549 lines
53 KiB
Plaintext
549 lines
53 KiB
Plaintext
main_MD> Reading input file
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read_input> Process type: melting
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Read_input> Process caloric with a T-change of 100.00000000000000 [K] and a rate of 3.9999999999999997E+023 [K/ns]
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read_input> Input for metadynamics has been read
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read_input> Metadynamics has not been chosen.
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read_input> Reading initial positions fromtoMelt_82.xyz
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read_input> Finish reading initial positions
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read_input> Validating positions
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read_input> Initializing random number generator
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read_input> Checking program
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read_rgl> START READING FILE ../pot.pot
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read_rgl>> END READING FILE ../pot.pot
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READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
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READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
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read_rgl> PARAMETERS SELECTION
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FOR IMET1 :: Ag 4
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ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
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p :: 10.850000000000000 q :: 3.1800000000000002
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ATOMIC RADIUS :: 1.4450000999999999
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choice_pot> values:
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frac = 0.12062503764379931 arete = 4.0870774781009569
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choice_pot> mass is== 108.00000000000000 for elem1=
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read_input> ntipo1 = 82 ntipo2 = 0
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read_input> Finish reading input
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main_MD> Allocating global variables
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main_MD> Number of outputs that will be created: 450
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main_MD> Size of nv and nvoiz: 82 8200
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main_MD> Size of nv and nvoiz: 82 8200
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main_MD> Number of time-steps (npas) = 50000
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main_MD> Number of CVs (num_cv) = 1
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main_MD> Max allowed number of atoms = 2900
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main_MD> Max number of atoms = 82
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main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
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main_MD> collvar_wanted = F
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main_MD> INPUT AND POTENTIAL FILE READING IS DONE
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main_MD> THERMALIZATION IS STARTING
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init> 7.8601945477443147E-002 -1.7068570749010630E-003 4.0742722797764627E-002 initial drift of cluster / NP1 for coalescence
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init> 0.32644554508765938 0.33097923498119142 0.29389450074457779 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8534067712265747E-003
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preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
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preparo> END t=0 TIME STEP
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.73617 1.85427 -0.48527
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force_rgl> df(natom) -0.02869 1.36514 1.18630
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preparo> THERMALIZATION PROCESS AT 297.72959181653130
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -207.52220967283722 3.8219385979136757 -211.34414827075091 3.8434870446918618E-004
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preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
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main_MD> Time-loop is starting for melting
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main_MD> Now the computation of EXECUTION TIME starts
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main_MD> Running from loop 1 to 9
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MELTING PROCESS: loop number 1 T-loop= 398.00000000000000
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main_MD> interactions number 1 at Temperature= 398.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.25502 -0.08956 -0.72850
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force_rgl> df(natom) 1.51509 1.99128 0.93381
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5.0000 -210.19876 -205.24765 4.95111 1.85194 -206.94561 342.01809
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10.0000 -210.56884 -206.26435 4.30449 1.93776 -205.32575 411.22639
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15.0000 -209.11175 -205.25670 3.85505 1.92612 -205.54542 396.54143
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20.0000 -209.62318 -205.22435 4.39884 1.94629 -205.16472 427.05791
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25.0000 -210.15638 -206.05186 4.10453 1.90610 -205.92331 397.00776
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30.0000 -210.52988 -205.78736 4.74253 1.90779 -205.89143 396.24466
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35.0000 -210.57721 -206.59406 3.98315 1.89096 -206.20898 385.90671
