183 1.81551 -183.63870 378.38670
8590.0000 -186.71717 -183.12493 3.59224 1.82206 -183.52428 384.51635
8595.0000 -186.94903 -182.06604 4.88299 1.89464 -182.25653 443.14039
8600.0000 -185.72825 -181.64156 4.08669 1.92947 -181.64823 473.33496
8605.0000 -186.59547 -182.71824 3.87724 1.90425 -182.08875 455.79454
8610.0000 -187.15824 -183.64555 3.51269 1.85772 -182.90143 412.64771
8615.0000 -187.15718 -183.53301 3.62417 1.80323 -183.85327 367.66886
8620.0000 -187.39778 -183.83771 3.56006 1.81557 -183.63758 380.47305
8625.0000 -187.17441 -183.05370 4.12071 1.82459 -183.48004 389.65870
8630.0000 -186.63900 -182.41924 4.21976 1.88033 -182.50659 433.53426
8635.0000 -186.73217 -183.07610 3.65607 1.87385 -182.61971 424.34369
8640.0000 -186.76814 -183.48620 3.28194 1.82850 -183.41177 388.51201
8645.0000 -186.87572 -183.20988 3.66585 1.81423 -183.66103 378.50986
8650.0000 -186.53320 -182.47516 4.05804 1.86598 -182.75708 417.93874
8655.0000 -186.71264 -182.89150 3.82114 1.87682 -182.56787 426.25684
8660.0000 -186.68578 -182.19996 4.48582 1.88123 -182.49079 431.73276
8665.0000 -187.42596 -183.58860 3.83737 1.82200 -183.52542 382.02458
8670.0000 -186.20077 -182.37562 3.82515 1.84264 -183.16481 397.51635
8675.0000 -186.87838 -182.87217 4.00621 1.88144 -182.48707 433.22718
8680.0000 -186.48816 -182.39384 4.09431 1.88885 -182.35763 438.46366
8685.0000 -187.13201 -183.22207 3.90993 1.85243 -182.99378 412.38826
8690.0000 -186.43523 -182.81505 3.62017 1.87349 -182.62591 432.39278
8695.0000 -185.93484 -181.47177 4.46307 1.92065 -181.80220 466.60121
8700.0000 -187.33803 -183.55676 3.78127 1.87873 -182.53442 426.60735
8705.0000 -186.82327 -182.84863 3.97463 1.83821 -183.24218 399.07515
8710.0000 -186.58213 -182.77949 3.80265 1.87497 -182.60009 423.43438
8715.0000 -186.40959 -182.04676 4.36283 1.86793 -182.72303 426.80637
8720.0000 -186.84928 -183.61341 3.23587 1.89437 -182.26132 438.12797
8725.0000 -186.90642 -183.47587 3.43055 1.81191 -183.70155 375.83630
8730.0000 -186.95150 -183.38824 3.56326 1.84682 -183.09190 406.67157
8735.0000 -187.26954 -183.39864 3.87090 1.83136 -183.36188 394.39963
8740.0000 -187.18717 -184.03291 3.15426 1.82681 -183.44130 390.24542
8745.0000 -187.33782 -182.52458 4.81324 1.83318 -183.33001 388.75122
8750.0000 -187.13046 -182.74429 4.38617 1.88826 -182.36803 439.85552
FREEZING PROCESS: loop number 36 T-loop= 393.00000000000000
main_MD> interactions number 36 at Temperature= 393.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62166 -1.48763 1.27067
force_rgl> df(natom) 0.62785 0.95631 0.37554
8755.0000 -187.29042 -183.86859 3.42183 1.81801 -183.59511 381.43015
8760.0000 -187.09286 -183.23608 3.85677 1.80955 -183.74286 371.64452
8765.0000 -187.38435 -183.52047 3.86388 1.83215 -183.34812 388.47031
8770.0000 -187.22862 -183.82022 3.40840 1.80089 -183.89405 363.39612
8775.0000 -187.31491 -183.98070 3.33421 1.77971 -184.26397 350.58850
