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_45.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 = 45 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: 45 4500
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main_MD> Size of nv and nvoiz: 45 4500
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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 = 45
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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> 9.4444933400574554E-002 0.10250125971929755 -4.6253819710392621E-002 initial drift of cluster / NP1 for coalescence
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init> 0.32185271186404574 0.32993585708505324 0.34321745860120256 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.7901318156413983E-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) -0.86987 -2.27596 2.38813
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force_rgl> df(natom) -1.46295 -0.59687 0.45542
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preparo> THERMALIZATION PROCESS AT 277.49030710565614
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -111.00960392877229 1.4712038572567865 -112.48080778602908 3.7313584232127124E-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= 378.00000000000000
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main_MD> interactions number 1 at Temperature= 378.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.57109 -1.89827 -2.02950
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force_rgl> df(natom) -2.43341 -1.64857 -1.82845
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5.0000 -112.76462 -110.92728 1.83734 1.72223 -110.96123 278.69921
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10.0000 -111.96285 -110.20488 1.75797 1.75830 -110.50484 317.39592
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15.0000 -111.69303 -109.16163 2.53139 1.81520 -109.78498 377.36348
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20.0000 -112.32237 -110.12537 2.19700 1.80513 -109.91236 370.03490
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25.0000 -112.40269 -109.68654 2.71615 1.81292 -109.81387 379.17566
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30.0000 -112.04040 -109.92484 2.11557 1.80717 -109.88658 349.27001
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35.0000 -111.89287 -109.83546 2.05741 1.80864 -109.86797 356.11506
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40.0000 -111.82401 -109.32079 2.50322 1.82335 -109.68191 370.32961
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45.0000 -112.08124 -110.15175 1.92949 1.82690 -109.63704 387.33105
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50.0000 -112.06843 -110.08876 1.97967 1.78548 -110.16101 349.86684
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55.0000 -111.84949 -109.34958 2.49992 1.81117 -109.83594 370.37322
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60.0000 -111.54269 -108.98895 2.55374 1.85186 -109.32117 394.74853
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65.0000 -111.36536 -108.99451 2.37085 1.87274 -109.05706 411.30003
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70.0000 -111.62232 -109.37477 2.24755 1.83571 -109.52558 388.63452
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75.0000 -111.79088 -109.71673 2.07414 1.84540 -109.40295 394.18254
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80.0000 -111.75324 -110.01378 1.73946 1.80574 -109.90469 366.99294
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85.0000 -112.29542 -109.30704 2.98839 1.82189 -109.70037 377.07789
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90.0000 -112.09499 -110.21342 1.88156 1.80400 -109.92665 382.10426
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95.0000 -112.22872 -109.93092 2.29779 1.78946 -110.11064 360.15342
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100.0000 -111.96742 -109.67726 2.29016 1.83418 -109.54483 397.27042
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105.0000 -112.39768 -110.09839 2.29929 1.81646 -109.76912 375.97577
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110.0000 -111.32153 -108.58445 2.73708 1.83997 -109.47164 390.27400
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115.0000 -111.73565 -109.29924 2.43641 1.87098 -109.07935 420.89607
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120.0000 -112.15748 -109.65845 2.49903 1.83038 -109.59300 384.44336
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125.0000 -111.97497 -109.91687 2.05810 1.81586 -109.77665 371.26705
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130.0000 -111.97008 -109.43910 2.53098 1.81136 -109.83364 366.72747
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135.0000 -111.66162 -109.53264 2.12898 1.82765 -109.62751 388.13085
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140.0000 -111.62157 -109.01335 2.60822 1.85354 -109.29995 413.41718
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145.0000 -112.11306 -109.99617 2.11689 1.82475 -109.66424 398.28364
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150.0000 -112.30897 -109.81833 2.49064 1.81223 -109.82256 385.35749
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155.0000 -112.19334 -109.88671 2.30663 1.80202 -109.95179 374.99660
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160.0000 -112.58533 -110.80418 1.78115 1.78387 -110.18135 355.54475
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165.0000 -111.78104 -109.98627 1.79476 1.77055 -110.34996 335.22480