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40.0000 -210.28883 -206.48303 3.80580 1.86667 -206.66748 363.17888
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45.0000 -210.78857 -206.41311 4.37546 1.90142 -206.01161 394.25141
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50.0000 -209.67208 -206.05321 3.61887 1.91539 -205.74798 403.09149
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55.0000 -210.53773 -206.32882 4.20891 1.89757 -206.08421 392.48934
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60.0000 -209.94609 -206.02833 3.91776 1.86981 -206.60833 364.65754
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65.0000 -209.38324 -204.63246 4.75078 1.94859 -205.12135 431.13185
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70.0000 -210.42768 -205.83757 4.59011 1.94350 -205.21736 427.85624
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75.0000 -209.76878 -205.71977 4.04901 1.90006 -206.03735 392.33168
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80.0000 -210.04609 -204.90912 5.13698 1.94264 -205.23353 422.38120
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85.0000 -209.88633 -205.50624 4.38008 1.96325 -204.84456 442.34503
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90.0000 -209.40449 -205.10387 4.30062 1.94644 -205.16180 427.78630
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95.0000 -209.88789 -204.04958 5.83831 1.96881 -204.73960 440.96378
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100.0000 -209.44846 -204.53633 4.91213 1.97330 -204.65491 439.38482
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105.0000 -209.94616 -205.72910 4.21706 1.94656 -205.15953 418.52544
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110.0000 -210.20311 -205.64776 4.55535 1.90709 -205.90450 401.31110
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115.0000 -209.60307 -205.67795 3.92511 1.89155 -206.19791 386.33054
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120.0000 -210.13226 -206.02506 4.10720 1.92794 -205.51097 411.31244
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125.0000 -210.09174 -206.28199 3.80976 1.89746 -206.08632 384.35932
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130.0000 -210.64192 -206.52409 4.11783 1.89212 -206.18719 378.80361
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135.0000 -210.27382 -205.54669 4.72713 1.92077 -205.64642 409.44930
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140.0000 -210.61881 -206.24671 4.37210 1.91754 -205.70742 408.65776
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145.0000 -209.81599 -205.89974 3.91625 1.87971 -206.42131 381.23023
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150.0000 -210.52876 -206.34949 4.17927 1.90176 -206.00523 398.80907
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155.0000 -210.33287 -205.61191 4.72095 1.89193 -206.19081 386.57599
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160.0000 -210.12993 -205.83877 4.29116 1.92410 -205.58349 406.41794
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165.0000 -210.48074 -205.66717 4.81357 1.90445 -205.95449 401.15102
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170.0000 -210.87550 -206.11888 4.75662 1.88510 -206.31958 387.21343
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175.0000 -211.28640 -207.39383 3.89257 1.87169 -206.57269 372.04892
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180.0000 -210.83752 -206.84410 3.99342 1.84873 -207.00608 352.26203
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185.0000 -209.92197 -205.89301 4.02896 1.88463 -206.32860 381.92258
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190.0000 -209.74763 -206.32265 3.42498 1.93677 -205.34441 421.00018
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195.0000 -210.40826 -205.90406 4.50420 1.88717 -206.28063 378.69973
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200.0000 -210.30340 -205.50712 4.79628 1.91799 -205.69886 408.10701
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205.0000 -210.13760 -206.08667 4.05093 1.89981 -206.04198 390.49432
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210.0000 -211.22187 -206.42647 4.79540 1.87422 -206.52509 372.66680
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215.0000 -209.95397 -204.98076 4.97321 1.90682 -205.90969 400.28911
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220.0000 -209.43745 -205.47768 3.95976 1.93240 -205.42683 414.70350
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225.0000 -209.90209 -205.46907 4.43301 1.92847 -205.50104 409.38688
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230.0000 -210.07568 -205.67776 4.39792 1.92661 -205.53622 417.09439
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235.0000 -209.81792 -205.74959 4.06832 1.90444 -205.95453 395.55178
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240.0000 -210.20167 -206.38190 3.81978 1.89906 -206.05611 383.98544
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245.0000 -209.80266 -205.37672 4.42594 1.90453 -205.95288 393.45094
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250.0000 -210.02029 -205.92816 4.09213 1.92605 -205.54676 404.25759
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MELTING PROCESS: loop number 2 T-loop= 498.00000000000000
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main_MD> interactions number 2 at Temperature= 498.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.84250 0.65214 0.52574
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force_rgl> df(natom) 0.73960 0.10478 -1.17537
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255.0000 -209.29957 -203.59243 5.70714 1.97501 -204.62257 446.35969
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260.0000 -209.70777 -204.65764 5.05013 2.01346 -203.89687 481.13140
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265.0000 -207.98055 -202.90605 5.07450 2.03201 -203.54673 498.40635
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270.0000 -208.99734 -204.06217 4.93518 2.03281 -203.53160 498.78994