8780.0000 -187.06660 -183.76129 3.30531 1.81313 -183.68027 383.37286
8785.0000 -186.99620 -183.00555 3.99066 1.83966 -183.21692 402.50142
8790.0000 -186.97704 -183.32553 3.65151 1.84644 -183.09846 408.37624
8795.0000 -187.82886 -184.73111 3.09775 1.81039 -183.72806 371.49238
8800.0000 -187.62799 -183.86579 3.76219 1.77976 -184.26319 349.73945
8805.0000 -187.33894 -183.29505 4.04389 1.80950 -183.74362 377.78378
8810.0000 -186.45282 -182.48925 3.96357 1.88132 -182.48927 431.30249
8815.0000 -186.96611 -183.48710 3.47901 1.83562 -183.28741 396.58051
8820.0000 -187.12045 -182.93687 4.18359 1.84502 -183.12335 399.25761
8825.0000 -186.00478 -182.89312 3.11165 1.87431 -182.61165 426.99919
8830.0000 -186.46807 -183.09929 3.36878 1.84051 -183.20203 397.76600
8835.0000 -186.89554 -183.07849 3.81706 1.85009 -183.03469 410.35468
8840.0000 -187.35050 -183.46255 3.88795 1.84165 -183.18209 394.35464
8845.0000 -187.55665 -183.25401 4.30265 1.82803 -183.41997 387.61228
8850.0000 -186.74490 -182.57357 4.17133 1.86089 -182.84603 416.88235
8855.0000 -187.30581 -183.15206 4.15375 1.84327 -183.15389 405.92537
8860.0000 -186.96004 -183.48648 3.47356 1.83375 -183.32008 391.16672
8865.0000 -187.22466 -183.55538 3.66928 1.81744 -183.60502 380.12530
8870.0000 -187.74412 -184.67022 3.07390 1.80008 -183.90815 366.14688
8875.0000 -187.29614 -183.56655 3.72959 1.79579 -183.98314 361.82055
8880.0000 -187.71817 -183.68187 4.03630 1.81106 -183.71637 373.10991
8885.0000 -186.73616 -183.47537 3.26079 1.82586 -183.45788 383.13682
8890.0000 -187.03925 -183.58949 3.44976 1.82839 -183.41369 388.13299
8895.0000 -186.83914 -183.57482 3.26432 1.82519 -183.46966 387.40026
8900.0000 -187.45135 -183.79737 3.65398 1.81284 -183.68536 376.80062
8905.0000 -186.55078 -182.53573 4.01505 1.83521 -183.29461 392.50659
8910.0000 -187.37204 -183.96163 3.41042 1.84349 -183.14991 405.47135
8915.0000 -186.33569 -182.68241 3.65328 1.81911 -183.57576 381.98092
8920.0000 -187.38349 -183.43688 3.94661 1.87122 -182.66561 425.21117
8925.0000 -187.55563 -183.48536 4.07027 1.80242 -183.86742 373.11230
8930.0000 -186.64380 -183.30176 3.34203 1.82205 -183.52448 383.67257
8935.0000 -187.14391 -183.32321 3.82070 1.82568 -183.46112 386.45897
8940.0000 -187.08492 -183.82913 3.25579 1.81660 -183.61971 379.80165
8945.0000 -186.90326 -183.10353 3.79972 1.82769 -183.42591 386.60364
8950.0000 -186.88431 -183.02831 3.85600 1.83610 -183.27900 395.83718
8955.0000 -187.04201 -183.18780 3.85421 1.84294 -183.15959 401.31566
8960.0000 -187.11653 -183.71902 3.39751 1.82473 -183.47764 387.65212
8965.0000 -187.14486 -183.95219 3.19266 1.77960 -184.26593 345.61865
8970.0000 -187.59718 -184.43084 3.16634 1.78686 -184.13919 354.42906
8975.0000 -187.16985 -184.00616 3.16369 1.79912 -183.92494 367.69222
8980.0000 -186.33258 -183.00967 3.32291 1.82274 -183.51237 382.08640