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170.0000 -112.21311 -109.53721 2.67590 1.80480 -109.91664 371.68204
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175.0000 -111.76893 -109.41029 2.35864 1.83532 -109.53050 387.25458
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180.0000 -111.91712 -109.47980 2.43732 1.85404 -109.29369 414.91528
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185.0000 -111.76137 -109.61577 2.14560 1.83373 -109.55058 390.29711
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190.0000 -111.87273 -109.68055 2.19218 1.83393 -109.54811 387.15662
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195.0000 -111.96794 -109.41456 2.55338 1.82205 -109.69832 368.11167
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200.0000 -112.12229 -109.58124 2.54105 1.83462 -109.53935 389.10241
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205.0000 -112.03016 -109.87691 2.15325 1.80340 -109.93430 372.02075
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210.0000 -112.06233 -110.07812 1.98421 1.77683 -110.27046 345.04183
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215.0000 -111.87215 -109.53152 2.34063 1.80828 -109.87253 383.78555
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220.0000 -112.10472 -109.37716 2.72756 1.83357 -109.55262 414.37355
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225.0000 -112.86143 -110.32186 2.53957 1.80696 -109.88925 388.87057
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230.0000 -112.21978 -110.07831 2.14148 1.78195 -110.20573 371.86835
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235.0000 -112.15527 -110.11131 2.04396 1.77499 -110.29368 358.85008
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240.0000 -112.41362 -109.73052 2.68310 1.80995 -109.85146 388.09359
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245.0000 -111.91594 -109.44526 2.47069 1.82462 -109.66590 406.17633
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250.0000 -111.60966 -109.01670 2.59297 1.85571 -109.27249 433.34004
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MELTING PROCESS: loop number 2 T-loop= 478.00000000000000
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main_MD> interactions number 2 at Temperature= 478.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.67932 -3.66451 1.22279
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force_rgl> df(natom) -0.93852 -3.23300 3.14627
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255.0000 -110.79436 -108.14937 2.64499 1.92669 -108.37449 495.14855
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260.0000 -111.19741 -108.61564 2.58178 1.91862 -108.47659 477.69865
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265.0000 -110.45226 -108.08704 2.36522 1.93535 -108.26494 480.72851
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270.0000 -111.43696 -108.91227 2.52470 1.94477 -108.14572 524.43399
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275.0000 -111.56211 -109.14742 2.41469 1.88900 -108.85130 479.47067
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280.0000 -111.22660 -108.26756 2.95904 1.89035 -108.83420 475.25037
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285.0000 -111.06644 -108.25976 2.80668 1.90166 -108.69118 485.72536
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290.0000 -111.09090 -108.50763 2.58327 1.92480 -108.39837 490.75531
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295.0000 -110.85001 -108.49512 2.35489 1.92701 -108.37048 501.73599
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300.0000 -111.35343 -108.62175 2.73168 1.90493 -108.64985 465.06449
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305.0000 -110.77766 -108.44280 2.33486 1.92969 -108.33652 490.51734
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310.0000 -111.73428 -108.71785 3.01643 1.91357 -108.54054 471.72686
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315.0000 -111.01210 -108.62406 2.38803 1.90849 -108.60474 455.26313
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320.0000 -110.56367 -108.28235 2.28132 1.93006 -108.33184 468.24949
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325.0000 -111.25678 -108.78958 2.46720 1.92880 -108.34776 461.63451
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330.0000 -111.45948 -108.81017 2.64931 1.87199 -109.06651 424.96468
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335.0000 -111.35515 -108.22493 3.13022 1.93132 -108.31598 471.97339
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340.0000 -111.43806 -108.87335 2.56471 1.88583 -108.89148 462.54464
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345.0000 -111.72575 -108.97574 2.75001 1.86925 -109.10119 455.37445
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350.0000 -111.68923 -108.76292 2.92631 1.89205 -108.81281 461.43217
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355.0000 -111.59839 -108.26318 3.33521 1.90431 -108.65770 487.55533
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360.0000 -111.78003 -108.86533 2.91470 1.90724 -108.62053 472.30329
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365.0000 -111.45688 -108.90650 2.55038 1.89460 -108.78053 458.95465
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370.0000 -111.77479 -108.85903 2.91576 1.88885 -108.85319 429.16284
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375.0000 -111.26511 -108.90319 2.36192 1.88253 -108.93314 458.07222
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380.0000 -112.13669 -109.27016 2.86653 1.85819 -109.24115 436.81010