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275.0000 -208.65627 -203.88206 4.77421 1.99026 -204.33474 474.65270
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280.0000 -208.78717 -202.94342 5.84375 2.04068 -203.38322 502.43795
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285.0000 -208.76013 -202.76446 5.99567 2.09102 -202.43291 549.87363
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290.0000 -208.29305 -202.34948 5.94357 2.08237 -202.59636 530.54352
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295.0000 -207.49786 -201.43673 6.06113 2.09196 -202.41530 517.22924
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300.0000 -206.97134 -200.98666 5.98467 2.16658 -201.00691 559.14437
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305.0000 -207.93017 -202.51982 5.41035 2.10783 -202.11580 499.83026
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310.0000 -206.97453 -200.83785 6.13668 2.13149 -201.66906 517.15641
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315.0000 -208.01873 -202.08862 5.93011 2.14633 -201.38896 544.14478
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320.0000 -207.19401 -202.07918 5.11483 2.10947 -202.08486 501.68726
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325.0000 -207.72368 -202.42217 5.30150 2.10155 -202.23416 470.58462
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330.0000 -207.18475 -201.90837 5.27638 2.13250 -201.65018 507.44198
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335.0000 -208.25739 -201.94809 6.30930 2.13014 -201.69460 524.39796
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340.0000 -207.84243 -201.26932 6.57311 2.15014 -201.31713 546.84695
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345.0000 -206.74690 -200.14761 6.59929 2.20208 -200.33680 571.26106
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350.0000 -207.35240 -201.68487 5.66753 2.17001 -200.94207 531.75520
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355.0000 -206.89591 -201.36996 5.52595 2.16918 -200.95786 524.95357
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360.0000 -206.94944 -201.47511 5.47433 2.16690 -201.00084 530.07884
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365.0000 -207.89708 -203.05575 4.84133 2.09626 -202.33405 486.22873
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370.0000 -207.13177 -202.13838 4.99338 2.09905 -202.28146 499.45927
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375.0000 -207.68949 -202.52711 5.16238 2.08787 -202.49239 493.43961
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380.0000 -207.92946 -201.58265 6.34681 2.11688 -201.94493 525.71504
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385.0000 -206.98707 -201.63540 5.35167 2.15173 -201.28719 533.06452
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390.0000 -206.07139 -200.61931 5.45207 2.15614 -201.20385 534.14273
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395.0000 -208.01762 -202.86627 5.15135 2.12739 -201.74658 507.02178
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400.0000 -207.65227 -202.51797 5.13430 2.08920 -202.46744 494.30446
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405.0000 -207.87614 -203.21399 4.66215 2.06751 -202.87672 458.93882
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410.0000 -207.95214 -203.31014 4.64200 2.05385 -203.13464 457.11201
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415.0000 -207.35898 -202.48015 4.87883 2.04851 -203.23544 444.36905
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420.0000 -207.27269 -203.11348 4.15921 2.06314 -202.95925 454.30353
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425.0000 -209.04976 -204.55673 4.49304 2.02620 -203.65643 436.18372
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430.0000 -207.77647 -202.89786 4.87861 2.01283 -203.90877 427.43290
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435.0000 -207.50964 -202.17080 5.33884 2.08296 -202.58517 467.58246
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440.0000 -206.82731 -201.48088 5.34643 2.13155 -201.66807 501.42705
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445.0000 -206.67889 -202.17505 4.50384 2.13814 -201.54368 517.01812
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450.0000 -207.47125 -202.48162 4.98963 2.11255 -202.02656 485.98000
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455.0000 -208.62077 -202.63500 5.98576 2.10061 -202.25202 490.45876
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460.0000 -207.19241 -202.44587 4.74654 2.09374 -202.38165 490.17603
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465.0000 -207.57540 -202.72458 4.85082 2.08825 -202.48521 513.90270
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470.0000 -208.28208 -203.45215 4.82993 2.07346 -202.76442 507.43026
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475.0000 -207.73456 -203.39659 4.33797 2.01031 -203.95639 459.83815
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480.0000 -207.86434 -202.69222 5.17213 2.06374 -202.94797 478.83204
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485.0000 -208.54936 -202.90566 5.64370 2.05490 -203.11478 483.40038
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490.0000 -208.15606 -201.71473 6.44133 2.07367 -202.76044 526.74374
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495.0000 -208.39216 -201.82201 6.57015 2.07862 -202.66706 515.66319
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500.0000 -208.29041 -202.54028 5.75013 2.10941 -202.08599 527.65559
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MELTING PROCESS: loop number 3 T-loop= 598.00000000000000
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main_MD> interactions number 3 at Temperature= 598.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.86504 -0.86327 -0.69649
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force_rgl> df(natom) 0.76384 -0.76650 -0.45897
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505.0000 -206.83504 -200.64495 6.19009 2.17470 -200.85361 573.72074
