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_86.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 = 86 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: 86 8600
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main_MD> Size of nv and nvoiz: 86 8600
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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 = 86
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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> 7.9800541768717828E-002 -8.2804147735388457E-003 5.1809140571551324E-002 initial drift of cluster / NP1 for coalescence
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init> 0.31183564004160202 0.32247228882874285 0.30064650076644084 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8093466611041273E-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) -1.47634 0.09262 -0.62143
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force_rgl> df(natom) -0.12039 -0.01741 0.51726
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preparo> THERMALIZATION PROCESS AT 283.41555320604880
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -217.47424367231665 3.6845296623304717 -221.15877333464712 3.9174443472238170E-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= 384.00000000000000
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main_MD> interactions number 1 at Temperature= 384.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.02431 0.21511 -0.32885
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force_rgl> df(natom) 0.97737 2.07721 0.79211
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5.0000 -221.62053 -217.18012 4.44041 1.87300 -217.20744 358.56614
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10.0000 -220.66807 -216.55607 4.11200 1.88776 -216.91994 366.75120
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15.0000 -220.48304 -216.09237 4.39067 1.93933 -215.91513 407.73961
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20.0000 -220.28690 -216.10946 4.17745 1.92884 -216.11957 395.62029
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25.0000 -221.25750 -217.75044 3.50707 1.88492 -216.97523 359.21267
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30.0000 -220.64328 -216.76260 3.88068 1.86662 -217.33191 342.55704
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35.0000 -220.85518 -215.62960 5.22558 1.93324 -216.03386 389.35239
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40.0000 -220.61537 -215.88027 4.73510 1.94329 -215.83797 407.66291
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45.0000 -221.01702 -216.43525 4.58176 1.93175 -216.06295 412.20700
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50.0000 -221.16771 -217.06367 4.10404 1.89544 -216.77029 391.51442
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55.0000 -220.97777 -215.99293 4.98484 1.90489 -216.58613 398.62201
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60.0000 -221.35475 -216.63838 4.71637 1.94235 -215.85637 426.99298
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65.0000 -220.74254 -216.82976 3.91277 1.88254 -217.02155 383.56058
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70.0000 -221.13844 -216.97776 4.16068 1.89469 -216.78490 393.29900
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75.0000 -220.92999 -216.93684 3.99315 1.90311 -216.62078 393.80429
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80.0000 -220.38715 -215.84014 4.54701 1.92045 -216.28304 397.82780
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85.0000 -220.13088 -216.01539 4.11549 1.94092 -215.88428 410.93834
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90.0000 -220.54655 -216.13022 4.41633 1.94130 -215.87686 395.59682
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95.0000 -220.94624 -216.37754 4.56870 1.92197 -216.25346 386.82987
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100.0000 -220.87663 -216.60466 4.27197 1.92112 -216.27003 391.74501
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105.0000 -220.85615 -216.80658 4.04957 1.89438 -216.79095 375.18572
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110.0000 -220.76539 -216.74084 4.02455 1.89868 -216.70710 377.74047
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115.0000 -220.94636 -217.01280 3.93356 1.87148 -217.23707 362.28276
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120.0000 -220.24991 -216.12946 4.12045 1.90170 -216.64840 377.47995
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125.0000 -220.80466 -216.27377 4.53089 1.92228 -216.24734 388.85820
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130.0000 -220.96143 -216.81429 4.14713 1.88794 -216.91653 360.67885
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135.0000 -220.64125 -216.55568 4.08557 1.88769 -216.92135 361.98090
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140.0000 -220.52724 -216.74934 3.77790 1.90294 -216.62425 372.74306
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145.0000 -220.31840 -216.36290 3.95550 1.91436 -216.40161 382.71730
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150.0000 -220.34718 -215.67055 4.67663 1.91777 -216.33517 384.99721
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155.0000 -220.64634 -216.21871 4.42763 1.91694 -216.35146 385.95272
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160.0000 -220.81089 -216.54701 4.26389 1.92700 -216.15532 397.14450
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165.0000 -220.60656 -216.29267 4.31389 1.90620 -216.56060 374.24086
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170.0000 -220.72969 -216.05887 4.67082 1.92513 -216.19190 406.68292