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385.0000 -112.25005 -109.49324 2.75681 1.84241 -109.44078 416.27586
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390.0000 -111.69660 -108.88511 2.81149 1.89116 -108.82404 468.52734
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395.0000 -111.56118 -108.52228 3.03890 1.89791 -108.73862 463.08762
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400.0000 -111.43898 -108.61861 2.82037 1.91375 -108.53822 490.12624
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405.0000 -112.01612 -109.19476 2.82136 1.89127 -108.82264 467.88558
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410.0000 -112.05409 -109.30551 2.74858 1.82608 -109.64731 411.11350
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415.0000 -111.82291 -109.09851 2.72441 1.86773 -109.12038 440.27208
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420.0000 -111.60337 -109.37067 2.23269 1.84744 -109.37718 436.85973
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425.0000 -111.60751 -109.44648 2.16103 1.82434 -109.66934 403.10473
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430.0000 -110.73379 -108.61428 2.11951 1.86051 -109.21184 438.62488
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435.0000 -112.16914 -109.23682 2.93232 1.88246 -108.93410 474.99292
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440.0000 -111.38412 -108.45991 2.92421 1.90755 -108.61659 483.87964
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445.0000 -111.67412 -108.86560 2.80852 1.88386 -108.91641 459.13764
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450.0000 -111.71328 -109.21618 2.49710 1.85674 -109.25946 433.47801
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455.0000 -110.82841 -108.31594 2.51246 1.91028 -108.58206 474.96416
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460.0000 -110.36594 -108.15402 2.21192 1.96575 -107.88038 502.82786
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465.0000 -111.02665 -107.76267 3.26398 1.96056 -107.94604 494.32448
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470.0000 -111.64688 -109.10298 2.54389 1.92238 -108.42905 474.57778
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475.0000 -111.23445 -108.80073 2.43372 1.87584 -109.01787 418.94342
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480.0000 -111.45032 -108.85038 2.59995 1.90468 -108.65298 431.28441
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485.0000 -110.78579 -108.53650 2.24929 1.87368 -109.04510 408.51655
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490.0000 -111.07322 -108.15452 2.91871 1.93516 -108.26740 463.61040
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495.0000 -110.40694 -107.32320 3.08373 1.95476 -108.01942 496.28399
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500.0000 -110.68774 -107.81059 2.87714 1.97807 -107.72450 521.66850
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MELTING PROCESS: loop number 3 T-loop= 578.00000000000000
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main_MD> interactions number 3 at Temperature= 578.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 2.86009 -0.49963 -4.45750
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force_rgl> df(natom) 0.86877 2.27575 0.27536
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505.0000 -110.15795 -106.31741 3.84054 2.04768 -106.84377 553.49415
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510.0000 -110.26320 -106.14884 4.11436 2.07861 -106.45245 581.29678
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515.0000 -110.36276 -106.79409 3.56867 2.04543 -106.87223 564.50751
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520.0000 -109.56642 -106.30692 3.25949 2.05795 -106.71386 593.53979
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525.0000 -109.61015 -105.82071 3.78945 2.09762 -106.21195 608.70011
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530.0000 -109.61509 -106.51248 3.10260 2.08218 -106.40729 561.81838
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535.0000 -109.37583 -105.81812 3.55771 2.09881 -106.19690 592.55346
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540.0000 -108.97793 -105.25986 3.71807 2.15952 -105.42889 645.60550
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545.0000 -109.21296 -105.42560 3.78736 2.16652 -105.34024 649.46663
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550.0000 -110.51376 -106.89684 3.61692 2.10634 -106.10165 621.16289
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555.0000 -110.15119 -106.51264 3.63855 2.05669 -106.72981 577.99067
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560.0000 -110.05844 -106.03763 4.02081 2.06846 -106.58090 566.68028
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565.0000 -109.29451 -105.65214 3.64237 2.11847 -105.94820 619.10919
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570.0000 -108.79761 -105.77058 3.02702 2.15326 -105.50807 616.62760
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575.0000 -109.21913 -105.63310 3.58603 2.14630 -105.59605 618.40082
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580.0000 -110.00840 -106.93795 3.07045 2.09804 -106.20671 578.25287
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585.0000 -110.08751 -106.43071 3.65680 2.07294 -106.52417 596.81315
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590.0000 -109.71083 -106.35988 3.35096 2.08372 -106.38778 597.91091
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595.0000 -110.19679 -106.84805 3.34874 2.06388 -106.63878 579.49605