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510.0000 -205.06094 -199.00056 6.06038 2.24579 -199.51172 583.71422
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515.0000 -205.56959 -199.78490 5.78469 2.28366 -198.79699 583.95651
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520.0000 -205.50798 -198.70706 6.80092 2.24584 -199.51086 579.16857
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525.0000 -205.91505 -199.70580 6.20925 2.27118 -199.03249 594.41261
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530.0000 -205.07277 -199.15654 5.91623 2.24745 -199.48046 585.08560
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535.0000 -205.89957 -197.94676 7.95281 2.29376 -198.60639 639.53503
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540.0000 -205.16693 -198.43356 6.73336 2.33084 -197.90656 647.73343
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545.0000 -205.15341 -198.98574 6.16767 2.30972 -198.30506 622.36763
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550.0000 -205.80882 -199.87269 5.93612 2.27974 -198.87104 612.77751
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555.0000 -207.14544 -200.90582 6.23962 2.22117 -199.97656 578.35181
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560.0000 -206.51373 -200.23036 6.28337 2.17718 -200.80680 555.27973
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565.0000 -206.73515 -199.48679 7.24836 2.22580 -199.88914 568.42697
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570.0000 -205.73157 -198.44346 7.28811 2.26805 -199.09170 597.26252
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575.0000 -206.35387 -200.04085 6.31302 2.25834 -199.27499 587.41708
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580.0000 -205.11583 -197.71917 7.39666 2.29100 -198.65850 620.89271
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585.0000 -203.69942 -198.14490 5.55452 2.31522 -198.20135 609.54354
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590.0000 -205.17116 -197.99472 7.17644 2.32932 -197.93512 621.23516
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595.0000 -204.07376 -197.56705 6.50672 2.31336 -198.23635 625.47950
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600.0000 -205.17637 -198.17907 6.99729 2.30303 -198.43144 615.49955
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605.0000 -205.90056 -198.71874 7.18182 2.30469 -198.40017 612.90296
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610.0000 -205.65471 -199.41081 6.24391 2.23749 -199.66844 570.53617
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615.0000 -205.22927 -199.05618 6.17310 2.24238 -199.57609 574.54901
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620.0000 -204.18295 -198.45193 5.73102 2.28742 -198.72608 606.24025
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625.0000 -205.38104 -199.54529 5.83575 2.30261 -198.43930 618.12787
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630.0000 -205.36235 -199.28612 6.07623 2.25397 -199.35742 594.05344
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635.0000 -205.94343 -199.23027 6.71317 2.28036 -198.85924 613.79537
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640.0000 -205.59825 -199.28103 6.31722 2.24705 -199.48793 579.17593
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645.0000 -206.41936 -199.38514 7.03422 2.26470 -199.15484 596.67694
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650.0000 -205.81115 -199.32093 6.49022 2.26577 -199.13471 584.81208
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655.0000 -205.20967 -199.28618 5.92349 2.28293 -198.81071 613.61630
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660.0000 -205.86583 -199.95475 5.91108 2.25968 -199.24966 603.78262
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665.0000 -205.61687 -199.14421 6.47265 2.25874 -199.26740 580.25799
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670.0000 -205.08270 -199.35211 5.73059 2.25021 -199.42844 577.39643
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675.0000 -205.90069 -200.54011 5.36058 2.21239 -200.14223 553.12884
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680.0000 -205.31964 -198.93804 6.38159 2.22337 -199.93498 558.70835
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685.0000 -204.76231 -197.82955 6.93275 2.32118 -198.08885 627.24053
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690.0000 -203.74283 -197.30081 6.44202 2.31361 -198.23165 612.67933
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695.0000 -204.69075 -198.39949 6.29125 2.31049 -198.29067 615.09484
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700.0000 -205.46607 -198.16974 7.29633 2.30721 -198.35261 624.47050
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705.0000 -204.22780 -198.40081 5.82698 2.31404 -198.22358 624.51944
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710.0000 -206.32888 -199.86975 6.45913 2.24402 -199.54520 590.80944
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715.0000 -205.13796 -199.54042 5.59754 2.24085 -199.60496 599.61564
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720.0000 -205.16690 -198.61170 6.55519 2.28017 -198.86292 613.56239
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725.0000 -205.45748 -198.98194 6.47554 2.31574 -198.19144 612.75151
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730.0000 -204.86278 -198.54296 6.31982 2.28953 -198.68628 604.47681
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735.0000 -207.54229 -201.38855 6.15374 2.21469 -200.09888 547.74513
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740.0000 -207.10579 -200.71612 6.38967 2.16841 -200.97234 509.96579
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745.0000 -206.31072 -199.93916 6.37155 2.21873 -200.02246 563.86233
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750.0000 -206.12553 -200.13717 5.98836 2.20385 -200.30331 554.23884
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MELTING PROCESS: loop number 4 T-loop= 698.00000000000000