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175.0000 -221.15287 -217.10657 4.04630 1.90508 -216.58253 384.46111
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180.0000 -220.43714 -215.89480 4.54234 1.91604 -216.36902 394.16970
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185.0000 -220.58491 -216.39973 4.18518 1.92806 -216.13476 405.68933
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190.0000 -221.26558 -217.55939 3.70618 1.87812 -217.10779 369.67104
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195.0000 -220.84223 -217.49870 3.34354 1.84753 -217.70374 344.21257
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200.0000 -221.41147 -216.90819 4.50328 1.87594 -217.15030 361.67977
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205.0000 -221.38401 -217.28977 4.09423 1.89472 -216.78427 379.36101
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210.0000 -220.47927 -216.10671 4.37256 1.91191 -216.44940 395.88583
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215.0000 -220.62725 -215.82953 4.79772 1.93508 -215.99790 416.13328
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220.0000 -220.89236 -216.63940 4.25296 1.88928 -216.89041 376.96854
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225.0000 -220.85202 -216.59321 4.25881 1.89839 -216.71277 383.24355
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230.0000 -221.43179 -217.31455 4.11724 1.89375 -216.80322 376.26146
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235.0000 -220.99449 -216.69325 4.30124 1.86767 -217.31141 357.33624
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240.0000 -220.84883 -216.21192 4.63691 1.92445 -216.20513 405.33253
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245.0000 -220.31631 -215.73214 4.58418 1.91979 -216.29589 396.00983
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250.0000 -220.13328 -216.23946 3.89382 1.93891 -215.92343 415.14591
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MELTING PROCESS: loop number 2 T-loop= 484.00000000000000
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main_MD> interactions number 2 at Temperature= 484.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.54550 4.09441 -4.60093
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force_rgl> df(natom) 3.13358 -2.40478 -0.45785
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255.0000 -219.11905 -214.86411 4.25494 1.97390 -215.24155 435.34250
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260.0000 -220.58515 -215.58102 5.00412 1.98160 -215.09166 447.79695
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265.0000 -219.00613 -213.27909 5.72704 2.02157 -214.31289 471.98955
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270.0000 -218.56071 -213.17250 5.38820 2.06791 -213.40996 488.80371
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275.0000 -219.32893 -213.68385 5.64508 2.06730 -213.42195 507.58285
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280.0000 -218.40228 -213.28607 5.11621 2.08370 -213.10228 527.11885
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285.0000 -219.68538 -213.96418 5.72120 2.05995 -213.56517 485.92297
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290.0000 -218.75908 -213.33629 5.42279 2.07570 -213.25827 496.89322
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295.0000 -219.04397 -213.23161 5.81236 2.06318 -213.50224 488.51205
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300.0000 -220.10590 -214.26145 5.84445 2.02916 -214.16498 460.84237
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305.0000 -220.37441 -214.76287 5.61154 2.00323 -214.67023 459.17309
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310.0000 -219.44310 -214.07597 5.36713 2.03697 -214.01286 480.95739
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315.0000 -219.04172 -213.60095 5.44077 2.05478 -213.66577 497.09852
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320.0000 -219.54050 -213.76780 5.77270 2.03356 -214.07926 495.77591
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325.0000 -219.15525 -213.77154 5.38371 2.07660 -213.24075 513.45583
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330.0000 -218.85757 -213.28992 5.56764 2.02391 -214.26726 484.29105
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335.0000 -217.99116 -212.49805 5.49311 2.07106 -213.34868 517.15791
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340.0000 -220.25918 -214.39880 5.86038 2.09704 -212.84236 515.48948
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345.0000 -218.59928 -213.66201 4.93727 2.02932 -214.16189 483.49971
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350.0000 -219.26244 -213.29604 5.96639 2.05960 -213.57185 496.51114
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355.0000 -219.28015 -212.97538 6.30477 2.10000 -212.78468 514.33482
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360.0000 -219.12632 -213.08998 6.03634 2.11038 -212.58262 534.54002
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365.0000 -218.88025 -212.84190 6.03835 2.09019 -212.97599 533.33550
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370.0000 -218.66257 -213.88019 4.78238 2.10402 -212.70642 532.43892
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375.0000 -219.15856 -214.40805 4.75051 2.03260 -214.09798 490.08715
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380.0000 -219.31804 -213.94338 5.37466 2.03341 -214.08219 480.53225
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385.0000 -219.59091 -214.30114 5.28977 2.00818 -214.57371 476.12766