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600.0000 -110.28319 -106.98524 3.29795 2.03440 -107.01180 532.04923
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605.0000 -110.09726 -106.99317 3.10409 2.06960 -106.56643 572.61996
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610.0000 -110.06290 -106.39328 3.66962 2.05485 -106.75305 574.81763
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615.0000 -110.50631 -106.72522 3.78109 2.03186 -107.04393 571.23043
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620.0000 -109.80998 -106.18621 3.62377 2.09415 -106.25591 611.98009
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625.0000 -110.40089 -106.94675 3.45414 2.11113 -106.04107 603.83370
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630.0000 -109.43744 -105.66151 3.77593 2.07321 -106.52078 613.63986
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635.0000 -109.32061 -105.13579 4.18482 2.11411 -106.00330 629.81659
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640.0000 -109.71040 -106.37331 3.33710 2.16145 -105.40449 646.38981
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645.0000 -109.41942 -106.15714 3.26228 2.13642 -105.72107 639.50577
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650.0000 -110.04092 -106.59627 3.44465 2.10186 -106.15839 591.42571
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655.0000 -109.61114 -105.67076 3.94038 2.09584 -106.23444 599.60018
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660.0000 -110.16845 -106.84093 3.32752 2.06873 -106.57750 577.62507
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665.0000 -109.64061 -106.01717 3.62344 2.05912 -106.69912 552.76554
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670.0000 -110.00644 -106.42898 3.57746 2.10736 -106.08870 583.34620
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675.0000 -109.95021 -106.02746 3.92275 2.07914 -106.44577 565.51471
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680.0000 -110.36596 -107.20519 3.16077 2.05023 -106.81151 535.15424
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685.0000 -110.80641 -107.81345 2.99296 2.01863 -107.21127 525.65377
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690.0000 -110.33423 -107.69663 2.63761 1.99097 -107.56129 506.80370
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695.0000 -109.68510 -106.28195 3.40316 2.06444 -106.63174 573.58507
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700.0000 -109.84876 -106.57103 3.27773 2.06422 -106.63457 543.09362
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705.0000 -109.81847 -106.04616 3.77231 2.07943 -106.44217 582.02144
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710.0000 -109.39059 -106.90979 2.48080 2.07972 -106.43841 564.76057
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715.0000 -110.37847 -107.32519 3.05328 2.05649 -106.73240 550.14973
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720.0000 -110.55446 -106.51514 4.03931 2.03162 -107.04701 560.35998
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725.0000 -110.38481 -107.04019 3.34462 2.06882 -106.57637 609.02568
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730.0000 -110.18117 -107.26516 2.91601 2.06804 -106.58626 601.94719
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735.0000 -109.87440 -106.73139 3.14301 2.03358 -107.02222 551.52603
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740.0000 -109.90069 -107.20993 2.69076 2.06065 -106.67972 552.76720
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745.0000 -110.02281 -106.32540 3.69741 2.04925 -106.82397 552.34124
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750.0000 -109.85167 -106.87557 2.97610 2.04989 -106.81583 560.17360
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MELTING PROCESS: loop number 4 T-loop= 678.00000000000000
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main_MD> interactions number 4 at Temperature= 678.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 2.17437 -3.17288 -0.89949
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force_rgl> df(natom) 0.93958 -4.54080 0.74886
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755.0000 -109.71783 -105.39162 4.32622 2.14216 -105.64843 628.39281
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760.0000 -109.01880 -105.08169 3.93710 2.19217 -105.01584 676.61594
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765.0000 -109.26070 -105.22609 4.03461 2.17219 -105.26862 668.62348
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770.0000 -109.25898 -104.88138 4.37760 2.20304 -104.87832 677.43856
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775.0000 -109.49463 -104.61588 4.87875 2.22496 -104.60089 716.46880
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780.0000 -109.05646 -105.03822 4.01823 2.18968 -105.04734 702.52758
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785.0000 -109.69807 -106.07929 3.61878 2.14321 -105.63523 634.62917
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790.0000 -108.14786 -103.81010 4.33776 2.22287 -104.62738 718.84461
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795.0000 -107.69591 -103.68427 4.01164 2.28242 -103.87403 749.74166
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800.0000 -108.04848 -103.65888 4.38960 2.31445 -103.46880 748.64162
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805.0000 -108.11617 -104.23306 3.88310 2.27623 -103.95228 741.80684