8985.0000 -187.41733 -183.76853 3.64880 1.81624 -183.62599 384.05143
8990.0000 -186.66451 -183.39004 3.27447 1.81822 -183.59139 378.81862
8995.0000 -187.65082 -183.82278 3.82804 1.81278 -183.68641 376.13816
9000.0000 -187.24093 -183.24806 3.99288 1.82679 -183.44168 386.24723
FREEZING PROCESS: loop number 37 T-loop= 368.00000000000000
main_MD> interactions number 37 at Temperature= 368.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.08905 -0.28847 -0.50802
force_rgl> df(natom) -1.73783 0.79449 -0.61109
9005.0000 -187.43197 -183.99291 3.43906 1.82408 -183.48905 390.23977
9010.0000 -186.70621 -183.73451 2.97170 1.79223 -184.04541 358.10320
9015.0000 -186.97911 -183.58866 3.39045 1.81227 -183.69538 377.04184
9020.0000 -187.88412 -184.72560 3.15852 1.79382 -184.01756 357.11385
9025.0000 -187.43359 -184.29159 3.14201 1.76354 -184.54654 334.71450
9030.0000 -187.60339 -184.01008 3.59331 1.80024 -183.90541 371.57742
9035.0000 -186.52486 -183.22685 3.29801 1.80453 -183.83046 367.88958
9040.0000 -186.78198 -184.01138 2.77060 1.80827 -183.76523 376.72857
9045.0000 -187.25165 -184.08156 3.17009 1.78544 -184.16387 359.47340
9050.0000 -187.21822 -183.69457 3.52365 1.80831 -183.76444 375.86991
9055.0000 -188.03941 -184.66249 3.37692 1.79981 -183.91292 367.51718
9060.0000 -187.72455 -184.42195 3.30260 1.77784 -184.29666 346.81965
9065.0000 -188.04104 -184.87194 3.16910 1.74708 -184.83392 320.98234
9070.0000 -187.51124 -183.46963 4.04161 1.79307 -184.03069 355.85908
9075.0000 -186.98664 -183.45146 3.53518 1.82567 -183.46123 384.49694
9080.0000 -187.61213 -184.35571 3.25642 1.80248 -183.86639 366.36423
9085.0000 -187.21491 -183.52879 3.68612 1.80519 -183.81901 368.86863
9090.0000 -187.28586 -183.67685 3.60901 1.80895 -183.75332 373.83037
9095.0000 -186.78022 -183.53482 3.24540 1.81638 -183.62346 380.03426
9100.0000 -187.30260 -183.22616 4.07644 1.86583 -182.75981 424.16163
9105.0000 -187.85254 -184.87640 2.97613 1.78594 -184.15528 353.23128
9110.0000 -187.13795 -184.18194 2.95601 1.76382 -184.54155 335.42232
9115.0000 -187.32836 -184.32812 3.00024 1.77598 -184.32914 346.37820
9120.0000 -187.31632 -183.08542 4.23090 1.80784 -183.77275 373.03951
9125.0000 -187.57819 -183.76199 3.81620 1.82088 -183.54493 381.81538
9130.0000 -187.47226 -184.09966 3.37260 1.81427 -183.66041 376.18631
9135.0000 -187.26650 -183.96517 3.30133 1.80343 -183.84970 367.61068
9140.0000 -186.83932 -183.13404 3.70528 1.83934 -183.22250 396.29665
9145.0000 -186.37016 -183.17077 3.19939 1.83554 -183.28891 394.57044
9150.0000 -187.55861 -184.26545 3.29317 1.81576 -183.63428 380.28626
9155.0000 -186.91750 -183.40603 3.51147 1.82910 -183.40132 385.48229
9160.0000 -187.15301 -183.69305 3.45996 1.80915 -183.74979 372.66448
9165.0000 -187.43505 -184.06378 3.37127 1.80636 -183.79854 373.27270
9170.0000 -187.22876 -183.24614 3.98262 1.81220 -183.69646 376.64386