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390.0000 -220.15650 -213.49219 6.66431 2.04188 -213.91708 505.89377
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395.0000 -219.82171 -214.45547 5.36623 2.02665 -214.21395 487.10044
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400.0000 -219.25398 -214.99786 4.25613 2.01259 -214.48790 466.94343
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405.0000 -219.82896 -213.92354 5.90542 2.00903 -214.55712 462.06845
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410.0000 -219.63803 -214.24313 5.39490 2.03462 -214.05862 488.17727
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415.0000 -219.37968 -214.81726 4.56242 2.02140 -214.31618 471.25309
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420.0000 -220.16631 -214.07572 6.09059 2.02183 -214.30782 455.27962
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425.0000 -218.68318 -213.85882 4.82436 2.06229 -213.51950 502.46836
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430.0000 -219.18932 -213.58491 5.60441 2.04376 -213.88054 484.66560
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435.0000 -219.65274 -214.74651 4.90623 2.01777 -214.38683 464.02967
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440.0000 -219.13880 -214.38521 4.75358 2.01470 -214.44675 463.72007
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445.0000 -219.59135 -214.59453 4.99683 2.00339 -214.66702 448.06702
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450.0000 -219.25418 -213.81357 5.44062 2.03625 -214.02693 477.02669
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455.0000 -219.50325 -214.85043 4.65281 2.02320 -214.28108 470.31485
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460.0000 -218.32846 -213.07259 5.25587 2.01983 -214.34668 461.18107
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465.0000 -219.34448 -213.94472 5.39976 2.06822 -213.40392 499.23962
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470.0000 -219.21281 -213.42483 5.78798 2.05839 -213.59552 497.98306
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475.0000 -218.85597 -213.17005 5.68592 2.05337 -213.69332 488.80852
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480.0000 -218.21276 -212.68559 5.52718 2.09933 -212.79780 514.71514
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485.0000 -219.47660 -213.76741 5.70918 2.07433 -213.28493 495.25646
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490.0000 -219.43803 -213.96245 5.47558 2.04244 -213.90626 483.41224
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495.0000 -219.69720 -214.71427 4.98294 2.04554 -213.84588 492.26927
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500.0000 -219.76749 -214.45247 5.31503 1.98801 -214.96665 456.78161
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MELTING PROCESS: loop number 3 T-loop= 584.00000000000000
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main_MD> interactions number 3 at Temperature= 584.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 3.24140 1.97890 -0.81429
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force_rgl> df(natom) 1.17770 0.19220 -0.42808
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505.0000 -217.49867 -211.39313 6.10553 2.09366 -212.90837 536.81377
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510.0000 -217.56800 -211.23174 6.33626 2.19624 -210.90960 587.57756
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515.0000 -216.91806 -209.83119 7.08686 2.19477 -210.93840 573.78021
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520.0000 -216.59492 -209.61822 6.97669 2.24422 -209.97484 602.13243
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525.0000 -216.48395 -210.23443 6.24953 2.25003 -209.86175 618.22306
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530.0000 -217.54139 -211.02064 6.52075 2.23317 -210.19022 600.72573
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535.0000 -218.30250 -211.93114 6.37135 2.14384 -211.93055 558.35460
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540.0000 -216.34715 -210.59695 5.75019 2.16544 -211.50977 592.44549
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545.0000 -216.47667 -210.46653 6.01014 2.18129 -211.20096 582.25751
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550.0000 -217.23873 -210.80723 6.43150 2.20876 -210.66576 552.03597
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555.0000 -214.69233 -208.82217 5.87016 2.26496 -209.57074 589.63296
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560.0000 -216.01497 -208.87291 7.14207 2.30424 -208.80545 599.74857
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565.0000 -216.42519 -209.98966 6.43554 2.24823 -209.89674 592.26563
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570.0000 -215.83663 -209.82063 6.01600 2.22395 -210.36973 561.12131
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575.0000 -215.77340 -210.26339 5.51001 2.25266 -209.81053 564.00831
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580.0000 -215.45737 -210.51203 4.94534 2.19958 -210.84466 527.89891
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585.0000 -218.15316 -211.06305 7.09011 2.20836 -210.67362 587.94553
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590.0000 -217.35112 -210.15764 7.19347 2.20955 -210.65043 607.21518
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595.0000 -216.33121 -209.73766 6.59355 2.23683 -210.11878 587.63249
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600.0000 -217.41237 -209.71695 7.69542 2.26415 -209.58656 610.01516