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810.0000 -108.24494 -104.17356 4.07138 2.26443 -104.10153 751.16224
|
|
815.0000 -107.57075 -103.76074 3.81001 2.29659 -103.69473 779.48925
|
|
820.0000 -109.11998 -105.16956 3.95042 2.18761 -105.07349 682.93853
|
|
825.0000 -108.93209 -105.48901 3.44308 2.15764 -105.45265 653.73436
|
|
830.0000 -110.07100 -106.51431 3.55669 2.09901 -106.19435 613.72175
|
|
835.0000 -109.69148 -105.77309 3.91839 2.12879 -105.81758 615.49378
|
|
840.0000 -109.70514 -105.59579 4.10935 2.13766 -105.70546 646.24672
|
|
845.0000 -108.68390 -105.16447 3.51943 2.15690 -105.46196 649.69736
|
|
850.0000 -109.30242 -105.83555 3.46686 2.14341 -105.63269 649.12400
|
|
855.0000 -110.03355 -105.97258 4.06097 2.16495 -105.36017 655.68756
|
|
860.0000 -109.09397 -104.93160 4.16236 2.11808 -105.95314 635.68076
|
|
865.0000 -110.28466 -106.38982 3.89484 2.12551 -105.85911 636.17849
|
|
870.0000 -109.16813 -105.52756 3.64057 2.12161 -105.90844 638.19789
|
|
875.0000 -109.58764 -105.90636 3.68128 2.18678 -105.08402 676.04127
|
|
880.0000 -109.48620 -106.23207 3.25413 2.09698 -106.22002 569.65247
|
|
885.0000 -109.36529 -105.53741 3.82787 2.14242 -105.64513 631.45796
|
|
890.0000 -109.31578 -105.71231 3.60347 2.19494 -104.98070 689.77649
|
|
895.0000 -109.18755 -106.66118 2.52637 2.12375 -105.88135 625.44680
|
|
900.0000 -109.17544 -105.04485 4.13058 2.13608 -105.72536 624.91342
|
|
905.0000 -108.67073 -104.70043 3.97030 2.20846 -104.80971 702.86239
|
|
910.0000 -109.28030 -105.06195 4.21836 2.19834 -104.93771 701.23103
|
|
915.0000 -108.65663 -105.53363 3.12300 2.18581 -105.09628 667.73348
|
|
920.0000 -108.95981 -104.69812 4.26169 2.14207 -105.64962 625.45636
|
|
925.0000 -108.99545 -104.93424 4.06121 2.16982 -105.29851 666.31796
|
|
930.0000 -109.48430 -105.60322 3.88109 2.16826 -105.31826 641.49164
|
|
935.0000 -108.77446 -104.61075 4.16370 2.19450 -104.98635 696.79543
|
|
940.0000 -109.06217 -105.39046 3.67171 2.15024 -105.54624 646.69610
|
|
945.0000 -108.22868 -105.13464 3.09404 2.18139 -105.15215 670.00835
|
|
950.0000 -108.83536 -104.80909 4.02628 2.17763 -105.19971 658.73785
|
|
955.0000 -108.26238 -104.49745 3.76493 2.20828 -104.81193 708.00893
|
|
960.0000 -109.21099 -105.34311 3.86788 2.23701 -104.44852 701.39170
|
|
965.0000 -109.78337 -105.55684 4.22653 2.12077 -105.91907 623.15144
|
|
970.0000 -109.61674 -105.51421 4.10253 2.14247 -105.64460 638.48538
|
|
975.0000 -108.74866 -105.60341 3.14525 2.14615 -105.59800 661.61878
|
|
980.0000 -109.30284 -105.36821 3.93463 2.18738 -105.07633 644.34116
|
|
985.0000 -109.78027 -104.83575 4.94452 2.15897 -105.43585 643.96958
|
|
990.0000 -108.54266 -105.11838 3.42428 2.19250 -105.01158 689.50272
|
|
995.0000 -108.91107 -104.04077 4.87030 2.21735 -104.69719 704.07668
|
|
1000.0000 -108.21555 -104.51971 3.69585 2.26452 -104.10044 711.29057
|
|
MELTING PROCESS: loop number 5 T-loop= 778.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 778.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.08052 -0.61212 2.73276
|
|
force_rgl> df(natom) -2.83779 -0.11509 -0.82040
|
|
1005.0000 -107.22792 -102.76393 4.46399 2.27212 -104.00436 717.61686
|
|
1010.0000 -108.04361 -102.37011 5.67350 2.37378 -102.71809 813.02937
|
|
1015.0000 -108.10068 -104.38802 3.71266 2.23599 -104.46137 724.03200
|
|
1020.0000 -108.19139 -102.72424 5.46715 2.31624 -103.44611 762.94709
|
|
1025.0000 -107.10186 -102.31613 4.78572 2.41142 -102.24195 826.73208
|
|
1030.0000 -106.10929 -102.17681 3.93248 2.42460 -102.07521 853.95653
|
|
1035.0000 -107.59273 -103.73062 3.86211 2.35681 -102.93287 783.31952
|
|
1040.0000 -108.45544 -103.78674 4.66869 2.31278 -103.48993 748.06673
|
|
1045.0000 -108.68711 -105.12944 3.55767 2.22791 -104.56363 690.77096
|
|
1050.0000 -107.54053 -103.38102 4.15951 2.23486 -104.47571 725.29822
|
|
1055.0000 -108.98700 -104.36947 4.61753 2.25502 -104.22061 729.48076
|
|
1060.0000 -107.20910 -103.57401 3.63509 2.27853 -103.92316 742.22791
|
|
1065.0000 -107.58927 -102.91669 4.67258 2.31116 -103.51033 772.38927
|
|
1070.0000 -109.01234 -104.58711 4.42522 2.27114 -104.01672 754.26725
|
|
1075.0000 -109.04932 -104.44495 4.60437 2.24555 -104.34048 740.49490
|
|
1080.0000 -107.25422 -102.57019 4.68404 2.34842 -103.03904 800.52296
|
|
1085.0000 -107.58192 -103.12989 4.45204 2.41619 -102.18164 862.00263
|
|
1090.0000 -108.54106 -103.74442 4.79664 2.29148 -103.75943 761.32833
|
|
1095.0000 -107.29150 -102.34131 4.95019 2.37724 -102.67432 822.42062
|
|
1100.0000 -106.91331 -101.15922 5.75408 2.43086 -101.99598 858.23399
|
|
1105.0000 -107.11382 -102.94248 4.17134 2.38198 -102.61443 815.92914
|
|
1110.0000 -106.70239 -102.60257 4.09982 2.35436 -102.96389 784.70601
|
|
1115.0000 -107.29060 -103.44296 3.84764 2.36859 -102.78379 810.62846
|
|
1120.0000 -108.63280 -103.19192 5.44088 2.33577 -103.19908 818.84468
|
|
1125.0000 -107.50880 -102.84417 4.66463 2.30986 -103.52688 801.28369
|
|
1130.0000 -107.58137 -103.22638 4.35499 2.36359 -102.84705 802.88525
|
|
1135.0000 -106.51745 -102.42623 4.09122 2.33817 -103.16867 794.21012
|
|
1140.0000 -107.73560 -103.00955 4.72605 2.39739 -102.41945 856.32428
|
|
1145.0000 -108.88191 -103.65341 5.22850 2.35898 -102.90541 818.08815
|
|
1150.0000 -108.13280 -103.98479 4.14801 2.30049 -103.64533 757.29431
|
|
1155.0000 -107.94385 -103.36063 4.58322 2.30919 -103.53526 766.11907
|
|
1160.0000 -107.80968 -102.46508 5.34460 2.36376 -102.84490 820.27270
|
|
1165.0000 -108.82057 -104.77391 4.04666 2.30729 -103.55929 777.14718
|
|
1170.0000 -107.82104 -103.82823 3.99282 2.30157 -103.63176 794.02274
|
|
1175.0000 -107.37796 -102.57817 4.79980 2.36252 -102.86058 823.49146
|
|
1180.0000 -107.13295 -102.42251 4.71044 2.38426 -102.58552 818.91904
|
|
1185.0000 -107.23555 -101.98968 5.24587 2.35211 -102.99232 752.03375
|
|
1190.0000 -108.21938 -103.19388 5.02549 2.37737 -102.67269 824.78355
|
|
1195.0000 -107.38908 -103.00340 4.38568 2.34916 -103.02964 810.05756
|
|
1200.0000 -108.98821 -103.47981 5.50841 2.30314 -103.61183 784.95627
|
|
1205.0000 -107.72435 -102.80171 4.92265 2.33379 -103.22414 794.03062
|
|
1210.0000 -107.49753 -103.66374 3.83379 2.29694 -103.69026 773.26653
|
|
1215.0000 -108.79948 -104.94158 3.85791 2.21332 -104.74816 688.95848
|
|
1220.0000 -109.46978 -104.40224 5.06753 2.19964 -104.92126 681.71479
|
|
1225.0000 -107.55485 -103.20810 4.34675 2.29805 -103.67625 795.53902
|
|
1230.0000 -108.94519 -105.07106 3.87414 2.26517 -104.09227 781.85652
|
|
1235.0000 -107.10164 -103.16381 3.93783 2.19780 -104.94462 702.10666
|
|
1240.0000 -107.97709 -103.04935 4.92774 2.34683 -103.05908 786.88554
|
|
1245.0000 -107.80385 -103.05460 4.74925 2.31299 -103.48724 769.84142
|
|
1250.0000 -106.67717 -102.36844 4.30874 2.34275 -103.11066 759.99878
|
|
MELTING PROCESS: loop number 6 T-loop= 878.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 878.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.73488 1.71615 -2.10843
|
|
force_rgl> df(natom) -3.76807 -0.04305 0.60980
|
|
1255.0000 -105.77278 -101.17219 4.60059 2.44125 -101.86458 884.82382
|
|
1260.0000 -105.77861 -101.52197 4.25664 2.48311 -101.33495 905.39118
|
|
1265.0000 -106.39189 -101.09947 5.29242 2.49458 -101.18979 864.23706
|
|
1270.0000 -106.36366 -100.72614 5.63752 2.51085 -100.98404 959.46216
|
|
1275.0000 -106.64663 -101.37339 5.27324 2.48731 -101.28184 914.13072
|
|
1280.0000 -107.20551 -101.89278 5.31274 2.46399 -101.57683 908.91664
|
|
1285.0000 -107.27655 -101.74579 5.53076 2.41655 -102.17708 857.88131
|
|
1290.0000 -106.86785 -101.66970 5.19815 2.43871 -101.89662 852.41620
|
|
1295.0000 -106.97875 -102.04140 4.93734 2.48025 -101.37119 903.05928
|
|
1300.0000 -107.71949 -102.51758 5.20191 2.43286 -101.97068 882.41097
|
|
1305.0000 -108.23965 -103.12229 5.11736 2.41256 -102.22758 821.36656
|
|
1310.0000 -106.96830 -102.12943 4.83887 2.37425 -102.71219 827.51253
|
|
1315.0000 -108.85093 -103.69695 5.15398 2.35206 -102.99289 816.84787
|
|
1320.0000 -107.99073 -103.49241 4.49832 2.34475 -103.08536 842.32040
|
|
1325.0000 -107.40572 -102.78599 4.61973 2.30387 -103.60262 777.21142
|
|
1330.0000 -108.31556 -103.57989 4.73567 2.32675 -103.31319 793.23668
|
|
1335.0000 -108.06522 -103.45156 4.61366 2.31654 -103.44233 763.61356
|
|
1340.0000 -107.19208 -102.33274 4.85935 2.38444 -102.58331 833.42300
|
|
1345.0000 -107.27918 -101.63952 5.63966 2.44603 -101.80402 913.74939
|
|
1350.0000 -107.00578 -101.37955 5.62623 2.50395 -101.07130 923.54302
|
|
1355.0000 -106.97154 -102.25416 4.71738 2.49310 -101.20860 912.41238
|
|
1360.0000 -106.02416 -99.47030 6.55386 2.58902 -99.99500 968.58630
|
|
1365.0000 -106.73645 -101.38632 5.35013 2.56846 -100.25517 967.68232
|
|
1370.0000 -106.36660 -100.01271 6.35390 2.54261 -100.58214 954.68560
|
|
1375.0000 -105.54457 -100.31389 5.23068 2.60727 -99.76411 1011.13729
|
|
1380.0000 -106.60082 -102.22933 4.37149 2.50279 -101.08604 905.27833
|
|
1385.0000 -106.50971 -100.95394 5.55577 2.49498 -101.18482 932.30811
|
|
1390.0000 -106.82849 -101.76372 5.06477 2.51444 -100.93864 947.38698
|
|
1395.0000 -107.98976 -103.40924 4.58052 2.37496 -102.70316 843.71489
|
|
1400.0000 -107.25322 -101.77952 5.47370 2.43108 -101.99318 867.86982
|
|
1405.0000 -105.62365 -100.63444 4.98922 2.48528 -101.30756 919.36710
|
|
1410.0000 -106.93073 -101.04957 5.88116 2.52348 -100.82418 929.87250
|
|
1415.0000 -105.01916 -100.32708 4.69207 2.55555 -100.41843 955.06234
|
|
1420.0000 -104.95766 -100.60968 4.34798 2.51650 -100.91250 918.68961
|
|
1425.0000 -105.86626 -101.41747 4.44880 2.52443 -100.81218 916.02103
|
|
1430.0000 -105.84844 -101.42403 4.42441 2.52807 -100.76621 968.92704
|
|
1435.0000 -107.06292 -102.60877 4.45415 2.49676 -101.16222 937.02122
|
|
1440.0000 -108.06008 -103.46103 4.59905 2.32552 -103.32871 782.99115
|
|
1445.0000 -107.67082 -103.02615 4.64467 2.30036 -103.64703 751.75320
|
|
1450.0000 -106.30801 -101.90210 4.40591 2.38043 -102.63396 817.26052
|
|
1455.0000 -107.37934 -102.99398 4.38535 2.38396 -102.58935 835.11849
|
|
1460.0000 -107.72860 -100.85198 6.87662 2.47170 -101.47934 890.45087
|
|
1465.0000 -106.90830 -102.36337 4.54494 2.47040 -101.49582 899.40421
|
|
1470.0000 -106.61412 -100.86326 5.75086 2.49680 -101.16179 933.34387
|
|
1475.0000 -107.22574 -101.91172 5.31402 2.46210 -101.60070 897.57117
|
|
1480.0000 -105.59069 -99.43027 6.16042 2.48232 -101.34493 909.30090
|
|
1485.0000 -106.29188 -100.96049 5.33140 2.56471 -100.30254 974.55890
|
|
1490.0000 -106.03823 -100.58849 5.44974 2.53090 -100.73034 892.05516
|
|
1495.0000 -107.98520 -103.02550 4.95969 2.41284 -102.22402 860.17112
|
|
1500.0000 -107.40442 -102.00838 5.39604 2.37160 -102.74567 820.30347
|
|
MELTING PROCESS: loop number 7 T-loop= 978.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 978.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.57098 0.30016 -0.20325
|
|
force_rgl> df(natom) -0.59760 0.06881 -0.41646
|
|
1505.0000 -104.13152 -97.84604 6.28548 2.61448 -99.67293 1021.33731
|
|
1510.0000 -106.08916 -99.64345 6.44571 2.68719 -98.75307 1064.25108
|
|
1515.0000 -105.77914 -101.31706 4.46208 2.55459 -100.43067 937.96800
|
|
1520.0000 -105.03686 -99.53606 5.50081 2.52800 -100.76706 950.13916
|
|
1525.0000 -106.22281 -100.76681 5.45600 2.52612 -100.79081 954.79444
|
|
1530.0000 -107.04114 -100.64705 6.39409 2.53917 -100.62575 964.55364
|
|
1535.0000 -105.17356 -98.47919 6.69437 2.57665 -100.15158 965.43608
|
|
1540.0000 -105.30454 -100.38449 4.92005 2.64549 -99.28064 1029.00671
|
|
1545.0000 -107.05535 -101.04674 6.00861 2.48916 -101.25843 903.39218
|
|
1550.0000 -106.27398 -100.84953 5.42446 2.48442 -101.31844 919.68931
|
|
1555.0000 -105.26745 -99.29636 5.97109 2.59028 -99.97906 1007.55839
|
|
1560.0000 -106.22259 -100.84563 5.37696 2.54812 -100.51253 986.87312
|
|
1565.0000 -106.13948 -100.79107 5.34841 2.48686 -101.28753 893.25885
|
|
1570.0000 -105.85636 -100.05227 5.80409 2.52683 -100.78189 940.95284
|
|
1575.0000 -106.20068 -101.12551 5.07516 2.52884 -100.75645 923.08535
|
|
1580.0000 -105.23654 -100.24065 4.99590 2.52249 -100.83678 960.79050
|
|
1585.0000 -105.78246 -100.93322 4.84924 2.51041 -100.98953 905.54585
|
|
1590.0000 -105.49196 -100.05245 5.43950 2.54148 -100.59650 954.26864
|
|
1595.0000 -105.07747 -99.10459 5.97288 2.58739 -100.01568 977.08234
|
|
1600.0000 -106.74573 -100.33454 6.41119 2.61966 -99.60735 1027.37521
|
|
1605.0000 -106.14209 -100.06031 6.08178 2.55584 -100.41486 951.23258
|
|
1610.0000 -107.19724 -100.87061 6.32662 2.56317 -100.32210 958.98815
|
|
1615.0000 -105.14861 -99.21785 5.93077 2.61003 -99.72918 998.02697
|
|
1620.0000 -105.94447 -99.86316 6.08131 2.62843 -99.49650 979.35224
|
|
1625.0000 -105.25066 -99.97153 5.27913 2.57530 -100.16858 970.85264
|
|
1630.0000 -104.09174 -98.66151 5.43023 2.64677 -99.26446 1045.15294
|
|
1635.0000 -104.01015 -98.43751 5.57264 2.73263 -98.17814 1112.01310
|
|
1640.0000 -106.13889 -100.59123 5.54766 2.58973 -99.98607 986.22363
|
|
1645.0000 -105.89373 -100.27297 5.62076 2.49926 -101.13061 909.86507
|
|
1650.0000 -105.09398 -99.77506 5.31892 2.59678 -99.89683 990.51835
|
|
1655.0000 -103.90406 -98.36992 5.53415 2.68955 -98.72316 1048.01617
|
|
1660.0000 -108.02230 -101.91325 6.10905 2.63543 -99.40794 1029.27509
|
|
1665.0000 -105.26523 -99.51124 5.75399 2.54256 -100.58277 930.24334
|
|
1670.0000 -104.61633 -99.33565 5.28068 2.61355 -99.68470 1007.16098
|
|
1675.0000 -104.48988 -99.11150 5.37838 2.63760 -99.38039 960.07067
|
|
1680.0000 -105.67887 -99.99113 5.68774 2.64137 -99.33268 1015.05057
|
|
1685.0000 -106.86493 -101.65963 5.20530 2.50031 -101.11737 925.98060
|
|
1690.0000 -107.58233 -100.72680 6.85553 2.46247 -101.59611 874.23059
|
|
1695.0000 -107.32369 -101.87686 5.44683 2.48267 -101.34046 903.98465
|
|
1700.0000 -107.59690 -102.47362 5.12328 2.47582 -101.42715 907.91292
|
|
1705.0000 -107.53990 -102.71698 4.82291 2.42820 -102.02970 882.98834
|
|
1710.0000 -106.58836 -101.06058 5.52778 2.44543 -101.81167 888.47224
|
|
1715.0000 -105.76609 -99.59348 6.17261 2.60649 -99.77400 1028.25563
|
|
1720.0000 -105.64715 -99.51084 6.13631 2.65890 -99.11099 1047.35724
|
|
1725.0000 -105.30618 -99.36304 5.94314 2.67508 -98.90625 1037.02354
|
|
1730.0000 -105.96795 -99.26353 6.70442 2.69150 -98.69846 1069.91136
|
|
1735.0000 -105.54168 -99.27535 6.26633 2.66253 -99.06499 1051.80786
|
|
1740.0000 -105.68256 -100.25783 5.42474 2.62246 -99.57198 1012.57192
|
|
1745.0000 -107.49156 -101.05451 6.43705 2.57776 -100.13753 974.28358
|
|
1750.0000 -104.57388 -99.80027 4.77360 2.56507 -100.29800 943.68164
|
|
MELTING PROCESS: loop number 8 T-loop= 1078.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1078.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.52122 -1.15631 1.87076
|
|
force_rgl> df(natom) -0.12661 -0.53010 -1.61190
|
|
1755.0000 -106.64380 -100.16299 6.48081 2.57981 -100.11160 932.58937
|
|
1760.0000 -105.48150 -98.20797 7.27353 2.67745 -98.87633 1057.56855
|
|
1765.0000 -103.92987 -97.81964 6.11023 2.76333 -97.78980 1177.49027
|
|
1770.0000 -104.23656 -98.54047 5.69609 2.77323 -97.66455 1143.99926
|
|
1775.0000 -104.40480 -98.15972 6.24508 2.69913 -98.60196 1093.77725
|
|
1780.0000 -104.91452 -99.39939 5.51513 2.66872 -98.98674 1068.56741
|
|
1785.0000 -104.71588 -97.60405 7.11183 2.76732 -97.73932 1140.02578
|
|
1790.0000 -104.44881 -98.11578 6.33303 2.75679 -97.87250 1074.41527
|
|
1795.0000 -105.98715 -99.75578 6.23136 2.62648 -99.52113 1002.87902
|
|
1800.0000 -104.67583 -97.23786 7.43797 2.64215 -99.32281 1032.38287
|
|
1805.0000 -104.86550 -98.01894 6.84657 2.72023 -98.33498 1126.39758
|
|
1810.0000 -104.90757 -97.47447 7.43310 2.69375 -98.67002 1059.83520
|
|
1815.0000 -103.50880 -96.53612 6.97268 2.79052 -97.44570 1130.83081
|
|
1820.0000 -104.18418 -98.05038 6.13380 2.80492 -97.26357 1163.87845
|
|
1825.0000 -105.44378 -99.32330 6.12048 2.69910 -98.60240 1087.38847
|
|
1830.0000 -104.96447 -98.87356 6.09091 2.63670 -99.39178 991.03596
|
|
1835.0000 -104.34945 -98.29595 6.05350 2.71199 -98.43926 1092.22898
|
|
1840.0000 -105.22825 -99.80196 5.42630 2.67720 -98.87944 1089.30686
|
|
1845.0000 -105.55383 -99.17745 6.37637 2.65232 -99.19425 1040.24621
|
|
1850.0000 -104.68328 -99.41630 5.26698 2.67654 -98.88777 1088.59061
|
|
1855.0000 -105.21343 -99.63664 5.57679 2.65377 -99.17586 1041.24482
|
|
1860.0000 -104.88996 -97.14779 7.74218 2.69665 -98.63331 1065.59888
|
|
1865.0000 -104.00471 -97.26915 6.73556 2.80831 -97.22066 1147.05317
|
|
1870.0000 -105.06845 -98.68103 6.38742 2.78244 -97.54804 1151.84239
|
|
1875.0000 -106.39512 -99.65069 6.74443 2.67931 -98.85276 1077.13425
|
|
1880.0000 -103.91000 -98.31326 5.59674 2.70291 -98.55415 1118.90921
|
|
1885.0000 -103.64648 -97.84462 5.80186 2.74942 -97.96580 1075.96695
|
|
1890.0000 -104.95177 -96.80872 8.14305 2.83327 -96.90488 1197.79823