9175.0000 -187.47485 -183.66602 3.80883 1.81665 -183.61886 377.33887
9180.0000 -187.22222 -183.44051 3.78171 1.81976 -183.56448 382.98338
9185.0000 -187.55451 -183.82217 3.73233 1.80950 -183.74376 372.59331
9190.0000 -187.03849 -183.65052 3.38797 1.81172 -183.70491 378.35673
9195.0000 -186.97295 -184.26071 2.71224 1.79301 -184.03173 359.21820
9200.0000 -187.11725 -183.84035 3.27690 1.81092 -183.71897 374.92149
9205.0000 -187.93804 -184.26700 3.67104 1.78711 -184.13481 355.61708
9210.0000 -187.79687 -184.10036 3.69651 1.78702 -184.13634 352.77188
9215.0000 -186.89316 -183.44976 3.44340 1.81968 -183.56584 383.87537
9220.0000 -186.90240 -183.34771 3.55469 1.83355 -183.32367 398.70277
9225.0000 -187.69013 -183.80614 3.88399 1.83352 -183.32419 397.50940
9230.0000 -187.73696 -184.00011 3.73685 1.79511 -183.99503 364.48532
9235.0000 -187.61908 -183.90290 3.71618 1.81581 -183.63341 378.18078
9240.0000 -187.76864 -184.36141 3.40723 1.79395 -184.01532 359.55132
9245.0000 -187.74420 -184.12267 3.62153 1.78977 -184.08835 356.54700
9250.0000 -187.87872 -184.37670 3.50201 1.81861 -183.58462 379.03120
FREEZING PROCESS: loop number 38 T-loop= 343.00000000000000
main_MD> interactions number 38 at Temperature= 343.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02039 1.45149 -0.82298
force_rgl> df(natom) -1.00472 -1.46271 3.19210
9255.0000 -187.67573 -184.55219 3.12355 1.78338 -184.19996 351.63081
9260.0000 -187.87679 -184.70996 3.16683 1.74623 -184.84876 320.66408
9265.0000 -187.58858 -184.43376 3.15482 1.76057 -184.59840 331.62370
9270.0000 -186.79989 -183.75645 3.04344 1.79367 -184.02022 358.24728
9275.0000 -187.79640 -184.13639 3.66002 1.80359 -183.84689 371.45204
9280.0000 -187.27713 -184.31685 2.96028 1.77476 -184.35048 341.26940
9285.0000 -187.71525 -184.39802 3.31724 1.76630 -184.49828 335.96077
9290.0000 -187.57148 -184.15909 3.41239 1.78278 -184.21036 350.97001
9295.0000 -187.74335 -184.68025 3.06310 1.77902 -184.27604 348.09712
9300.0000 -187.99381 -184.99325 3.00056 1.75351 -184.72163 326.85747
9305.0000 -187.67096 -184.48900 3.18196 1.75373 -184.71789 324.81605
9310.0000 -187.53497 -183.92567 3.60929 1.77365 -184.36995 343.20766
9315.0000 -187.51484 -184.52423 2.99061 1.74629 -184.84779 319.45403
9320.0000 -187.53125 -184.03201 3.49925 1.76799 -184.46866 337.01814
9325.0000 -187.06353 -183.36697 3.69656 1.81292 -183.68393 380.73622
9330.0000 -187.24235 -184.07454 3.16781 1.80407 -183.83856 371.67361
9335.0000 -187.58755 -184.57727 3.01028 1.76499 -184.52116 337.28637
9340.0000 -187.65827 -184.56206 3.09621 1.77140 -184.40909 342.69201
9345.0000 -188.02603 -184.73601 3.29002 1.75111 -184.76362 325.84710
9350.0000 -187.96546 -184.99697 2.96849 1.75943 -184.61830 330.85173
9355.0000 -187.19185 -184.23839 2.95346 1.76543 -184.51352 335.02881
9360.0000 -187.64938 -183.78993 3.85945 1.77909 -184.27482 347.34230