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605.0000 -217.59139 -210.94849 6.64290 2.21134 -210.61555 590.24502
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610.0000 -216.24428 -210.12660 6.11768 2.20492 -210.74063 573.42286
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615.0000 -215.87581 -208.89009 6.98571 2.25646 -209.73648 602.82805
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620.0000 -217.24618 -210.34018 6.90600 2.26253 -209.61813 607.23957
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625.0000 -216.78489 -210.60594 6.17895 2.21964 -210.45379 553.43233
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630.0000 -217.76876 -210.88445 6.88431 2.19490 -210.93571 538.32160
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635.0000 -217.14683 -210.65104 6.49579 2.21659 -210.51321 530.14269
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640.0000 -215.63356 -209.58199 6.05157 2.23024 -210.24718 547.33887
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645.0000 -216.98050 -209.16548 7.81502 2.28126 -209.25320 599.53490
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650.0000 -216.34126 -208.87953 7.46173 2.27790 -209.31864 618.87932
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655.0000 -215.94205 -209.45458 6.48747 2.29041 -209.07500 641.88455
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660.0000 -215.33066 -208.07551 7.25515 2.30282 -208.83314 623.08153
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665.0000 -215.35813 -208.42883 6.92930 2.34190 -208.07168 622.26246
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670.0000 -215.97691 -210.37023 5.60668 2.28236 -209.23180 564.54415
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675.0000 -216.34899 -210.25913 6.08986 2.23800 -210.09601 554.12271
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680.0000 -216.30812 -208.91309 7.39503 2.27390 -209.39662 599.63087
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685.0000 -215.23700 -208.31559 6.92141 2.30593 -208.77260 595.01573
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690.0000 -216.16533 -208.82260 7.34273 2.29696 -208.94740 614.77143
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695.0000 -216.52502 -210.76823 5.75679 2.24249 -210.00860 546.08083
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700.0000 -216.30445 -210.78404 5.52041 2.21586 -210.52737 554.08298
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705.0000 -216.53467 -209.74155 6.79312 2.24613 -209.93770 586.30506
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710.0000 -215.63428 -208.93266 6.70162 2.27041 -209.46452 593.25523
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715.0000 -214.10737 -208.32679 5.78058 2.29076 -209.06807 577.78875
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720.0000 -215.49742 -208.78659 6.71083 2.32955 -208.31241 621.44259
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725.0000 -216.63172 -209.88738 6.74434 2.23996 -210.05786 574.17989
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730.0000 -215.40323 -208.77299 6.63023 2.29247 -209.03471 612.87320
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735.0000 -216.36144 -209.77727 6.58417 2.26630 -209.54458 593.32899
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740.0000 -216.21090 -209.23566 6.97524 2.25395 -209.78533 584.54858
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745.0000 -216.65389 -209.20733 7.44656 2.26399 -209.58962 603.69085
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750.0000 -216.12223 -209.87138 6.25085 2.23961 -210.06464 579.79972
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MELTING PROCESS: loop number 4 T-loop= 684.00000000000000
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main_MD> interactions number 4 at Temperature= 684.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.30487 -0.06078 -0.18105
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force_rgl> df(natom) -1.53329 2.51781 4.29045
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755.0000 -215.37969 -207.91517 7.46452 2.31654 -208.56585 616.61268
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760.0000 -215.02525 -207.73277 7.29248 2.34994 -207.91509 649.75625
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765.0000 -214.19483 -206.20344 7.99139 2.40771 -206.78951 672.32834
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770.0000 -213.43421 -205.62315 7.81106 2.46280 -205.71626 711.01910
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775.0000 -214.62273 -207.55185 7.07088 2.41861 -206.57724 677.81703
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780.0000 -214.40909 -207.13196 7.27713 2.37410 -207.44440 629.12596
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785.0000 -214.54697 -206.36847 8.17850 2.40736 -206.79637 686.62473
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790.0000 -213.79739 -206.40149 7.39590 2.42602 -206.43279 666.82162
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795.0000 -213.60410 -204.76198 8.84212 2.45172 -205.93201 707.59008
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800.0000 -213.19670 -205.76965 7.42705 2.49194 -205.14839 727.17642
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805.0000 -213.41155 -205.53360 7.87795 2.48184 -205.34530 725.89392
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810.0000 -213.77167 -206.78442 6.98725 2.42562 -206.44061 690.99253
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815.0000 -215.20741 -207.35391 7.85350 2.37576 -207.41197 675.89854
|
|