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main_MD> interactions number 4 at Temperature= 698.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.61743 -0.11607 1.82136
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force_rgl> df(natom) 0.27375 -1.93847 2.71721
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755.0000 -205.02467 -198.80977 6.21490 2.25806 -199.28027 605.84345
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760.0000 -205.12095 -198.28688 6.83406 2.31073 -198.28615 652.10386
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765.0000 -204.28122 -197.07086 7.21036 2.35436 -197.46262 656.70037
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770.0000 -203.35806 -196.51911 6.83895 2.43036 -196.02815 705.05726
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775.0000 -205.21301 -197.74908 7.46393 2.37876 -197.00213 666.10881
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780.0000 -205.18445 -198.00663 7.17782 2.33640 -197.80153 671.85785
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785.0000 -204.38054 -196.69566 7.68488 2.34516 -197.63618 669.57888
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790.0000 -204.12997 -196.20208 7.92789 2.41163 -196.38173 702.28758
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795.0000 -203.68124 -196.38287 7.29837 2.43118 -196.01255 701.89437
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800.0000 -204.39677 -197.02380 7.37297 2.39967 -196.60738 691.48492
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805.0000 -202.93836 -195.98594 6.95242 2.38133 -196.95353 670.53750
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810.0000 -203.09199 -195.41534 7.67665 2.42677 -196.09587 696.08942
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|
815.0000 -202.95364 -194.99367 7.95997 2.43250 -195.98780 687.85681
|
|
820.0000 -204.03038 -196.05637 7.97401 2.45316 -195.59771 709.05049
|
|
825.0000 -202.21658 -196.23303 5.98355 2.41148 -196.38452 663.84578
|
|
830.0000 -203.92263 -196.08071 7.84193 2.44340 -195.78202 684.88728
|
|
835.0000 -203.69688 -196.94481 6.75207 2.38862 -196.81603 658.16455
|
|
840.0000 -202.81844 -194.86336 7.95508 2.48657 -194.96713 716.09211
|
|
845.0000 -203.52442 -196.59202 6.93241 2.46321 -195.40814 708.94308
|
|
850.0000 -202.91969 -196.72634 6.19335 2.38646 -196.85678 656.97007
|
|
855.0000 -204.15700 -197.51002 6.64699 2.36225 -197.31361 643.76598
|
|
860.0000 -203.40230 -196.09952 7.30278 2.39443 -196.70634 659.99495
|
|
865.0000 -204.04615 -196.95156 7.09459 2.41291 -196.35751 680.70378
|
|
870.0000 -204.82116 -197.46587 7.35530 2.39803 -196.63827 672.65222
|
|
875.0000 -203.35515 -196.37474 6.98040 2.38464 -196.89110 639.09224
|
|
880.0000 -204.49141 -197.50739 6.98402 2.39050 -196.78047 654.25573
|
|
885.0000 -202.77488 -195.29938 7.47551 2.42065 -196.21139 715.74919
|
|
890.0000 -202.14747 -195.46632 6.68115 2.48242 -195.04549 733.15104
|
|
895.0000 -202.06072 -194.18880 7.87192 2.52815 -194.18244 746.01252
|
|
900.0000 -203.04852 -195.25468 7.79383 2.48923 -194.91693 730.24908
|
|
905.0000 -204.57650 -197.05697 7.51953 2.44248 -195.79928 712.11931
|
|
910.0000 -204.82933 -197.08689 7.74244 2.35881 -197.37856 666.00369
|
|
915.0000 -203.05037 -196.12094 6.92943 2.36783 -197.20829 662.78477
|
|
920.0000 -203.31534 -196.08598 7.22936 2.41897 -196.24309 676.29339
|
|
925.0000 -204.44640 -196.91607 7.53033 2.43335 -195.97171 704.14671
|
|
930.0000 -203.40834 -196.27099 7.13736 2.38317 -196.91875 663.96160
|
|
935.0000 -203.70858 -197.29646 6.41212 2.38314 -196.91936 671.93950
|
|
940.0000 -202.87258 -196.39606 6.47652 2.40825 -196.44548 665.50701
|
|
945.0000 -202.41523 -195.03634 7.37889 2.42605 -196.10946 690.47063
|
|
950.0000 -203.98606 -197.51803 6.46803 2.43053 -196.02482 674.35595
|
|
955.0000 -204.23361 -196.67776 7.55585 2.35375 -197.47416 655.80238
|
|
960.0000 -204.28424 -197.06029 7.22395 2.36222 -197.31425 674.32925
|
|
965.0000 -202.90451 -196.23726 6.66725 2.37247 -197.12072 660.59441
|
|
970.0000 -204.28118 -196.45830 7.82288 2.44661 -195.72140 696.71181
|
|
975.0000 -204.26881 -197.19748 7.07133 2.37045 -197.15897 669.61889
|
|
980.0000 -203.15028 -196.54919 6.60109 2.37281 -197.11431 674.69475
|
|
985.0000 -203.67999 -196.61787 7.06212 2.41885 -196.24535 710.98756
|
|
990.0000 -203.29593 -196.23094 7.06499 2.43128 -196.01069 687.10785
|
|
995.0000 -203.24923 -195.68809 7.56113 2.37796 -197.01706 659.12990
|
|
1000.0000 -204.21067 -195.58827 8.62240 2.44068 -195.83333 709.63417
|
|
MELTING PROCESS: loop number 5 T-loop= 798.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 798.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.71382 2.63418 1.64097
|
|
force_rgl> df(natom) 1.90617 -1.37932 -1.29244
|
|
1005.0000 -202.29282 -194.58966 7.70316 2.47020 -195.27608 731.13717
|
|
1010.0000 -203.63800 -195.31173 8.32627 2.49106 -194.88250 746.11939
|
|
1015.0000 -201.94387 -193.56422 8.37965 2.49432 -194.82095 755.58071
|
|
1020.0000 -200.12732 -190.73507 9.39225 2.61465 -192.54979 810.10545
|
|
1025.0000 -199.08478 -191.72571 7.35907 2.67821 -191.35008 843.30592
|
|
1030.0000 -200.76939 -192.14029 8.62911 2.64293 -192.01602 848.59902
|
|
1035.0000 -201.70130 -194.13073 7.57058 2.56795 -193.43122 783.36982
|
|
1040.0000 -202.20427 -194.54494 7.65933 2.54102 -193.93955 758.17427
|
|
1045.0000 -204.23833 -196.49399 7.74434 2.49423 -194.82264 738.06147
|
|
1050.0000 -202.98442 -195.33321 7.65121 2.40851 -196.44061 683.65119
|
|
1055.0000 -202.75501 -195.41056 7.34445 2.45519 -195.55940 717.54523
|
|
1060.0000 -200.78448 -191.25857 9.52591 2.52446 -194.25202 769.77052
|
|
1065.0000 -201.27747 -191.60872 9.66875 2.70179 -190.90497 868.14197
|
|
1070.0000 -199.54158 -190.38303 9.15855 2.66861 -191.53129 863.39238
|
|
1075.0000 -201.22403 -193.50248 7.72155 2.60827 -192.67011 797.83835
|
|
1080.0000 -199.49301 -190.53362 8.95939 2.65224 -191.84029 817.68140
|
|
1085.0000 -198.85172 -191.30899 7.54273 2.68830 -191.15964 845.78837
|
|
1090.0000 -200.22544 -192.80128 7.42416 2.67533 -191.40438 870.02754
|
|