|
|
1895.0000 -103.85682 -97.06659 6.79023 2.85708 -96.60370 1227.72947
|
|
1900.0000 -103.90527 -99.47602 4.42925 2.65990 -99.09830 1048.11047
|
|
1905.0000 -105.10264 -99.53495 5.56769 2.63586 -99.40238 990.26748
|
|
1910.0000 -104.88146 -98.23063 6.65083 2.70134 -98.57397 1071.57389
|
|
1915.0000 -105.37750 -98.89128 6.48622 2.74592 -98.01002 1139.41268
|
|
1920.0000 -102.64907 -95.84237 6.80670 2.77134 -97.68841 1142.94148
|
|
1925.0000 -102.82787 -96.61991 6.20796 2.84184 -96.79652 1206.22141
|
|
1930.0000 -103.46681 -97.76610 5.70071 2.78655 -97.49593 1137.62698
|
|
1935.0000 -104.04310 -97.80745 6.23565 2.74215 -98.05768 1107.81075
|
|
1940.0000 -102.94192 -97.01074 5.93118 2.80003 -97.32548 1133.32419
|
|
1945.0000 -104.35581 -96.29654 8.05928 2.84845 -96.71282 1185.30412
|
|
1950.0000 -104.18317 -97.68817 6.49500 2.82106 -97.05934 1150.42889
|
|
1955.0000 -104.09644 -98.59900 5.49745 2.80695 -97.23794 1145.18518
|
|
1960.0000 -104.17121 -97.38979 6.78141 2.74611 -98.00755 1105.07410
|
|
1965.0000 -103.35355 -95.51639 7.83716 2.91798 -95.83320 1244.62025
|
|
1970.0000 -104.76348 -98.44247 6.32101 2.84330 -96.77797 1170.35153
|
|
1975.0000 -105.97023 -100.59408 5.37615 2.62232 -99.57371 985.09446
|
|
1980.0000 -106.45876 -100.43031 6.02845 2.63658 -99.39328 1042.36878
|
|
1985.0000 -104.10360 -98.64588 5.45772 2.64161 -99.32971 1037.62155
|
|
1990.0000 -104.52497 -100.13494 4.39003 2.60898 -99.74252 957.88307
|
|
1995.0000 -107.08892 -100.42451 6.66440 2.59201 -99.95717 988.21158
|
|
2000.0000 -104.76576 -98.86540 5.90036 2.61639 -99.64871 1002.31023
|
|
MELTING PROCESS: loop number 9 T-loop= 1178.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1178.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.21384 -1.57065 -0.22022
|
|
force_rgl> df(natom) 2.37489 -0.93905 -1.67462
|
|
2005.0000 -104.31589 -98.92917 5.38672 2.69563 -98.64621 1035.98405
|
|
2010.0000 -106.35899 -99.35329 7.00570 2.66816 -98.99376 1031.02928
|
|
2015.0000 -107.52032 -101.40608 6.11423 2.54954 -100.49449 960.21526
|
|
2020.0000 -104.43791 -98.55432 5.88359 2.60005 -99.85544 1008.18611
|
|
2025.0000 -103.86792 -97.28286 6.58506 2.73497 -98.14853 1081.42831
|
|
2030.0000 -103.38203 -96.75618 6.62585 2.79567 -97.38059 1170.93838
|
|
2035.0000 -102.39316 -93.78309 8.61006 2.86770 -96.46936 1158.52397
|
|
2040.0000 -101.59820 -95.03960 6.55861 2.99959 -94.80076 1344.30813
|
|
2045.0000 -103.33742 -95.94944 7.38799 2.96391 -95.25213 1265.27738
|
|
2050.0000 -103.39347 -97.05081 6.34266 2.92301 -95.76959 1249.43719
|
|
2055.0000 -102.47699 -94.47624 8.00076 3.02669 -94.45780 1355.36036
|
|
2060.0000 -104.87082 -98.07036 6.80047 2.93005 -95.68050 1265.34160
|
|
2065.0000 -105.15263 -97.62260 7.53003 2.81354 -97.15451 1161.24982
|
|
2070.0000 -101.87381 -94.81944 7.05437 2.93146 -95.66265 1283.38683
|
|
2075.0000 -103.18464 -95.88931 7.29534 2.90812 -95.95797 1226.05906
|
|
2080.0000 -103.47106 -96.80664 6.66443 2.86045 -96.56108 1197.76718
|
|
2085.0000 -102.03736 -94.63844 7.39892 2.89431 -96.13269 1232.93893
|
|
2090.0000 -103.06338 -96.10266 6.96072 2.85626 -96.61402 1247.49727
|
|
2095.0000 -101.47633 -95.12681 6.34952 2.85958 -96.57201 1209.51993
|
|
2100.0000 -101.81287 -94.75847 7.05440 2.93337 -95.63850 1270.60176
|
|
2105.0000 -103.68636 -96.43132 7.25504 2.96168 -95.28036 1341.06720
|
|
2110.0000 -104.02589 -97.65292 6.37296 2.80814 -97.22282 1170.65973
|
|
2115.0000 -101.94961 -95.50938 6.44022 2.81774 -97.10134 1158.54385
|
|
2120.0000 -103.86125 -95.91485 7.94640 3.02606 -94.46586 1363.07284
|
|
2125.0000 -102.96750 -95.50988 7.45762 2.91487 -95.87260 1260.62973
|
|
2130.0000 -103.22270 -95.45991 7.76279 2.84422 -96.76639 1168.56464
|
|
2135.0000 -103.88546 -96.96063 6.92483 2.88702 -96.22494 1205.44772
|
|
2140.0000 -104.48383 -98.14115 6.34269 2.69855 -98.60930 1088.11729
|
|
2145.0000 -104.28333 -97.62528 6.65805 2.76710 -97.74208 1119.88413
|
|
2150.0000 -103.83596 -96.95716 6.87880 2.82621 -96.99429 1136.99575
|
|
2155.0000 -103.69693 -98.38956 5.30737 2.73276 -98.17646 1088.57972
|
|
2160.0000 -103.82645 -95.87742 7.94903 2.85223 -96.66505 1119.84476
|
|
2165.0000 -102.94175 -95.09642 7.84533 2.95447 -95.37150 1263.07432
|
|
2170.0000 -101.93563 -95.01824 6.91739 3.01240 -94.63870 1274.27117
|
|
2175.0000 -101.86594 -94.67219 7.19375 2.98946 -94.92893 1285.23728
|
|
2180.0000 -103.73841 -96.55222 7.18618 2.88954 -96.19302 1206.01858
|
|
2185.0000 -103.08650 -95.77842 7.30808 2.83937 -96.82775 1155.94809
|
|
2190.0000 -103.62484 -98.17543 5.44941 2.85701 -96.60456 1183.91988
|
|
2195.0000 -104.59335 -96.67598 7.91738 2.79527 -97.38572 1126.02059
|
|
2200.0000 -103.04742 -96.16263 6.88479 2.89251 -96.15541 1219.77528
|
|
2205.0000 -101.33904 -94.05291 7.28613 3.00376 -94.74797 1271.41998
|
|
2210.0000 -103.01898 -96.50284 6.51614 2.96122 -95.28617 1210.27162
|
|
2215.0000 -103.33017 -97.15891 6.17127 2.84787 -96.72023 1186.55891
|
|
2220.0000 -104.24233 -96.24345 7.99888 2.84242 -96.78910 1159.44522
|
|
2225.0000 -104.76977 -97.92415 6.84562 2.83272 -96.91190 1165.63411
|
|
2230.0000 -103.82280 -97.16897 6.65383 2.75596 -97.88299 1122.65649
|
|
2235.0000 -103.31771 -95.17686 8.14085 2.90641 -95.97953 1235.40863
|
|
2240.0000 -102.95871 -96.67859 6.28012 2.90771 -95.96316 1203.96760
|
|
2245.0000 -103.28990 -96.23384 7.05606 2.88064 -96.30563 1205.97577
|
|
2250.0000 -103.68816 -96.51655 7.17161 2.86297 -96.52921 1199.64935
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 16.7402740 [s].
|
|
main_MD> Deallocating global variables
|