9365.0000 -187.59361 -183.70623 3.88737 1.81116 -183.71474 377.55344
9370.0000 -188.01014 -184.67583 3.33431 1.78797 -184.11970 354.09403
9375.0000 -188.15001 -184.85821 3.29180 1.75733 -184.65492 327.88285
9380.0000 -187.33938 -184.08820 3.25119 1.78135 -184.23532 348.97997
9385.0000 -187.29096 -183.72167 3.56929 1.80216 -183.87192 367.32408
9390.0000 -187.37931 -183.89207 3.48723 1.80619 -183.80150 368.58995
9395.0000 -187.34237 -183.96283 3.37954 1.78514 -184.16912 353.96421
9400.0000 -187.56813 -183.88505 3.68308 1.81512 -183.64550 377.80231
9405.0000 -187.37304 -184.37305 2.99999 1.79700 -183.96205 363.11596
9410.0000 -187.27002 -183.87756 3.39246 1.78787 -184.12158 352.57281
9415.0000 -187.46300 -183.85413 3.60887 1.79851 -183.93567 362.68582
9420.0000 -187.45447 -184.30675 3.14772 1.80332 -183.85158 369.68497
9425.0000 -187.07248 -183.36522 3.70725 1.80790 -183.77166 374.29211
9430.0000 -187.35391 -183.89445 3.45946 1.83088 -183.37027 393.17377
9435.0000 -187.96261 -185.06178 2.90083 1.78393 -184.19025 354.91176
9440.0000 -187.54770 -184.67133 2.87637 1.74917 -184.79751 322.07251
9445.0000 -187.40484 -184.53289 2.87195 1.74300 -184.90529 316.79628
9450.0000 -187.61661 -184.17486 3.44175 1.76426 -184.53383 332.94584
9455.0000 -187.58242 -184.29486 3.28756 1.76267 -184.56170 332.65453
9460.0000 -187.38317 -183.85976 3.52342 1.78830 -184.11407 351.58994
9465.0000 -187.65171 -184.12502 3.52668 1.82025 -183.55599 384.62341
9470.0000 -187.41394 -184.03908 3.37486 1.79489 -183.99895 359.68646
9475.0000 -188.12881 -184.63952 3.48929 1.77232 -184.39307 340.87908
9480.0000 -187.40144 -183.86482 3.53662 1.80338 -183.85057 368.28436
9485.0000 -186.60203 -183.37182 3.23021 1.79810 -183.94287 364.97527
9490.0000 -187.60646 -184.46690 3.13956 1.79371 -184.01953 361.47154
9495.0000 -187.15818 -183.61339 3.54479 1.79046 -184.07631 356.93697
9500.0000 -187.13470 -183.91363 3.22107 1.81901 -183.57749 380.31131
FREEZING PROCESS: loop number 39 T-loop= 318.00000000000000
main_MD> interactions number 39 at Temperature= 318.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83096 0.04617 -1.70717
force_rgl> df(natom) -0.78235 0.24049 0.67413
9505.0000 -187.85264 -184.55686 3.29578 1.78956 -184.09189 358.84814
9510.0000 -187.71371 -184.41375 3.29997 1.75868 -184.63127 333.02512
9515.0000 -187.43137 -184.58735 2.84402 1.77382 -184.36690 342.69329
9520.0000 -187.37148 -184.72870 2.64278 1.74369 -184.89323 316.39187
9525.0000 -187.88311 -185.28744 2.59567 1.74061 -184.94692 313.26555
9530.0000 -188.14437 -184.90958 3.23479 1.72986 -185.13470 304.67950
9535.0000 -187.62929 -184.88167 2.74762 1.74063 -184.94667 313.84759
9540.0000 -188.21859 -185.47227 2.74632 1.72427 -185.23237 303.95957
9545.0000 -187.89670 -185.17800 2.71870 1.72746 -185.17665 303.13443
9550.0000 -187.59878 -185.04959 2.54918 1.71900 -185.32441 295.89015