1095.0000 -200.98545 -193.25111 7.73434 2.58082 -193.18818 789.88597
|
|
1100.0000 -200.95697 -192.09647 8.86050 2.61759 -192.49420 820.28476
|
|
1105.0000 -200.26140 -191.87582 8.38558 2.63357 -192.19264 822.56900
|
|
1110.0000 -201.27984 -192.04030 9.23954 2.66937 -191.51685 827.72686
|
|
1115.0000 -201.04355 -192.62692 8.41664 2.61377 -192.56643 811.80389
|
|
1120.0000 -201.66365 -192.84633 8.81732 2.58641 -193.08279 776.83785
|
|
1125.0000 -201.47361 -193.79092 7.68269 2.60182 -192.79191 797.93974
|
|
1130.0000 -202.33344 -194.47685 7.85658 2.54010 -193.95691 772.88305
|
|
1135.0000 -201.95208 -193.22833 8.72375 2.54164 -193.92777 782.57364
|
|
1140.0000 -200.02682 -191.36943 8.65739 2.63841 -192.10133 816.72503
|
|
1145.0000 -199.63395 -191.05554 8.57841 2.69792 -190.97800 852.03927
|
|
1150.0000 -200.33135 -192.26086 8.07049 2.65429 -191.80164 835.95119
|
|
1155.0000 -199.96861 -192.87928 7.08932 2.62438 -192.36609 789.80624
|
|
1160.0000 -200.12726 -191.10663 9.02064 2.61029 -192.63208 808.84981
|
|
1165.0000 -201.34665 -192.04133 9.30532 2.68708 -191.18267 866.23653
|
|
1170.0000 -201.05807 -193.29005 7.76803 2.60078 -192.81151 781.92969
|
|
1175.0000 -201.24277 -192.59093 8.65185 2.58285 -193.14988 765.28826
|
|
1180.0000 -200.37149 -191.09947 9.27201 2.65061 -191.87097 801.28419
|
|
1185.0000 -200.49867 -191.57738 8.92129 2.66676 -191.56612 801.83273
|
|
1190.0000 -201.15122 -193.21383 7.93738 2.61887 -192.47000 806.30427
|
|
1195.0000 -202.19441 -194.54162 7.65280 2.57641 -193.27149 764.03872
|
|
1200.0000 -202.17094 -194.71564 7.45530 2.55800 -193.61899 762.59107
|
|
1205.0000 -202.57683 -194.46438 8.11245 2.49118 -194.88025 746.43698
|
|
1210.0000 -202.64265 -194.06009 8.58256 2.50576 -194.60501 729.10702
|
|
1215.0000 -202.16182 -194.15014 8.01168 2.52982 -194.15086 758.98464
|
|
1220.0000 -199.37613 -190.70127 8.67487 2.67079 -191.49011 859.70506
|
|
1225.0000 -200.28534 -188.90130 11.38403 2.78020 -189.42498 948.48962
|
|
1230.0000 -201.19449 -192.18404 9.01045 2.65316 -191.82294 823.45919
|
|
1235.0000 -199.00856 -189.63283 9.37573 2.72946 -190.38267 853.80450
|
|
1240.0000 -199.22545 -190.22378 9.00166 2.69892 -190.95917 869.44508
|
|
1245.0000 -199.69145 -191.56365 8.12780 2.68705 -191.18318 849.68374
|
|
1250.0000 -199.82927 -192.30457 7.52470 2.67710 -191.37100 838.80776
|
|
MELTING PROCESS: loop number 6 T-loop= 898.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 898.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.40802 -0.52641 1.60494
|
|
force_rgl> df(natom) 1.55616 -0.83580 -5.32936
|
|
1255.0000 -200.01242 -191.72866 8.28375 2.67609 -191.39002 846.81577
|
|
1260.0000 -198.03788 -188.89597 9.14192 2.74692 -190.05315 895.25440
|
|
1265.0000 -200.08767 -189.19320 10.89446 2.78469 -189.34030 915.77540
|
|
1270.0000 -199.01643 -190.63181 8.38462 2.75269 -189.94436 898.70577
|
|
1275.0000 -200.24691 -189.77192 10.47499 2.73873 -190.20784 899.39897
|
|
1280.0000 -199.61847 -190.00098 9.61749 2.81542 -188.76032 936.11463
|
|
1285.0000 -197.57894 -187.88176 9.69717 2.80944 -188.87308 933.64040
|
|
1290.0000 -198.49020 -187.91013 10.58007 2.86742 -187.77874 972.42671
|
|
1295.0000 -199.53743 -190.24663 9.29081 2.80074 -189.03739 925.18586
|
|
1300.0000 -198.63149 -189.81567 8.81582 2.75308 -189.93699 905.43025
|
|
1305.0000 -197.72570 -189.42933 8.29637 2.74085 -190.16780 880.03694
|
|
1310.0000 -198.69042 -189.86833 8.82209 2.78477 -189.33879 891.83614
|
|
1315.0000 -199.06272 -190.15168 8.91104 2.73364 -190.30387 854.17250
|
|
1320.0000 -200.46966 -191.20253 9.26713 2.73547 -190.26929 876.90169
|
|
1325.0000 -198.93184 -189.62678 9.30506 2.72403 -190.48530 889.46091
|
|
1330.0000 -198.24592 -188.92750 9.31842 2.79800 -189.08909 907.47520
|
|
1335.0000 -198.22491 -187.89253 10.33238 2.82333 -188.61093 934.46582
|
|
1340.0000 -200.47943 -188.71726 11.76217 2.78666 -189.30317 927.79054
|
|
1345.0000 -199.82591 -190.65054 9.17537 2.71018 -190.74663 870.38403
|
|
1350.0000 -198.25382 -187.84377 10.41004 2.78740 -189.28915 908.24470
|
|
1355.0000 -200.97974 -190.39950 10.58024 2.84140 -188.26997 978.78500
|
|
1360.0000 -198.95737 -189.43997 9.51740 2.80010 -189.04953 952.18100
|
|
1365.0000 -201.50638 -191.90068 9.60570 2.72155 -190.53201 874.15841
|
|
1370.0000 -199.85882 -190.28214 9.57668 2.71767 -190.60532 876.91493
|
|
1375.0000 -198.17717 -188.06122 10.11595 2.79961 -189.05866 924.86655
|
|
1380.0000 -198.15364 -189.41876 8.73488 2.83625 -188.36706 921.36711
|
|
1385.0000 -198.19307 -188.34215 9.85092 2.81067 -188.84998 900.09359
|
|
1390.0000 -199.18717 -189.18663 10.00054 2.79446 -189.15598 906.20452
|
|
1395.0000 -198.87541 -188.98441 9.89100 2.83683 -188.35623 965.48864
|
|
1400.0000 -198.42988 -189.44043 8.98944 2.78131 -189.40415 944.27554
|
|
1405.0000 -200.17592 -190.99338 9.18254 2.72710 -190.42735 881.75004
|
|
1410.0000 -199.98852 -189.60530 10.38323 2.70843 -190.77962 873.18866
|
|
1415.0000 -201.03431 -191.98850 9.04580 2.67743 -191.36472 836.57596
|
|
1420.0000 -202.00951 -192.75348 9.25603 2.65541 -191.78047 844.67081
|
|
1425.0000 -200.40055 -191.30897 9.09157 2.68440 -191.23317 855.23401
|
|
1430.0000 -199.61502 -189.83306 9.78196 2.71252 -190.70242 878.15868
|
|
1435.0000 -197.16719 -188.99343 8.17376 2.78272 -189.37751 923.29952
|
|
1440.0000 -200.09149 -189.40552 10.68598 2.73047 -190.36371 881.55255
|
|
1445.0000 -198.80556 -190.12538 8.68017 2.75770 -189.84973 928.20728
|
|
1450.0000 -200.74774 -191.88048 8.86726 2.73987 -190.18621 902.39864
|
|
1455.0000 -199.36792 -190.35105 9.01687 2.69800 -190.97647 845.93634
|
|
1460.0000 -199.25381 -188.98446 10.26935 2.79280 -189.18728 943.21250
|
|
1465.0000 -197.84834 -189.15429 8.69405 2.80615 -188.93531 943.93934
|
|
1470.0000 -198.63944 -189.48273 9.15672 2.76422 -189.72663 889.57145
|
|
1475.0000 -199.58402 -191.08619 8.49782 2.74267 -190.13351 889.13339
|
|
1480.0000 -197.20216 -188.59250 8.60965 2.71896 -190.58097 863.46044
|
|
1485.0000 -197.58582 -186.45842 11.12740 2.92398 -186.71125 1014.36155
|
|
1490.0000 -198.84045 -188.91212 9.92833 2.85160 -188.07738 947.90036
|
|
1495.0000 -200.48469 -191.85245 8.63224 2.72425 -190.48117 866.51599
|
|
1500.0000 -200.31681 -191.25414 9.06267 2.65640 -191.76164 849.20393
|
|
MELTING PROCESS: loop number 7 T-loop= 998.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 998.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.98598 3.77496 0.79270
|
|
force_rgl> df(natom) -4.10666 2.52033 4.58536
|
|
1505.0000 -198.39605 -189.05856 9.33749 2.75808 -189.84253 891.75590
|
|
1510.0000 -197.49363 -188.67836 8.81527 2.83248 -188.43831 932.25618
|
|
1515.0000 -200.02216 -189.04290 10.97926 2.81292 -188.80740 944.69629
|
|
1520.0000 -197.07221 -187.12683 9.94538 2.89564 -187.24612 1005.26325
|
|
1525.0000 -199.44749 -189.80728 9.64021 2.77303 -189.56037 919.43462
|
|
1530.0000 -199.53287 -187.83794 11.69493 2.80581 -188.94177 946.89974
|
|
1535.0000 -198.66138 -186.68522 11.97616 2.88967 -187.35885 1008.79311
|
|
1540.0000 -197.10389 -186.51316 10.59073 2.89637 -187.23239 989.80835
|
|
1545.0000 -196.86863 -187.13802 9.73060 2.86605 -187.80477 964.69854
|
|
1550.0000 -197.10679 -186.98169 10.12510 2.96225 -185.98902 1019.10048
|
|
1555.0000 -196.16100 -185.55587 10.60514 2.95096 -186.20212 1012.05204
|
|
1560.0000 -196.81504 -185.52039 11.29465 2.99520 -185.36699 1059.95048
|
|
1565.0000 -196.34638 -186.08811 10.25828 2.90584 -187.05359 999.51490
|
|
1570.0000 -195.69303 -186.33593 9.35710 2.92542 -186.68412 1000.82110
|
|
1575.0000 -199.89214 -191.58012 8.31202 2.82018 -188.67040 933.32112
|
|
1580.0000 -197.16926 -186.72950 10.43976 2.81389 -188.78917 897.11133
|
|
1585.0000 -196.27345 -184.08993 12.18351 2.96852 -185.87070 1025.87122
|
|
1590.0000 -198.22841 -187.78327 10.44515 2.93494 -186.50451 1008.22713
|
|
1595.0000 -198.12632 -187.83021 10.29611 2.86005 -187.91784 985.49681
|
|
1600.0000 -197.23996 -185.66901 11.57095 2.91390 -186.90154 1006.81751
|
|
1605.0000 -197.55982 -187.44557 10.11426 2.95374 -186.14953 1041.39271
|
|
1610.0000 -198.65236 -187.45046 11.20190 2.86610 -187.80382 988.71628
|
|
1615.0000 -196.95912 -188.35891 8.60022 2.86153 -187.89006 968.00660
|
|
1620.0000 -198.17688 -187.87618 10.30070 2.86829 -187.76234 961.52679
|
|
1625.0000 -196.44799 -186.63727 9.81072 2.88782 -187.39381 990.95332
|
|
1630.0000 -197.76480 -186.35721 11.40759 2.86983 -187.73336 990.32411
|
|
1635.0000 -197.97821 -187.17686 10.80135 2.92632 -186.66715 992.10020
|
|
1640.0000 -196.37055 -185.84773 10.52282 2.95151 -186.19160 1009.76582
|
|
1645.0000 -196.91611 -187.39770 9.51841 2.93488 -186.50560 1016.40925
|
|
1650.0000 -198.41619 -186.84337 11.57282 2.88078 -187.52668 981.84176
|
|
1655.0000 -199.10940 -190.22708 8.88231 2.82882 -188.50739 957.74074
|
|
1660.0000 -198.26207 -187.50810 10.75397 2.83982 -188.29970 967.57042
|
|
1665.0000 -198.02900 -188.21763 9.81137 2.84799 -188.14556 978.77813
|
|
1670.0000 -198.48354 -189.29941 9.18413 2.83669 -188.35886 951.00035
|
|
1675.0000 -196.91771 -186.26894 10.64877 2.86789 -187.76995 969.06136
|
|
1680.0000 -198.91168 -188.38910 10.52259 2.92326 -186.72494 1013.03197
|
|
1685.0000 -196.77272 -187.77854 8.99418 2.85487 -188.01570 908.00103
|
|
1690.0000 -197.41235 -187.46373 9.94862 2.98263 -185.60427 1016.37550
|
|
1695.0000 -199.06206 -188.20815 10.85392 2.90790 -187.01488 1001.43610
|
|
1700.0000 -196.86998 -187.53430 9.33568 2.87403 -187.65412 961.67844
|
|
1705.0000 -196.36046 -184.40175 11.95871 2.96709 -185.89768 1050.93336
|
|
1710.0000 -195.53312 -186.09126 9.44186 3.03047 -184.70130 1057.50411
|
|
1715.0000 -195.98110 -185.22845 10.75266 3.00023 -185.27212 1052.68366
|
|
1720.0000 -195.73841 -184.05379 11.68462 3.04262 -184.47194 1091.64211
|
|
1725.0000 -197.57220 -186.16949 11.40271 2.98976 -185.46968 1072.20841
|
|
1730.0000 -197.39219 -187.05338 10.33881 2.93953 -186.41777 1018.00488
|
|
1735.0000 -197.77079 -186.47009 11.30069 2.89187 -187.31743 1012.52715
|
|
1740.0000 -197.39152 -184.12053 13.27098 3.00544 -185.17368 1064.02806
|
|
1745.0000 -196.88733 -186.59967 10.28767 3.05947 -184.15401 1089.79926
|
|
1750.0000 -195.30104 -182.57389 12.72715 3.00451 -185.19134 1074.26312
|
|
MELTING PROCESS: loop number 8 T-loop= 1098.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1098.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.03177 0.31970 1.02108
|
|
force_rgl> df(natom) 1.97747 1.56563 -1.11450
|
|
1755.0000 -194.64980 -184.56564 10.08416 3.08457 -183.68013 1104.89597
|
|
1760.0000 -195.84512 -183.34946 12.49566 3.07403 -183.87922 1121.80447
|
|
1765.0000 -193.79108 -181.06961 12.72147 3.15533 -182.34474 1164.13564
|
|
1770.0000 -196.04143 -182.24568 13.79575 3.16822 -182.10132 1166.47813
|
|
1775.0000 -196.20247 -185.20557 10.99690 3.07637 -183.83501 1124.70059
|
|
1780.0000 -195.73441 -185.95682 9.77758 2.96215 -185.99091 1046.35185
|
|
1785.0000 -195.87319 -184.87946 10.99373 2.95264 -186.17039 1006.70307
|
|
1790.0000 -197.25880 -186.34856 10.91024 2.99351 -185.39893 1053.69009
|
|
1795.0000 -195.70274 -183.99290 11.70984 2.93454 -186.51188 1015.67326
|
|
1800.0000 -192.77277 -181.06637 11.70640 3.14106 -182.61399 1145.34958
|
|
1805.0000 -197.19205 -185.60573 11.58632 3.10101 -183.36998 1163.22518
|
|
1810.0000 -196.74576 -183.79703 12.94872 3.07337 -183.89162 1118.04016
|
|
1815.0000 -196.23491 -184.80882 11.42609 3.05292 -184.27766 1090.94903
|
|
1820.0000 -194.46052 -182.43921 12.02131 3.15108 -182.42490 1173.05351
|
|
1825.0000 -194.13233 -181.35093 12.78140 3.15782 -182.29775 1121.47017
|
|
1830.0000 -196.91611 -183.79395 13.12216 3.07867 -183.79149 1087.46710
|
|
1835.0000 -196.71192 -184.78135 11.93058 3.02687 -184.76921 1093.03561
|
|
1840.0000 -196.94362 -184.16721 12.77642 3.07838 -183.79707 1108.80503
|
|
1845.0000 -196.59587 -183.74829 12.84759 3.08924 -183.59215 1119.13046
|
|
1850.0000 -197.16979 -185.89344 11.27634 3.04527 -184.42208 1102.55341
|
|
1855.0000 -196.32618 -185.36660 10.95958 2.98220 -185.61232 1008.31766
|
|
1860.0000 -197.74529 -187.62422 10.12107 2.96494 -185.93814 997.28873
|
|
1865.0000 -197.31892 -186.85065 10.46827 2.92957 -186.60573 994.18511
|
|
1870.0000 -196.43899 -185.53261 10.90638 2.97186 -185.80760 1025.19736
|
|
1875.0000 -197.70102 -183.82963 13.87139 3.02875 -184.73380 1110.08632
|
|
1880.0000 -196.02524 -186.42553 9.59972 3.06360 -184.07602 1103.49584
|
|
1885.0000 -195.41143 -183.32434 12.08709 3.04806 -184.36936 1065.75986
|
|
1890.0000 -197.26444 -185.04772 12.21673 3.03860 -184.54794 1069.92612
|
|
1895.0000 -194.48224 -182.15189 12.33035 3.07133 -183.93014 1127.59741
|
|
1900.0000 -194.86434 -184.91789 9.94644 3.06440 -184.06086 1102.83799
|
|
1905.0000 -197.96526 -186.35863 11.60663 2.93060 -186.58641 1001.26089
|
|
1910.0000 -196.62045 -185.21224 11.40821 3.02003 -184.89838 1076.37078
|
|
1915.0000 -198.01940 -186.14215 11.87725 3.04197 -184.48423 1095.57860
|
|
1920.0000 -195.09043 -183.19297 11.89746 3.07519 -183.85725 1103.44287
|
|
1925.0000 -192.05240 -179.66153 12.39086 3.16101 -182.23742 1164.92869
|
|
1930.0000 -192.58610 -180.59482 11.99128 3.19803 -181.53866 1158.45858
|
|
1935.0000 -194.45294 -182.39748 12.05546 3.18826 -181.72321 1147.18794
|
|
1940.0000 -195.73987 -184.52703 11.21284 3.10186 -183.35385 1117.41972
|
|
1945.0000 -193.54569 -183.81725 9.72845 3.01545 -184.98482 1043.84834
|
|
1950.0000 -196.61819 -185.44353 11.17465 3.04478 -184.43132 1100.03192
|
|
1955.0000 -195.09403 -183.21972 11.87430 3.02829 -184.74254 1086.03997
|
|
1960.0000 -196.76447 -184.18094 12.58353 3.11926 -183.02539 1161.91839
|
|
1965.0000 -197.10402 -185.99428 11.10975 3.05543 -184.23031 1091.60007
|
|
1970.0000 -196.42965 -186.30118 10.12847 2.97303 -185.78553 1031.47513
|
|
1975.0000 -195.99404 -185.21522 10.77882 3.02553 -184.79459 1083.87692
|
|
1980.0000 -196.08995 -184.55152 11.53844 2.99385 -185.39245 1068.34592
|
|
1985.0000 -194.23611 -184.29027 9.94584 3.02171 -184.86673 1063.33663
|
|
1990.0000 -196.11086 -183.99316 12.11770 3.10336 -183.32550 1107.24720
|
|
1995.0000 -194.74337 -183.62749 11.11588 3.03103 -184.69071 1097.41817
|
|
2000.0000 -195.49310 -183.34007 12.15303 3.06189 -184.10835 1069.45683
|
|
MELTING PROCESS: loop number 9 T-loop= 1198.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1198.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.58529 2.39652 -0.54020
|
|
force_rgl> df(natom) 2.42781 -3.87070 -3.84751
|
|
2005.0000 -194.50827 -181.14725 13.36102 3.10639 -183.26834 1132.04336
|
|
2010.0000 -193.22233 -180.17790 13.04444 3.23651 -180.81249 1216.96904
|
|
2015.0000 -194.37902 -181.41612 12.96290 3.23830 -180.77863 1220.75283
|
|
2020.0000 -196.13639 -184.40095 11.73544 3.16922 -182.08256 1151.84428
|
|
2025.0000 -194.46905 -182.48662 11.98243 3.09978 -183.39322 1093.72548
|
|
2030.0000 -193.83173 -181.36482 12.46691 3.16298 -182.20031 1191.63069
|
|
2035.0000 -191.88050 -179.25133 12.62916 3.29237 -179.75808 1237.94978
|
|
2040.0000 -192.89130 -178.89494 13.99636 3.35143 -178.64345 1271.52229
|
|
2045.0000 -194.36584 -183.16734 11.19850 3.20999 -181.31307 1154.71966
|
|
2050.0000 -194.03413 -181.81923 12.21490 3.10065 -183.37677 1135.05247
|
|
2055.0000 -192.23596 -179.13971 13.09624 3.29185 -179.76790 1230.04955
|
|
2060.0000 -192.35319 -179.71661 12.63658 3.23244 -180.88929 1222.18717
|
|
2065.0000 -193.15338 -179.38359 13.76979 3.37076 -178.27861 1241.24945
|
|
2070.0000 -190.51493 -176.54413 13.97080 3.37015 -178.29004 1301.06084
|
|
2075.0000 -193.87525 -181.20285 12.67241 3.35900 -178.50046 1268.21365
|
|
2080.0000 -195.75391 -181.75636 13.99756 3.21949 -181.13363 1205.14952
|
|
2085.0000 -195.29710 -184.62093 10.67618 3.07238 -183.91024 1112.27987
|
|
2090.0000 -196.86996 -183.59421 13.27574 3.01997 -184.89960 1084.58267
|
|
2095.0000 -195.33128 -181.32073 14.01055 3.13442 -182.73942 1174.60093
|
|
2100.0000 -194.67490 -182.56842 12.10648 3.23941 -180.75765 1186.77698
|
|
2105.0000 -194.25419 -182.85616 11.39802 3.13635 -182.70283 1137.63476
|
|
2110.0000 -194.27144 -181.91496 12.35648 3.19487 -181.59839 1165.07946
|
|
2115.0000 -194.33051 -180.39899 13.93153 3.20709 -181.36775 1171.15718
|
|
2120.0000 -191.82681 -179.96821 11.85859 3.27947 -180.00154 1231.30134
|
|
2125.0000 -195.03620 -181.37627 13.65993 3.29713 -179.66833 1262.71245
|
|
2130.0000 -192.49115 -181.35750 11.13365 3.18109 -181.85841 1195.08629
|
|
2135.0000 -195.28004 -182.87124 12.40880 3.20507 -181.40591 1179.04655
|
|
2140.0000 -194.76496 -182.93942 11.82555 3.16045 -182.24803 1179.02489
|
|
2145.0000 -195.18783 -183.62516 11.56267 3.13992 -182.63556 1164.02364
|
|
2150.0000 -194.63837 -182.63145 12.00692 3.19864 -181.52711 1191.93592
|
|
2155.0000 -193.44392 -179.86351 13.58041 3.24016 -180.74352 1193.03380
|
|
2160.0000 -193.05433 -180.51937 12.53496 3.29882 -179.63636 1264.02118
|
|
2165.0000 -190.61276 -178.97403 11.63872 3.31634 -179.30572 1273.12177
|
|
2170.0000 -192.03052 -179.11075 12.91977 3.30402 -179.53827 1251.34383
|
|
2175.0000 -191.24928 -179.54991 11.69937 3.23525 -180.83620 1202.88032
|
|
2180.0000 -194.74311 -180.48092 14.26219 3.28494 -179.89840 1229.30979
|
|
2185.0000 -193.03372 -179.81548 13.21825 3.31666 -179.29973 1247.06658
|
|
2190.0000 -195.17982 -184.98966 10.19016 3.09900 -183.40795 1131.66435
|
|
2195.0000 -196.73765 -182.16457 14.57309 3.12053 -183.00148 1129.41874
|
|
2200.0000 -192.24907 -178.58030 13.66877 3.22962 -180.94239 1176.22156
|
|
2205.0000 -194.49405 -181.77270 12.72135 3.30155 -179.58474 1280.19720
|
|
2210.0000 -192.67462 -179.21788 13.45675 3.23500 -180.84084 1219.92703
|
|
2215.0000 -191.05694 -178.94168 12.11526 3.30793 -179.46450 1255.95785
|
|
2220.0000 -193.77358 -180.76276 13.01082 3.30597 -179.50146 1273.90662
|
|
2225.0000 -194.14197 -181.37799 12.76398 3.24449 -180.66190 1208.53952
|
|
2230.0000 -195.17159 -182.23145 12.94014 3.23685 -180.80601 1178.41718
|
|
2235.0000 -195.15244 -181.49204 13.66041 3.17420 -181.98859 1180.87594
|
|
2240.0000 -195.44011 -183.82365 11.61646 3.09292 -183.52258 1125.53342
|
|
2245.0000 -194.49672 -184.12065 10.37607 3.02690 -184.76863 1082.56298
|
|
2250.0000 -195.95050 -184.09086 11.85964 3.06532 -184.04363 1107.49854
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 31.9225084 [s].
|
|
main_MD> Deallocating global variables
|