820.0000 -214.48138 -206.69738 7.78400 2.41610 -206.62606 696.30594
|
|
825.0000 -213.47930 -206.82756 6.65174 2.42250 -206.50132 699.94896
|
|
830.0000 -215.34648 -207.76915 7.57733 2.37791 -207.37020 648.99313
|
|
835.0000 -213.90967 -206.18259 7.72708 2.38895 -207.15506 660.83486
|
|
840.0000 -212.95013 -205.73843 7.21170 2.48061 -205.36926 698.30138
|
|
845.0000 -214.23629 -205.56143 8.67485 2.50160 -204.96019 712.62435
|
|
850.0000 -213.89820 -206.32362 7.57458 2.47263 -205.52458 707.98001
|
|
855.0000 -213.47157 -205.43350 8.03807 2.45685 -205.83202 686.44940
|
|
860.0000 -213.62401 -206.23050 7.39352 2.43901 -206.17973 690.09983
|
|
865.0000 -213.69567 -206.39251 7.30316 2.45891 -205.79197 714.24666
|
|
870.0000 -213.52643 -206.66931 6.85712 2.42654 -206.42262 691.35639
|
|
875.0000 -213.85836 -206.57783 7.28054 2.44099 -206.14105 682.41762
|
|
880.0000 -215.52430 -207.98528 7.53902 2.37167 -207.49179 653.65328
|
|
885.0000 -214.30733 -205.63226 8.67507 2.45172 -205.93200 709.77874
|
|
890.0000 -214.60290 -206.34549 8.25741 2.43108 -206.33423 677.36563
|
|
895.0000 -213.86603 -205.89080 7.97522 2.43337 -206.28967 680.74360
|
|
900.0000 -214.11131 -206.50648 7.60483 2.43392 -206.27890 670.77623
|
|
905.0000 -214.50229 -207.28742 7.21487 2.39555 -207.02642 632.17383
|
|
910.0000 -214.58394 -206.48868 8.09526 2.39658 -207.00633 648.21145
|
|
915.0000 -212.47995 -205.10750 7.37245 2.42758 -206.40230 684.42479
|
|
920.0000 -215.10454 -207.51854 7.58599 2.44680 -206.02786 691.85978
|
|
925.0000 -214.14574 -206.69424 7.45150 2.40920 -206.76058 662.42339
|
|
930.0000 -214.00072 -205.66041 8.34030 2.41704 -206.60766 671.67305
|
|
935.0000 -213.71469 -205.25524 8.45945 2.47579 -205.46301 698.80322
|
|
940.0000 -213.44073 -205.48656 7.95417 2.48176 -205.34680 726.30292
|
|
945.0000 -212.75346 -205.25937 7.49409 2.45070 -205.95185 688.83814
|
|
950.0000 -212.82554 -204.99903 7.82651 2.48344 -205.31396 702.83630
|
|
955.0000 -215.11622 -206.90957 8.20665 2.43955 -206.16915 676.36230
|
|
960.0000 -213.31280 -206.71982 6.59298 2.41703 -206.60803 657.46704
|
|
965.0000 -214.17096 -206.79637 7.37458 2.44131 -206.13485 701.20563
|
|
970.0000 -213.36370 -206.02217 7.34153 2.44215 -206.11850 688.09861
|
|
975.0000 -213.72409 -205.01729 8.70680 2.45249 -205.91708 696.93399
|
|
980.0000 -213.91510 -206.31525 7.59985 2.47428 -205.49245 700.76966
|
|
985.0000 -214.48908 -206.59448 7.89460 2.44352 -206.09184 671.12954
|
|
990.0000 -214.65675 -208.06726 6.58949 2.40668 -206.80967 664.27216
|
|
995.0000 -214.91207 -208.77828 6.13379 2.31037 -208.68614 594.28160
|
|
1000.0000 -214.84586 -208.17635 6.66951 2.33804 -208.14686 619.32206
|
|
MELTING PROCESS: loop number 5 T-loop= 784.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 784.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.14271 0.58730 1.87682
|
|
force_rgl> df(natom) 0.62629 -2.22918 1.17197
|
|
1005.0000 -210.99475 -202.40084 8.59391 2.47625 -205.45415 705.21901
|
|
1010.0000 -209.94383 -200.88663 9.05720 2.64088 -202.24660 812.43248
|
|
1015.0000 -210.95086 -200.57623 10.37463 2.68134 -201.45824 799.17547
|
|
1020.0000 -211.27388 -202.83800 8.43588 2.59625 -203.11614 781.36496
|
|
1025.0000 -211.04655 -201.76129 9.28527 2.63496 -202.36187 827.37581
|
|
1030.0000 -210.47136 -202.32088 8.15048 2.64423 -202.18140 813.14777
|
|
1035.0000 -211.38126 -203.23232 8.14894 2.58724 -203.29157 784.52939
|
|
1040.0000 -210.42479 -201.69118 8.73362 2.63679 -202.32619 804.71316
|
|
1045.0000 -212.00795 -203.87377 8.13417 2.57128 -203.60261 768.90080
|
|
1050.0000 -209.30020 -200.85380 8.44640 2.65526 -201.96645 840.81324
|
|
1055.0000 -210.21115 -200.60134 9.60981 2.72098 -200.68596 863.30496
|
|
1060.0000 -210.50863 -201.81756 8.69106 2.68989 -201.29167 811.86759
|
|
1065.0000 -212.25159 -202.89076 9.36083 2.60819 -202.88342 769.97204
|
|
1070.0000 -212.71792 -203.07666 9.64126 2.60413 -202.96252 771.01026
|
|
1075.0000 -211.39330 -203.39724 7.99607 2.57331 -203.56302 793.70924
|
|
1080.0000 -212.07838 -203.24216 8.83622 2.59134 -203.21184 806.09649
|
|
1085.0000 -211.42481 -202.11121 9.31360 2.61161 -202.81686 801.45458
|
|
1090.0000 -210.89932 -203.03801 7.86130 2.62240 -202.60663 808.60583
|
|
1095.0000 -211.55658 -202.30283 9.25374 2.61915 -202.66993 797.43439
|
|
1100.0000 -211.85015 -200.51205 11.33811 2.68044 -201.47587 816.10051
|
|
1105.0000 -211.43886 -202.08918 9.34968 2.70045 -201.08587 834.50436
|
|
1110.0000 -211.94933 -203.29759 8.65174 2.63239 -202.41198 791.98641
|
|
1115.0000 -211.20792 -201.49103 9.71689 2.68185 -201.44839 836.20767
|
|
1120.0000 -209.47159 -200.33162 9.13997 2.68110 -201.46298 817.77316
|
|
1125.0000 -211.17385 -201.89949 9.27437 2.66145 -201.84579 813.72790
|
|
1130.0000 -211.49641 -202.69251 8.80390 2.61654 -202.72074 813.49844
|
|
1135.0000 -212.66957 -203.95126 8.71831 2.57485 -203.53304 764.97298
|
|
1140.0000 -212.88549 -203.92372 8.96178 2.56152 -203.79284 753.50092
|
|
1145.0000 -211.85603 -204.68814 7.16788 2.58432 -203.34854 775.80304
|
|
1150.0000 -212.33794 -204.26554 8.07240 2.51312 -204.73584 756.02392
|
|
1155.0000 -212.43581 -202.51244 9.92337 2.56528 -203.71945 776.49423
|
|
1160.0000 -210.46532 -200.53531 9.93001 2.65761 -201.92071 829.91636
|
|
1165.0000 -212.07865 -202.74454 9.33411 2.70558 -200.98601 831.70646
|
|
1170.0000 -209.80445 -199.67873 10.12573 2.65194 -202.03116 809.84733
|
|
1175.0000 -211.29361 -201.16005 10.13356 2.71229 -200.85533 855.88513
|
|
1180.0000 -211.78335 -203.03878 8.74457 2.67074 -201.66487 829.16027
|
|
1185.0000 -212.94211 -204.04834 8.89377 2.58706 -203.29518 800.75771
|
|
1190.0000 -211.85498 -203.70727 8.14770 2.55803 -203.86083 775.87610
|
|
1195.0000 -210.39644 -202.30047 8.09597 2.59186 -203.20166 785.13013
|
|
1200.0000 -210.14547 -201.12979 9.01569 2.66199 -201.83518 810.34184
|
|
1205.0000 -210.88258 -202.59622 8.28636 2.63277 -202.40451 792.17710
|
|
1210.0000 -211.41041 -202.18952 9.22089 2.63858 -202.29146 801.94669
|
|
1215.0000 -212.34555 -203.10816 9.23739 2.68064 -201.47189 839.18659
|
|
1220.0000 -211.60662 -202.40447 9.20215 2.60180 -203.00799 792.03549
|
|
1225.0000 -210.61073 -201.49241 9.11832 2.66014 -201.87140 819.54919
|
|
1230.0000 -208.83947 -200.72783 8.11164 2.70120 -201.07132 871.51029
|
|
1235.0000 -210.11104 -201.37156 8.73948 2.75390 -200.04447 866.36222
|
|
1240.0000 -210.47619 -202.79527 7.68092 2.68721 -201.34396 840.17505
|
|
1245.0000 -211.66585 -202.72357 8.94228 2.60801 -202.88705 779.14232
|
|
1250.0000 -212.35502 -204.16044 8.19457 2.60540 -202.93789 816.47069
|
|
MELTING PROCESS: loop number 6 T-loop= 884.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 884.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -5.27267 -4.81080 -3.31800
|
|
force_rgl> df(natom) -1.13941 2.82552 -1.96017
|
|
1255.0000 -212.56414 -203.49497 9.06917 2.61738 -202.70452 796.96486
|
|
1260.0000 -211.98723 -203.13536 8.85186 2.61838 -202.68485 827.66355
|
|
1265.0000 -210.46783 -200.09889 10.36895 2.66884 -201.70190 841.83105
|
|
1270.0000 -212.98523 -202.05161 10.93362 2.71733 -200.75710 847.06861
|
|
1275.0000 -211.68719 -202.75761 8.92958 2.69803 -201.13315 863.20995
|
|
1280.0000 -210.28466 -200.34827 9.93639 2.68371 -201.41208 837.56612
|
|
1285.0000 -210.49123 -199.68531 10.80591 2.74994 -200.12165 886.60578
|
|
1290.0000 -209.55011 -198.85947 10.69063 2.77146 -199.70235 909.98379
|
|
1295.0000 -208.46337 -199.55940 8.90397 2.81117 -198.92864 911.64146
|
|
1300.0000 -209.40184 -198.85588 10.54596 2.76130 -199.90043 870.62224
|
|
1305.0000 -208.60947 -198.96109 9.64837 2.80551 -199.03900 916.76259
|
|
1310.0000 -210.91921 -200.00975 10.90946 2.80234 -199.10075 929.05171
|
|
1315.0000 -210.14992 -201.27639 8.87353 2.71450 -200.81219 887.15627
|
|
1320.0000 -210.15032 -199.55129 10.59903 2.72957 -200.51860 877.92345
|
|
1325.0000 -209.23703 -199.19807 10.03895 2.77222 -199.68764 914.61756
|
|
1330.0000 -209.77503 -199.34327 10.43177 2.83119 -198.53869 943.09478
|
|
1335.0000 -211.49067 -201.96896 9.52172 2.71830 -200.73817 854.12018
|
|
1340.0000 -209.61247 -200.01069 9.60178 2.71042 -200.89165 838.99517
|
|
1345.0000 -209.67293 -200.89291 8.78002 2.68464 -201.39407 838.63750
|
|
1350.0000 -209.76650 -198.77539 10.99112 2.74253 -200.26606 889.68899
|
|
1355.0000 -209.02572 -199.63061 9.39511 2.78134 -199.50994 913.66638
|
|
1360.0000 -209.13529 -199.97320 9.16209 2.78277 -199.48206 922.24142
|
|
1365.0000 -210.42678 -199.67908 10.74769 2.77155 -199.70062 892.13628
|
|
1370.0000 -208.37854 -198.22940 10.14914 2.85264 -198.12076 964.08747
|
|
1375.0000 -208.79591 -198.55960 10.23631 2.87381 -197.70838 990.99054
|
|
1380.0000 -211.58144 -201.00861 10.57283 2.73486 -200.41547 883.68844
|
|
1385.0000 -210.97871 -200.33679 10.64191 2.72996 -200.51097 875.79814
|
|
1390.0000 -209.18267 -198.97151 10.21115 2.76591 -199.81053 910.02067
|
|
1395.0000 -212.03951 -202.10284 9.93667 2.75110 -200.09915 900.47098
|
|
1400.0000 -211.59438 -202.73132 8.86305 2.64312 -202.20292 820.74106
|
|
1405.0000 -210.15041 -201.31021 8.84020 2.65540 -201.96359 819.94734
|
|
1410.0000 -208.79657 -198.29090 10.50568 2.79518 -199.24023 898.27054
|
|
1415.0000 -211.61378 -201.61640 9.99738 2.79327 -199.27750 898.12469
|
|
1420.0000 -211.29470 -202.81012 8.48458 2.66134 -201.84785 823.56874
|
|
1425.0000 -211.77257 -201.56045 10.21212 2.65843 -201.90459 848.80133
|
|
1430.0000 -208.40296 -200.05308 8.34988 2.71182 -200.86441 824.88474
|
|
1435.0000 -209.20350 -199.73018 9.47331 2.80310 -199.08597 905.29701
|
|
1440.0000 -209.53012 -200.23453 9.29559 2.77828 -199.56949 869.73693
|
|
1445.0000 -210.05347 -200.69702 9.35645 2.74983 -200.12392 867.33871
|
|
1450.0000 -209.20844 -200.67852 8.52992 2.68859 -201.31711 824.71478
|
|
1455.0000 -208.69385 -198.08883 10.60502 2.82937 -198.57420 924.23660
|
|
1460.0000 -210.32586 -200.27805 10.04780 2.77169 -199.69789 890.58535
|
|
1465.0000 -209.60995 -199.30175 10.30820 2.75052 -200.11036 871.85327
|
|
1470.0000 -207.31045 -196.65023 10.66021 2.86184 -197.94145 927.72808
|
|
1475.0000 -208.13694 -197.30951 10.82743 2.90765 -197.04894 972.22093
|
|
1480.0000 -208.16619 -197.99248 10.17371 2.88478 -197.49465 976.39794
|
|
1485.0000 -211.03018 -200.20240 10.82778 2.74133 -200.28941 860.75527
|
|
1490.0000 -209.75801 -201.53619 8.22182 2.69981 -201.09842 846.30330
|
|
1495.0000 -210.58972 -201.13762 9.45210 2.71599 -200.78319 843.04055
|
|
1500.0000 -210.32129 -202.09928 8.22202 2.68495 -201.38789 838.30226
|
|
MELTING PROCESS: loop number 7 T-loop= 984.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 984.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.30204 -3.09147 1.55816
|
|
force_rgl> df(natom) 1.78901 3.68070 -0.38205
|
|
1505.0000 -209.30670 -196.71884 12.58786 2.74655 -200.18784 868.87120
|
|
1510.0000 -209.21337 -198.61306 10.60031 2.88282 -197.53275 967.17343
|
|
1515.0000 -207.85686 -197.03322 10.82364 2.84378 -198.29341 951.82683
|
|
1520.0000 -205.75316 -193.42040 12.33275 2.98298 -195.58121 1066.16756
|
|
1525.0000 -206.57838 -194.54445 12.03393 3.12871 -192.74191 1147.78294
|
|
1530.0000 -207.20572 -196.89514 10.31057 2.98620 -195.51859 1040.66658
|
|
1535.0000 -207.84935 -196.64408 11.20528 2.86142 -197.94977 952.95352
|
|
1540.0000 -208.74597 -197.30804 11.43793 2.97558 -195.72538 1010.41056
|
|
1545.0000 -209.79246 -199.08021 10.71225 2.90723 -197.05706 996.03307
|
|
1550.0000 -208.62112 -197.64115 10.97997 2.81649 -198.82502 949.64442
|
|
1555.0000 -208.21158 -196.08132 12.13026 2.89954 -197.20695 958.65273
|
|
1560.0000 -207.34472 -197.57174 9.77298 2.91715 -196.86388 978.97091
|
|
1565.0000 -209.05577 -200.02698 9.02879 2.87352 -197.71400 964.16843
|
|
1570.0000 -209.58718 -197.79311 11.79407 2.85522 -198.07046 960.77045
|
|
1575.0000 -209.17958 -198.03737 11.14221 2.86332 -197.91265 991.29606
|
|
1580.0000 -207.91043 -197.21857 10.69186 2.85927 -197.99149 933.25811
|
|
1585.0000 -206.44181 -194.87156 11.57025 2.98140 -195.61206 1003.47395
|
|
1590.0000 -205.54934 -194.45982 11.08951 2.96360 -195.95881 989.16594
|
|
1595.0000 -206.90325 -195.58473 11.31852 3.02382 -194.78556 1065.59186
|
|
1600.0000 -209.23338 -198.90093 10.33245 2.91793 -196.84862 969.46697
|
|
1605.0000 -209.17557 -197.76292 11.41266 2.83553 -198.45421 926.60207
|
|
1610.0000 -206.73854 -196.57439 10.16415 2.89727 -197.25130 988.56423
|
|
1615.0000 -206.81461 -195.73888 11.07574 2.91787 -196.84977 969.61095
|
|
1620.0000 -206.69785 -195.40708 11.29077 2.99305 -195.38518 1037.17618
|
|
1625.0000 -207.52528 -196.29872 11.22657 3.04413 -194.38993 1047.47461
|
|
1630.0000 -206.83639 -196.55644 10.27995 2.95349 -196.15595 1027.19150
|
|
1635.0000 -208.71026 -196.97309 11.73717 2.92884 -196.63621 991.99671
|
|
1640.0000 -210.08113 -196.49499 13.58613 2.85824 -198.01165 945.74964
|
|
1645.0000 -207.90509 -196.96746 10.93763 2.93171 -196.58015 1001.57222
|
|
1650.0000 -207.25665 -196.18527 11.07138 2.95866 -196.05506 1029.47537
|
|
1655.0000 -206.39663 -195.00836 11.38827 2.97687 -195.70027 1025.13300
|
|
1660.0000 -207.74285 -196.89867 10.84418 2.91763 -196.85447 976.10895
|
|
1665.0000 -206.75048 -196.07068 10.67980 2.94421 -196.33663 993.68690
|
|
1670.0000 -208.53808 -197.87115 10.66693 2.95525 -196.12159 1015.35499
|
|
1675.0000 -208.42352 -197.85674 10.56677 2.86722 -197.83676 985.28565
|
|
1680.0000 -208.41981 -196.48068 11.93912 2.96722 -195.88837 1021.44207
|
|
1685.0000 -208.57480 -198.44331 10.13149 2.92507 -196.70959 992.91373
|
|
1690.0000 -208.25204 -197.04704 11.20501 2.82886 -198.58402 928.67529
|
|
1695.0000 -208.15221 -197.64108 10.51113 2.91337 -196.93751 1018.87934
|
|
1700.0000 -206.59758 -196.27404 10.32354 2.92121 -196.78471 989.10101
|
|
1705.0000 -205.21002 -195.21155 9.99846 2.96863 -195.86085 1013.82752
|
|
1710.0000 -205.78795 -194.11139 11.67655 3.09292 -193.43931 1113.71057
|
|
1715.0000 -206.69473 -197.36799 9.32673 2.98167 -195.60678 1008.62153
|
|
1720.0000 -206.53641 -195.86350 10.67290 2.91328 -196.93924 975.82793
|
|
1725.0000 -208.61446 -195.86571 12.74875 2.94049 -196.40906 1016.46046
|
|
1730.0000 -206.82218 -196.82005 10.00213 3.02479 -194.76674 1067.51141
|
|
1735.0000 -206.13263 -194.28714 11.84549 2.96897 -195.85432 1017.10361
|
|
1740.0000 -207.52520 -195.90113 11.62407 2.97838 -195.67088 1009.03033
|
|
1745.0000 -208.55326 -198.36348 10.18978 2.86765 -197.82833 945.05039
|
|
1750.0000 -208.63466 -196.72004 11.91462 2.94547 -196.31215 1000.37632
|
|
MELTING PROCESS: loop number 8 T-loop= 1084.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1084.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.76715 3.21412 -1.82761
|
|
force_rgl> df(natom) 2.05925 -1.63445 0.56696
|
|
1755.0000 -206.63909 -193.87764 12.76144 3.05520 -194.17422 1088.47617
|
|
1760.0000 -204.68830 -191.94078 12.74752 3.11455 -193.01793 1118.50879
|
|
1765.0000 -206.10939 -193.91130 12.19809 3.11862 -192.93862 1124.87382
|
|
1770.0000 -206.15822 -194.22913 11.92909 3.03500 -194.56771 1060.06522
|
|
1775.0000 -205.84472 -192.32472 13.52000 3.01498 -194.95791 1040.86516
|
|
1780.0000 -204.41159 -193.60398 10.80761 3.10972 -193.11197 1099.23083
|
|
1785.0000 -205.53473 -191.26739 14.26734 3.14842 -192.35786 1121.47899
|
|
1790.0000 -204.85054 -192.52914 12.32140 3.14478 -192.42879 1129.61251
|
|
1795.0000 -206.72207 -191.73084 14.99123 3.17396 -191.86043 1121.65325
|
|
1800.0000 -203.35622 -191.39600 11.96021 3.15590 -192.21218 1145.58658
|
|
1805.0000 -206.44202 -193.77418 12.66785 3.14933 -192.34028 1130.94583
|
|
1810.0000 -206.55487 -197.00125 9.55362 3.02820 -194.70030 1066.61712
|
|
1815.0000 -204.71323 -193.25126 11.46197 3.03506 -194.56660 1061.16890
|
|
1820.0000 -208.51109 -195.46961 13.04148 3.07084 -193.86938 1105.48652
|
|
1825.0000 -206.09678 -194.80464 11.29213 3.05948 -194.09072 1049.14007
|
|
1830.0000 -204.21490 -191.13721 13.07768 3.10026 -193.29625 1107.10302
|
|
1835.0000 -205.55735 -192.19433 13.36302 3.20826 -191.19202 1177.46931
|
|
1840.0000 -205.13753 -192.54226 12.59527 3.11512 -193.00667 1125.76715
|
|
1845.0000 -207.45295 -196.33131 11.12164 3.02138 -194.83311 1066.72192
|
|
1850.0000 -203.35265 -191.41503 11.93762 3.08995 -193.49722 1116.79182
|
|
1855.0000 -203.51710 -191.98086 11.53625 3.23932 -190.58685 1186.44863
|
|
1860.0000 -203.16045 -189.44655 13.71390 3.25497 -190.28205 1188.79274
|
|
1865.0000 -204.46008 -192.73339 11.72669 3.18904 -191.56658 1118.71935
|
|
1870.0000 -208.91363 -196.27399 12.63963 3.06475 -193.98817 1089.39189
|
|
1875.0000 -205.22993 -192.83941 12.39053 2.97451 -195.74626 1023.00162
|
|
1880.0000 -206.20943 -193.76309 12.44635 3.12829 -192.75007 1127.41905
|
|
1885.0000 -205.77455 -193.59309 12.18146 3.10574 -193.18941 1077.73041
|
|
1890.0000 -206.29187 -193.66879 12.62308 3.12337 -192.84608 1104.08210
|
|
1895.0000 -209.29575 -195.59763 13.69812 3.06040 -194.07290 1108.01643
|
|
1900.0000 -205.91279 -193.63781 12.27498 3.06305 -194.02124 1092.31608
|
|
1905.0000 -206.41265 -193.92533 12.48731 3.10066 -193.28845 1109.88446
|
|
1910.0000 -206.33546 -195.47920 10.85625 3.08273 -193.63783 1104.63819
|
|
1915.0000 -206.38166 -193.70773 12.67393 3.04930 -194.28917 1041.04536
|
|
1920.0000 -204.99949 -192.28173 12.71775 3.13030 -192.71106 1108.80115
|
|
1925.0000 -204.41107 -190.68395 13.72712 3.17458 -191.84831 1174.06879
|
|
1930.0000 -204.23766 -191.85064 12.38702 3.20637 -191.22897 1161.79763
|
|
1935.0000 -206.31947 -194.66846 11.65101 3.06728 -193.93880 1078.78276
|
|
1940.0000 -205.67606 -193.07549 12.60056 3.10043 -193.29294 1111.49594
|
|
1945.0000 -205.84957 -194.48305 11.36652 3.11685 -192.97311 1104.04011
|
|
1950.0000 -205.70220 -193.26903 12.43316 3.05560 -194.16650 1069.08288
|
|
1955.0000 -205.59189 -194.07662 11.51527 3.18646 -191.61681 1141.90051
|
|
1960.0000 -206.66017 -194.97645 11.68372 3.02318 -194.79805 1060.77125
|
|
1965.0000 -203.18084 -192.37717 10.80367 3.10409 -193.22159 1064.21697
|
|
1970.0000 -205.06257 -192.43602 12.62655 3.12465 -192.82097 1115.30463
|
|
1975.0000 -205.70647 -192.30331 13.40316 3.12675 -192.78014 1116.36699
|
|
1980.0000 -206.65801 -195.74986 10.90815 3.04628 -194.34800 1062.39050
|
|
1985.0000 -209.53412 -197.57005 11.96406 2.89094 -197.37463 950.73038
|
|
1990.0000 -205.80340 -195.84326 9.96014 2.93744 -196.46862 969.89098
|
|
1995.0000 -206.82706 -194.36576 12.46129 3.09092 -193.47822 1130.72835
|
|
2000.0000 -207.73269 -196.48129 11.25140 2.96680 -195.89656 1015.74333
|
|
MELTING PROCESS: loop number 9 T-loop= 1184.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1184.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.99370 2.33985 -5.15247
|
|
force_rgl> df(natom) -0.53994 0.09338 3.53804
|
|
2005.0000 -209.22248 -196.00699 13.21549 3.01928 -194.87395 1056.13342
|
|
2010.0000 -205.03176 -193.44143 11.59033 2.97523 -195.73236 1047.67232
|
|
2015.0000 -204.93715 -193.42301 11.51414 3.08619 -193.57031 1098.49599
|
|
2020.0000 -205.92181 -193.54279 12.37903 3.12013 -192.90909 1142.15940
|
|
2025.0000 -206.29685 -192.71750 13.57935 3.11249 -193.05803 1148.36487
|
|
2030.0000 -205.81038 -192.66103 13.14936 3.16171 -192.09905 1171.76789
|
|
2035.0000 -204.15705 -190.15206 14.00499 3.22247 -190.91523 1188.08420
|
|
2040.0000 -203.61172 -190.21442 13.39730 3.28636 -189.67036 1221.04587
|
|
2045.0000 -205.65804 -192.39724 13.26080 3.22020 -190.95943 1164.40487
|
|
2050.0000 -204.05648 -191.39834 12.65814 3.11675 -192.97490 1135.29858
|
|
2055.0000 -201.34580 -189.09124 12.25456 3.22133 -190.93742 1179.92224
|
|
2060.0000 -202.53844 -188.16554 14.37290 3.36061 -188.22373 1256.58152
|
|
2065.0000 -203.50221 -192.35677 11.14544 3.25809 -190.22122 1204.34036
|
|
2070.0000 -202.10679 -189.84772 12.25907 3.21238 -191.11177 1174.56539
|
|
2075.0000 -202.11562 -189.71901 12.39662 3.30332 -189.34001 1229.32047
|
|
2080.0000 -206.03692 -192.56348 13.47344 3.23764 -190.61963 1178.73755
|
|
2085.0000 -206.09507 -193.12560 12.96947 3.09639 -193.37165 1096.05115
|
|
2090.0000 -205.49773 -191.70038 13.79735 3.11946 -192.92222 1114.35080
|
|
2095.0000 -202.99602 -191.53518 11.46084 3.18331 -191.67812 1151.83922
|
|
2100.0000 -202.69315 -189.54740 13.14575 3.27273 -189.93605 1204.24135
|
|
2105.0000 -202.61697 -189.54147 13.07550 3.34932 -188.44363 1243.56143
|
|
2110.0000 -203.49221 -188.86592 14.62629 3.31204 -189.17001 1230.55193
|
|
2115.0000 -203.20257 -189.48260 13.71997 3.29510 -189.50018 1177.59210
|
|
2120.0000 -204.32210 -191.79139 12.53071 3.23686 -190.63488 1198.90248
|
|
2125.0000 -204.75189 -191.03758 13.71430 3.19135 -191.52159 1172.75889
|
|
2130.0000 -202.80655 -190.26074 12.54581 3.27738 -189.84544 1223.91159
|
|
2135.0000 -203.78329 -190.50046 13.28283 3.24488 -190.47849 1172.37294
|
|
2140.0000 -204.70340 -190.67617 14.02723 3.19962 -191.36039 1172.31509
|
|
2145.0000 -201.48084 -188.30753 13.17331 3.32317 -188.95314 1236.22713
|
|
2150.0000 -202.26042 -188.65587 13.60455 3.34162 -188.59374 1231.82965
|
|
2155.0000 -203.66585 -189.27138 14.39447 3.33143 -188.79225 1196.14787
|
|
2160.0000 -203.86746 -190.88993 12.97753 3.27400 -189.91130 1150.52140
|
|
2165.0000 -201.38055 -187.48766 13.89289 3.38493 -187.74994 1290.93846
|
|
2170.0000 -204.20046 -189.54656 14.65391 3.38312 -187.78514 1270.46226
|
|
2175.0000 -204.86061 -190.88339 13.97722 3.25178 -190.34421 1228.73633
|
|
2180.0000 -205.57821 -192.25513 13.32308 3.20489 -191.25766 1188.09920
|
|
2185.0000 -204.36207 -192.53006 11.83201 3.15924 -192.14710 1139.07568
|
|
2190.0000 -206.11990 -193.86021 12.25970 3.06903 -193.90470 1094.33623
|
|
2195.0000 -203.16181 -190.30712 12.85469 3.16386 -192.05704 1145.93456
|
|
2200.0000 -202.67426 -189.76010 12.91416 3.33763 -188.67148 1275.32846
|
|
2205.0000 -203.98652 -189.30820 14.67832 3.28160 -189.76312 1188.41734
|
|
2210.0000 -201.94266 -191.52982 10.41284 3.29359 -189.52955 1198.74228
|
|
2215.0000 -204.93421 -192.43716 12.49705 3.12917 -192.73300 1122.24073
|
|
2220.0000 -203.03066 -190.05612 12.97454 3.18110 -191.72117 1147.06892
|
|
2225.0000 -201.99031 -187.15229 14.83802 3.37202 -188.00147 1282.10115
|
|
2230.0000 -204.62596 -192.14229 12.48367 3.25647 -190.25285 1217.26216
|
|
2235.0000 -204.80085 -190.38869 14.41215 3.14877 -192.35112 1135.27278
|
|
2240.0000 -204.54201 -191.66706 12.87495 3.23237 -190.72229 1197.65948
|
|
2245.0000 -205.05488 -191.01987 14.03501 3.20307 -191.29315 1179.67894
|
|
2250.0000 -205.57517 -193.08856 12.48661 3.14703 -192.38498 1124.42066
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 37.7456584 [s].
|
|
main_MD> Deallocating global variables
|