9555.0000 -187.47008 -184.74761 2.72246 1.73791 -184.99416 313.55502
9560.0000 -188.33526 -185.47153 2.86373 1.73179 -185.10096 306.56409
9565.0000 -187.78646 -185.18398 2.60248 1.70783 -185.51951 286.47030
9570.0000 -187.99799 -184.91957 3.07841 1.73086 -185.11724 302.22003
9575.0000 -187.97890 -185.31061 2.66830 1.73400 -185.06252 310.44798
9580.0000 -188.41217 -185.37601 3.03616 1.71518 -185.39109 290.58090
9585.0000 -187.67687 -185.16388 2.51299 1.73632 -185.02192 312.55698
9590.0000 -187.31396 -184.69196 2.62200 1.72426 -185.23256 301.05180
9595.0000 -187.89262 -184.61636 3.27625 1.76619 -184.50011 339.28118
9600.0000 -187.42986 -184.82857 2.60129 1.74054 -184.94814 318.09685
9605.0000 -187.93999 -184.34247 3.59752 1.77163 -184.40515 342.53372
9610.0000 -187.43257 -184.55052 2.88205 1.76557 -184.51108 337.82818
9615.0000 -188.03357 -185.09625 2.93732 1.73357 -185.06986 308.87160
9620.0000 -187.96517 -185.09315 2.87203 1.71722 -185.35555 298.42016
9625.0000 -187.89845 -183.83831 4.06014 1.76364 -184.54474 334.21217
9630.0000 -187.67516 -184.29906 3.37610 1.76893 -184.45236 340.40058
9635.0000 -187.45202 -184.34948 3.10254 1.77824 -184.28966 344.71934
9640.0000 -187.56176 -184.87135 2.69041 1.76654 -184.49403 334.44200
9645.0000 -188.12312 -185.36745 2.75566 1.74006 -184.95652 313.89888
9650.0000 -188.23634 -184.99372 3.24262 1.72634 -185.19624 300.63830
9655.0000 -187.96137 -184.93435 3.02702 1.73381 -185.06574 309.78856
9660.0000 -188.08196 -184.82093 3.26103 1.73411 -185.06056 309.79208
9665.0000 -187.78648 -184.28010 3.50638 1.78005 -184.25809 352.65922
9670.0000 -188.17624 -185.01563 3.16060 1.77211 -184.39672 342.67277
9675.0000 -187.37737 -184.22579 3.15158 1.74304 -184.90462 318.95640
9680.0000 -188.05477 -184.83872 3.21605 1.77574 -184.33338 348.11026
9685.0000 -187.85910 -184.97353 2.88557 1.72805 -185.16640 303.15225
9690.0000 -186.99350 -184.04810 2.94540 1.76294 -184.55697 332.88374
9695.0000 -187.34908 -184.25001 3.09907 1.76810 -184.46690 334.04325
9700.0000 -187.83819 -184.81929 3.01890 1.75698 -184.66106 327.66502
9705.0000 -187.87696 -184.43695 3.44000 1.75712 -184.65864 328.56301
9710.0000 -187.75816 -184.83486 2.92330 1.75448 -184.70480 326.67176
9715.0000 -188.03682 -185.05435 2.98247 1.73428 -185.05755 306.61164
9720.0000 -188.01501 -185.03175 2.98326 1.73297 -185.08036 306.93682
9725.0000 -187.32856 -184.35847 2.97009 1.75192 -184.74943 323.62742
9730.0000 -187.77131 -184.42873 3.34258 1.76803 -184.46807 339.70772
9735.0000 -187.70010 -184.75622 2.94389 1.77028 -184.42873 339.41986
9740.0000 -187.92076 -184.40159 3.51916 1.75109 -184.76384 323.51327
9745.0000 -187.99168 -184.61446 3.37722 1.77453 -184.35447 346.46527
9750.0000 -187.88416 -184.94913 2.93503 1.75648 -184.66975 328.18149
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 7.5572026 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink