1979 lines
195 KiB
Plaintext
1979 lines
195 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 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [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_50.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 = 50 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: 1750
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main_MD> Size of nv and nvoiz: 50 5000
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main_MD> Size of nv and nvoiz: 50 5000
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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 = 50
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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> -1.6746445176453052E-002 -1.3762513847561593E-002 -3.0116923771707604E-002 initial drift of cluster / NP1 for coalescence
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init> 0.29420503019215677 0.30950185578472783 0.29129162074774462 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9325694876414013E-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) -0.60904 0.59787 2.76365
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force_rgl> df(natom) -0.98918 0.18517 0.50584
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preparo> THERMALIZATION PROCESS AT 324.07135009484620
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -123.73080821754164 1.8845708417860443 -125.61537905932768 3.7764648980132134E-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 35
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MELTING PROCESS: loop number 1 T-loop= 349.00000000000000
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main_MD> interactions number 1 at Temperature= 349.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.84703 -0.90095 -0.72413
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force_rgl> df(natom) -0.54660 -0.20246 -0.35391
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5.0000 -125.36279 -122.87082 2.49197 1.77177 -123.45339 328.42409
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10.0000 -125.26283 -122.68229 2.58054 1.83131 -122.64526 380.77938
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15.0000 -125.65479 -122.91337 2.74141 1.83489 -122.59668 386.92288
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20.0000 -125.21640 -123.00987 2.20653 1.79547 -123.13167 352.19786
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25.0000 -125.72258 -123.20852 2.51405 1.80941 -122.94254 366.12332
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30.0000 -125.68648 -123.74865 1.93783 1.79210 -123.17749 342.01706
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35.0000 -125.47429 -123.41895 2.05534 1.74697 -123.79002 302.45472
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40.0000 -125.60050 -123.43978 2.16072 1.77840 -123.36344 336.30606
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45.0000 -125.18514 -122.81937 2.36577 1.78755 -123.23924 340.17974
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50.0000 -125.26161 -122.44860 2.81300 1.82353 -122.75089 385.53488
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55.0000 -125.74209 -123.27169 2.47040 1.81662 -122.84466 390.05089
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60.0000 -125.46416 -123.07505 2.38911 1.79689 -123.11238 366.80148
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65.0000 -125.39451 -122.85350 2.54100 1.80762 -122.96689 378.93532
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70.0000 -125.07948 -122.42387 2.65561 1.83007 -122.66206 376.27178
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75.0000 -125.59703 -123.16107 2.43596 1.83240 -122.63049 402.55204
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80.0000 -125.23955 -123.10812 2.13143 1.79408 -123.15054 373.82231
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85.0000 -125.21590 -123.23985 1.97605 1.77627 -123.39228 352.97900
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90.0000 -125.20655 -122.82828 2.37827 1.79237 -123.17386 359.46016
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95.0000 -125.41072 -122.72157 2.68914 1.83335 -122.61755 402.08304
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100.0000 -125.42100 -123.35943 2.06158 1.79926 -123.08027 373.84383
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105.0000 -125.72512 -123.78577 1.93935 1.77043 -123.47155 349.64493
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110.0000 -125.79148 -123.85300 1.93848 1.76268 -123.57676 334.22379
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115.0000 -125.78767 -123.92837 1.85930 1.74196 -123.85798 318.39151
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120.0000 -125.98355 -123.63923 2.34432 1.75832 -123.63587 332.04250
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125.0000 -125.87778 -123.34239 2.53538 1.76328 -123.56864 330.86880
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130.0000 -126.19982 -123.89764 2.30218 1.77423 -123.41998 346.74745
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135.0000 -125.83990 -123.84076 1.99914 1.74915 -123.76042 321.08709
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140.0000 -125.73795 -123.42556 2.31238 1.77368 -123.42751 346.83618
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145.0000 -125.94952 -123.35508 2.59444 1.77396 -123.42369 340.48178
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150.0000 -125.34748 -123.37582 1.97166 1.79549 -123.13145 374.13759
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155.0000 -125.24521 -122.64444 2.60077 1.81289 -122.89526 377.97326
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160.0000 -125.52441 -123.39024 2.13417 1.81306 -122.89293 384.19280
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165.0000 -125.74136 -123.28438 2.45698 1.75307 -123.70715 326.41818
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170.0000 -125.27335 -123.00763 2.26572 1.79140 -123.18693 366.60489
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175.0000 -125.18599 -123.26434 1.92165 1.77741 -123.37678 347.83091
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180.0000 -125.43658 -123.37703 2.05955 1.79619 -123.12198 364.80206
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185.0000 -125.52917 -123.31151 2.21766 1.78186 -123.31639 356.28983
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190.0000 -125.59905 -123.09030 2.50875 1.76788 -123.50619 344.64574
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195.0000 -125.57385 -123.24532 2.32852 1.78552 -123.26672 362.65139
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200.0000 -125.54757 -122.80857 2.73900 1.79836 -123.09253 372.03867
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205.0000 -125.99026 -123.44822 2.54205 1.80283 -123.03179 377.76244
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210.0000 -125.86992 -123.36205 2.50787 1.76848 -123.49799 345.91771
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215.0000 -125.81944 -123.22871 2.59072 1.77873 -123.35887 353.64619
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220.0000 -125.36782 -123.27925 2.08857 1.78166 -123.31917 351.48673
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225.0000 -126.10267 -123.48359 2.61907 1.77453 -123.41586 348.72405
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230.0000 -125.97759 -123.79320 2.18439 1.74416 -123.82811 320.35603
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235.0000 -125.82029 -123.92218 1.89811 1.73258 -123.98521 298.39143
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240.0000 -125.43138 -123.31440 2.11698 1.76674 -123.52170 317.32194
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245.0000 -125.04910 -122.54907 2.50003 1.81226 -122.90385 353.98070
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250.0000 -125.26430 -122.49806 2.76624 1.82802 -122.68991 384.03311
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MELTING PROCESS: loop number 2 T-loop= 374.00000000000000
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main_MD> interactions number 2 at Temperature= 374.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.99772 -0.89353 -0.26582
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force_rgl> df(natom) -1.10989 1.92550 2.25128
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255.0000 -125.10472 -122.46179 2.64293 1.84404 -122.47255 409.85492
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260.0000 -125.59523 -123.45608 2.13914 1.80282 -123.03194 365.25269
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265.0000 -125.25777 -122.28729 2.97047 1.79585 -123.12658 368.91576
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270.0000 -125.91335 -122.96908 2.94426 1.82125 -122.78183 402.03370
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275.0000 -126.17813 -123.91174 2.26640 1.77787 -123.37054 363.29339
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280.0000 -125.49026 -123.47139 2.01887 1.76867 -123.49551 362.55353
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285.0000 -125.69215 -123.46870 2.22344 1.74995 -123.74959 340.49605
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290.0000 -125.45966 -123.11104 2.34862 1.78163 -123.31957 370.32807
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295.0000 -125.61787 -123.28820 2.32967 1.79052 -123.19887 380.63229
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300.0000 -125.02887 -122.22167 2.80720 1.82002 -122.79850 394.54684
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305.0000 -125.60622 -122.58659 3.01963 1.84410 -122.47172 432.21539
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310.0000 -125.74173 -123.13407 2.60765 1.81688 -122.84112 404.67864
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315.0000 -125.77310 -123.36089 2.41221 1.81169 -122.91154 396.27584
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320.0000 -125.89739 -123.49270 2.40469 1.75984 -123.61529 354.24917
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325.0000 -125.71137 -123.49007 2.22130 1.77065 -123.46852 360.23883
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330.0000 -125.92394 -124.00033 1.92361 1.74125 -123.86755 337.53761
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335.0000 -125.79778 -123.27137 2.52641 1.75998 -123.61344 348.15644
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340.0000 -125.77511 -123.46985 2.30526 1.78593 -123.26123 361.00916
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345.0000 -125.85885 -123.48262 2.37623 1.77986 -123.34353 366.15443
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350.0000 -125.69114 -123.46329 2.22784 1.75263 -123.71311 346.49082
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355.0000 -125.53617 -122.62133 2.91484 1.81044 -122.92861 397.24648
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360.0000 -125.08513 -122.66677 2.41836 1.85073 -122.38179 431.87041
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365.0000 -125.76040 -123.37737 2.38303 1.79995 -123.07090 381.49886
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370.0000 -125.74599 -123.34977 2.39622 1.76975 -123.48085 363.32977
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375.0000 -125.58228 -123.10426 2.47802 1.77089 -123.46537 362.71633
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380.0000 -126.09187 -123.69106 2.40081 1.77175 -123.45363 359.57588
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385.0000 -125.92872 -123.21174 2.71697 1.78148 -123.32163 375.74488
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390.0000 -125.73472 -123.72847 2.00625 1.76582 -123.53407 358.09240
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395.0000 -125.92221 -123.57158 2.35063 1.75409 -123.69340 343.46611
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400.0000 -125.18449 -122.75697 2.42752 1.79930 -123.07981 385.61438
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405.0000 -125.53293 -122.89860 2.63433 1.82214 -122.76969 416.03260
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410.0000 -125.64842 -123.37356 2.27486 1.79378 -123.15463 378.59326
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415.0000 -125.91827 -123.35045 2.56782 1.78979 -123.20883 380.71214
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420.0000 -125.21163 -122.66540 2.54623 1.80158 -123.04883 390.54517
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425.0000 -125.49563 -123.38639 2.10924 1.82292 -122.75911 399.47492
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430.0000 -125.34041 -123.17026 2.17016 1.80154 -123.04937 373.57447
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435.0000 -125.63320 -123.02375 2.60945 1.80782 -122.96416 378.18287
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440.0000 -125.75771 -123.90738 1.85033 1.76593 -123.53259 342.00432
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445.0000 -125.41152 -123.25284 2.15869 1.78690 -123.24799 354.06485
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450.0000 -125.30950 -122.94298 2.36652 1.82917 -122.67437 403.87078
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455.0000 -126.27220 -123.69560 2.57660 1.81014 -122.93260 394.37323
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460.0000 -126.07226 -123.45606 2.61619 1.74828 -123.77220 336.25918
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465.0000 -125.97843 -123.84508 2.13335 1.76535 -123.54047 348.46801
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470.0000 -125.70727 -123.20179 2.50547 1.75981 -123.61574 338.81058
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475.0000 -125.89402 -123.65674 2.23727 1.78880 -123.22226 381.86437
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480.0000 -125.72774 -123.91617 1.81156 1.75665 -123.65863 347.48705
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485.0000 -125.90844 -123.33578 2.57265 1.74743 -123.78366 336.94359
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490.0000 -125.59809 -123.48321 2.11488 1.77852 -123.36177 370.73668
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495.0000 -125.60120 -123.34893 2.25227 1.76340 -123.56705 356.98315
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500.0000 -125.65928 -123.63418 2.02510 1.77970 -123.34573 368.01405
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MELTING PROCESS: loop number 3 T-loop= 399.00000000000000
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main_MD> interactions number 3 at Temperature= 399.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.50033 0.28273 -0.82616
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force_rgl> df(natom) -2.71977 -0.78004 0.07228
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505.0000 -126.16512 -123.71585 2.44926 1.76869 -123.49518 354.20394
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510.0000 -125.29254 -122.73378 2.55875 1.79947 -123.07748 389.50837
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515.0000 -125.47216 -123.24328 2.22888 1.80139 -123.05134 382.22256
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520.0000 -126.07033 -123.07719 2.99314 1.78784 -123.23521 377.40050
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525.0000 -125.34561 -122.93759 2.40802 1.81848 -122.81938 404.81113
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530.0000 -125.40648 -123.22075 2.18573 1.79092 -123.19349 379.50820
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535.0000 -125.63222 -123.14843 2.48379 1.79144 -123.18639 372.37112
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540.0000 -125.56671 -122.92914 2.63757 1.82004 -122.79823 391.88706
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545.0000 -125.16935 -122.73792 2.43143 1.79932 -123.07942 387.72956
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550.0000 -125.58859 -123.15829 2.43031 1.80258 -123.03526 394.88527
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555.0000 -125.86436 -123.33261 2.53175 1.78078 -123.33105 365.02692
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560.0000 -125.83580 -123.37583 2.45998 1.77708 -123.38128 364.67987
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565.0000 -125.47437 -123.08749 2.38688 1.78318 -123.29858 372.75028
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570.0000 -125.59454 -123.45893 2.13561 1.79517 -123.13578 383.35745
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575.0000 -125.58426 -122.74017 2.84409 1.79671 -123.11493 383.85701
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580.0000 -125.72448 -123.11581 2.60867 1.82479 -122.73385 415.73541
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585.0000 -125.60073 -122.56755 3.03318 1.82953 -122.66942 416.88928
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590.0000 -125.45816 -123.16665 2.29152 1.78628 -123.25649 382.41972
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595.0000 -125.71778 -123.10006 2.61772 1.80517 -123.00008 389.92827
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600.0000 -124.83136 -122.17890 2.65245 1.82935 -122.67190 408.07345
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605.0000 -125.68145 -122.98606 2.69540 1.81155 -122.91352 385.14747
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610.0000 -125.86905 -123.59712 2.27193 1.78920 -123.21683 382.87280
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615.0000 -125.68933 -123.20971 2.47962 1.80343 -123.02364 398.31098
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620.0000 -125.30121 -122.16581 3.13540 1.82477 -122.73409 411.69846
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625.0000 -124.90932 -122.74716 2.16217 1.84837 -122.41379 434.08987
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630.0000 -125.99050 -122.96172 3.02878 1.81035 -122.92975 410.38738
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635.0000 -125.54968 -123.05877 2.49091 1.80999 -122.93462 405.92326
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640.0000 -125.55576 -122.43734 3.11842 1.83740 -122.56265 418.56152
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645.0000 -125.67492 -123.18862 2.48631 1.82313 -122.75637 397.37701
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650.0000 -125.31124 -122.22306 3.08817 1.82724 -122.70048 402.00834
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655.0000 -125.05522 -122.62461 2.43062 1.85246 -122.35823 426.56812
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660.0000 -126.00470 -123.43160 2.57310 1.83257 -122.62818 412.59156
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665.0000 -125.61419 -122.94320 2.67099 1.77478 -123.41249 359.18259
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670.0000 -125.39050 -123.16340 2.22709 1.80938 -122.94299 395.40115
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675.0000 -125.19862 -122.38806 2.81055 1.78508 -123.27278 374.83285
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680.0000 -125.46697 -122.64096 2.82601 1.81522 -122.86372 406.94442
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685.0000 -124.62397 -122.29956 2.32441 1.82816 -122.68806 416.47395
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690.0000 -125.62221 -122.90846 2.71375 1.82061 -122.79054 405.16049
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695.0000 -125.53186 -123.41499 2.11688 1.79086 -123.19425 381.07872
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700.0000 -125.38179 -122.89598 2.48580 1.79813 -123.09559 390.12613
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705.0000 -125.37726 -122.12585 3.25141 1.82969 -122.66724 421.64716
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710.0000 -125.54603 -122.76452 2.78151 1.82576 -122.72069 411.35938
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715.0000 -125.54175 -122.67583 2.86592 1.82258 -122.76376 404.35693
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720.0000 -125.39518 -122.96722 2.42797 1.80856 -122.95411 391.16970
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725.0000 -125.20326 -123.15080 2.05246 1.83291 -122.62365 386.37471
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730.0000 -125.57271 -123.10021 2.47250 1.79004 -123.20541 343.89806
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735.0000 -124.98947 -122.22783 2.76164 1.81403 -122.87981 368.90142
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740.0000 -124.75329 -122.31205 2.44124 1.87744 -122.01918 441.24602
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745.0000 -124.98932 -121.97852 3.01080 1.85873 -122.27320 440.43537
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750.0000 -124.44200 -121.75678 2.68521 1.89318 -121.80566 466.91143
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MELTING PROCESS: loop number 4 T-loop= 424.00000000000000
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main_MD> interactions number 4 at Temperature= 424.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.37156 1.64183 1.02013
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force_rgl> df(natom) -4.13612 3.02749 -1.09195
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755.0000 -124.31302 -121.13553 3.17749 1.88761 -121.88119 428.35683
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760.0000 -125.54172 -122.18667 3.35505 1.87377 -122.06909 461.99452
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765.0000 -125.50978 -122.89199 2.61780 1.86571 -122.17844 454.87258
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770.0000 -125.21376 -122.86958 2.34417 1.80522 -122.99934 396.10922
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775.0000 -125.53765 -122.46786 3.06979 1.82257 -122.76391 416.32377
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780.0000 -125.50747 -122.90960 2.59787 1.79251 -123.17186 382.66668
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785.0000 -125.25135 -122.80197 2.44938 1.81942 -122.80674 408.59311
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790.0000 -125.89557 -123.34632 2.54925 1.82007 -122.79785 403.92341
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795.0000 -125.30429 -122.80952 2.49477 1.81079 -122.92374 398.15432
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800.0000 -125.54065 -123.05284 2.48782 1.84039 -122.52200 422.45966
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805.0000 -125.30790 -122.91735 2.39054 1.81952 -122.80527 400.80604
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810.0000 -125.29510 -122.13288 3.16223 1.84129 -122.50982 425.39619
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815.0000 -125.24625 -122.46120 2.78505 1.84823 -122.41568 409.35861
|
|
820.0000 -125.79889 -123.09828 2.70061 1.78730 -123.24263 381.87527
|
|
825.0000 -125.23446 -122.60134 2.63312 1.81968 -122.80321 414.08084
|
|
830.0000 -125.31614 -122.57937 2.73677 1.80708 -122.97413 396.22796
|
|
835.0000 -125.22055 -122.16475 3.05580 1.84099 -122.51391 426.26728
|
|
840.0000 -125.55247 -122.65816 2.89432 1.84570 -122.44998 420.68362
|
|
845.0000 -125.23577 -121.97624 3.25952 1.86397 -122.20197 435.50493
|
|
850.0000 -124.51772 -121.84203 2.67569 1.86027 -122.25226 446.60929
|
|
855.0000 -125.27575 -122.71276 2.56300 1.84372 -122.47690 427.97199
|
|
860.0000 -124.56068 -122.36048 2.20020 1.82806 -122.68946 418.04533
|
|
865.0000 -125.11225 -122.51145 2.60080 1.85651 -122.30334 431.81765
|
|
870.0000 -125.24368 -122.52368 2.72000 1.81578 -122.85610 404.82955
|
|
875.0000 -124.80445 -121.94250 2.86195 1.84839 -122.41345 429.93033
|
|
880.0000 -125.03552 -122.57261 2.46291 1.85236 -122.35964 426.06633
|
|
885.0000 -124.96619 -122.22012 2.74607 1.87452 -122.05888 448.36219
|
|
890.0000 -125.11592 -122.11774 2.99818 1.87547 -122.04600 457.78885
|
|
895.0000 -125.21472 -122.78652 2.42820 1.83951 -122.53402 428.59409
|
|
900.0000 -125.34012 -122.74253 2.59759 1.80940 -122.94269 394.86910
|
|
905.0000 -125.40985 -122.36217 3.04768 1.85464 -122.32868 441.19340
|
|
910.0000 -124.92688 -122.35734 2.56953 1.85894 -122.27029 441.91544
|
|
915.0000 -125.42774 -122.99350 2.43424 1.81583 -122.85535 405.10279
|
|
920.0000 -125.62585 -122.42936 3.19648 1.83378 -122.61181 416.73916
|
|
925.0000 -125.36670 -122.59333 2.77336 1.84008 -122.52628 436.58588
|
|
930.0000 -125.17579 -122.67594 2.49985 1.83557 -122.58742 428.88177
|
|
935.0000 -125.00619 -122.19139 2.81480 1.84700 -122.43237 418.40658
|
|
940.0000 -125.51752 -122.61735 2.90017 1.87167 -122.09753 453.42194
|
|
945.0000 -125.07518 -122.26080 2.81438 1.84381 -122.47559 426.46088
|
|
950.0000 -125.50196 -122.93593 2.56603 1.84827 -122.41512 415.37346
|
|
955.0000 -125.06357 -122.63028 2.43330 1.82389 -122.74604 393.86529
|
|
960.0000 -125.30758 -123.14902 2.15856 1.82231 -122.76749 390.99838
|
|
965.0000 -125.30931 -122.94521 2.36410 1.80629 -122.98491 381.94599
|
|
970.0000 -125.15136 -122.36740 2.78396 1.83281 -122.62500 419.89736
|
|
975.0000 -125.05883 -122.15259 2.90624 1.87574 -122.04225 443.84607
|
|
980.0000 -125.51108 -122.17718 3.33390 1.87281 -122.08204 456.31225
|
|
985.0000 -124.87054 -122.28519 2.58535 1.89257 -121.81386 464.93510
|
|
990.0000 -124.48314 -121.61431 2.86883 1.88462 -121.92176 446.26306
|
|
995.0000 -125.02885 -121.79932 3.22952 1.89977 -121.71613 460.41059
|
|
1000.0000 -124.93722 -122.85894 2.07827 1.85156 -122.37050 423.65929
|
|
MELTING PROCESS: loop number 5 T-loop= 449.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 449.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.31825 1.97649 0.91704
|
|
force_rgl> df(natom) -0.91710 -0.56546 1.33062
|
|
1005.0000 -124.79867 -121.93475 2.86392 1.85536 -122.31886 423.62971
|
|
1010.0000 -125.06072 -122.33387 2.72685 1.87129 -122.10270 443.24737
|
|
1015.0000 -124.91683 -122.37875 2.53808 1.87081 -122.10914 441.58286
|
|
1020.0000 -125.05014 -121.93729 3.11285 1.86587 -122.17620 437.36731
|
|
1025.0000 -124.49962 -121.84241 2.65721 1.87618 -122.03633 445.03540
|
|
1030.0000 -125.30066 -122.70531 2.59535 1.86190 -122.23009 440.96977
|
|
1035.0000 -125.59753 -122.62715 2.97038 1.83541 -122.58962 414.20501
|
|
1040.0000 -125.48971 -122.05450 3.43521 1.87680 -122.02790 456.65983
|
|
1045.0000 -124.99244 -122.09249 2.89995 1.89699 -121.75389 477.72757
|
|
1050.0000 -125.00347 -122.04963 2.95385 1.86724 -122.15772 429.85457
|
|
1055.0000 -124.80445 -121.67684 3.12760 1.90414 -121.65688 470.91978
|
|
1060.0000 -125.34715 -123.03633 2.31082 1.87249 -122.08647 444.67536
|
|
1065.0000 -125.35834 -122.81154 2.54681 1.76009 -123.61186 346.05704
|
|
1070.0000 -125.69812 -123.07005 2.62807 1.81815 -122.82388 412.85148
|
|
1075.0000 -125.11023 -122.14383 2.96641 1.84107 -122.51288 432.64720
|
|
1080.0000 -124.71523 -121.88230 2.83294 1.85813 -122.28132 436.20258
|
|
1085.0000 -124.74684 -121.80174 2.94511 1.90788 -121.60607 488.62510
|
|
1090.0000 -124.90772 -122.45318 2.45454 1.89659 -121.75926 464.69906
|
|
1095.0000 -125.26317 -122.82895 2.43422 1.82482 -122.73334 412.20842
|
|
1100.0000 -125.44090 -123.05865 2.38225 1.81742 -122.83378 406.74720
|
|
1105.0000 -125.49987 -122.24164 3.25823 1.82000 -122.79883 411.58004
|
|
1110.0000 -124.61277 -122.16476 2.44802 1.84117 -122.51143 413.53708
|
|
1115.0000 -124.63629 -121.99206 2.64423 1.89477 -121.78398 473.65867
|
|
1120.0000 -124.70866 -121.44100 3.26766 1.89902 -121.72636 472.97153
|
|
1125.0000 -124.12180 -120.98130 3.14049 1.93763 -121.20226 509.84071
|
|
1130.0000 -124.32098 -121.05716 3.26382 1.95788 -120.92752 533.49287
|
|
1135.0000 -125.45913 -122.68850 2.77063 1.90555 -121.63777 479.44460
|
|
1140.0000 -125.15678 -122.94761 2.20917 1.81946 -122.80616 406.39273
|
|
1145.0000 -124.93232 -121.32492 3.60740 1.85369 -122.34154 431.89328
|
|
1150.0000 -125.08622 -121.94949 3.13673 1.89652 -121.76027 458.74653
|
|
1155.0000 -125.73018 -122.51311 3.21707 1.83508 -122.59420 419.22903
|
|
1160.0000 -125.30711 -122.11842 3.18869 1.86810 -122.14597 460.80077
|
|
1165.0000 -124.99448 -122.57011 2.42438 1.85887 -122.27132 433.20764
|
|
1170.0000 -124.85704 -121.11504 3.74200 1.89049 -121.84207 467.79534
|
|
1175.0000 -123.74132 -121.16604 2.57527 1.95384 -120.98227 527.15340
|
|
1180.0000 -124.15601 -121.58264 2.57336 1.94436 -121.11098 523.27056
|
|
1185.0000 -124.73544 -122.51409 2.22135 1.88940 -121.85695 439.51142
|
|
1190.0000 -125.35878 -122.34892 3.00986 1.83334 -122.61774 403.60272
|
|
1195.0000 -124.75492 -122.03540 2.71952 1.86971 -122.12416 460.63920
|
|
1200.0000 -124.82576 -121.97841 2.84735 1.86829 -122.14340 451.17785
|
|
1205.0000 -125.29615 -122.95034 2.34580 1.83736 -122.56325 423.73367
|
|
1210.0000 -124.66606 -122.10844 2.55762 1.81785 -122.82796 396.81139
|
|
1215.0000 -124.93282 -122.25878 2.67405 1.83340 -122.61694 426.15452
|
|
1220.0000 -124.66563 -122.15538 2.51025 1.84107 -122.51278 422.38295
|
|
1225.0000 -125.53916 -123.12820 2.41096 1.82825 -122.68682 419.06111
|
|
1230.0000 -125.09748 -121.92998 3.16750 1.85287 -122.35272 436.22602
|
|
1235.0000 -124.73179 -121.67743 3.05436 1.85626 -122.30665 445.32825
|
|
1240.0000 -125.11948 -121.62600 3.49348 1.89945 -121.72044 473.07774
|
|
1245.0000 -125.35313 -122.52226 2.83087 1.88993 -121.84976 453.22506
|
|
1250.0000 -124.93421 -121.67260 3.26162 1.88758 -121.88164 464.67863
|
|
MELTING PROCESS: loop number 6 T-loop= 474.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 474.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.00224 -0.03565 0.93008
|
|
force_rgl> df(natom) -1.33192 -2.48804 -0.83020
|
|
1255.0000 -124.72568 -122.22921 2.49647 1.87063 -122.11168 451.00237
|
|
1260.0000 -124.52218 -121.83459 2.68759 1.88009 -121.98331 458.03050
|
|
1265.0000 -124.65760 -122.43862 2.21898 1.86251 -122.22190 437.63234
|
|
1270.0000 -125.57407 -122.87721 2.69686 1.83503 -122.59486 417.84224
|
|
1275.0000 -124.62080 -121.97315 2.64764 1.82465 -122.73572 413.63531
|
|
1280.0000 -124.29525 -121.71524 2.58001 1.90216 -121.68374 475.62067
|
|
1285.0000 -124.47629 -121.35233 3.12396 1.89569 -121.77156 475.98763
|
|
1290.0000 -124.60130 -120.95762 3.64369 1.93292 -121.26622 514.01372
|
|
1295.0000 -124.62965 -121.44531 3.18434 1.98622 -120.54280 563.24583
|
|
1300.0000 -124.78014 -121.17625 3.60389 1.92085 -121.42999 486.69316
|
|
1305.0000 -124.84811 -121.79834 3.04977 1.91878 -121.45818 506.98716
|
|
1310.0000 -124.92140 -121.89391 3.02749 1.85798 -122.28328 432.54420
|
|
1315.0000 -124.81443 -121.97679 2.83764 1.88780 -121.87860 464.10936
|
|
1320.0000 -124.01626 -120.98877 3.02749 1.93464 -121.24283 487.79478
|
|
1325.0000 -124.00880 -120.89456 3.11424 1.93083 -121.29459 495.76742
|
|
1330.0000 -124.81809 -121.70265 3.11544 1.92006 -121.44071 490.98823
|
|
1335.0000 -124.86215 -121.22841 3.63374 1.92474 -121.37725 485.44911
|
|
1340.0000 -124.55409 -121.22587 3.32822 1.90722 -121.61498 471.42980
|
|
1345.0000 -124.73959 -121.57539 3.16421 1.93324 -121.26185 511.64305
|
|
1350.0000 -124.50053 -121.78858 2.71195 1.90496 -121.64576 464.77573
|
|
1355.0000 -123.65095 -120.65350 2.99746 1.97837 -120.64933 497.16133
|
|
1360.0000 -123.26519 -119.76918 3.49601 2.00025 -120.35242 530.03710
|
|
1365.0000 -123.43948 -120.30587 3.13361 2.02162 -120.06237 519.33001
|
|
1370.0000 -123.72897 -120.55379 3.17518 1.96831 -120.78595 453.70602
|
|
1375.0000 -124.32204 -120.57733 3.74470 2.00246 -120.32243 492.07029
|
|
1380.0000 -123.68147 -120.67157 3.00990 1.97188 -120.73746 450.75608
|
|
1385.0000 -124.16637 -120.72136 3.44501 1.98469 -120.56365 472.99669
|
|
1390.0000 -123.73506 -121.36731 2.36776 1.95175 -121.01061 439.27576
|
|
1395.0000 -123.73936 -120.48151 3.25784 1.96342 -120.85230 458.57074
|
|
1400.0000 -124.00029 -120.46112 3.53918 2.00025 -120.35244 512.87638
|
|
1405.0000 -124.14795 -121.06118 3.08677 1.96362 -120.84952 479.83424
|
|
1410.0000 -123.62348 -120.23620 3.38728 1.95209 -121.00604 457.87514
|
|
1415.0000 -124.27687 -120.99725 3.27962 1.96410 -120.84306 495.88653
|
|
1420.0000 -124.09281 -120.26835 3.82446 1.98623 -120.54272 502.85452
|
|
1425.0000 -124.92577 -120.94852 3.97725 1.98147 -120.60736 528.27261
|
|
1430.0000 -123.83489 -120.75015 3.08473 1.94920 -121.04532 498.70235
|
|
1435.0000 -124.70917 -121.40129 3.30788 1.95893 -120.91317 517.91876
|
|
1440.0000 -124.18974 -121.55994 2.62979 1.89741 -121.74824 457.11977
|
|
1445.0000 -124.42680 -121.22975 3.19705 1.91695 -121.48298 485.64558
|
|
1450.0000 -124.65011 -121.27273 3.37738 1.93390 -121.25288 513.23074
|
|
1455.0000 -124.29240 -121.32962 2.96279 1.93900 -121.18366 495.33704
|
|
1460.0000 -124.69486 -122.15875 2.53611 1.90280 -121.67499 478.41497
|
|
1465.0000 -125.07242 -121.83299 3.23943 1.89068 -121.83955 464.30375
|
|
1470.0000 -124.74537 -121.77337 2.97200 1.87841 -122.00608 454.14662
|
|
1475.0000 -124.89617 -121.69434 3.20183 1.89076 -121.83844 464.76799
|
|
1480.0000 -125.66723 -122.49560 3.17162 1.84579 -122.44883 432.05946
|
|
1485.0000 -124.90854 -122.06607 2.84247 1.86242 -122.22314 438.58535
|
|
1490.0000 -124.99195 -121.98676 3.00518 1.90091 -121.70067 479.67279
|
|
1495.0000 -125.07808 -122.01520 3.06288 1.89848 -121.73367 476.31634
|
|
1500.0000 -124.50815 -121.77662 2.73153 1.87891 -121.99928 451.35389
|
|
MELTING PROCESS: loop number 7 T-loop= 499.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 499.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.54194 0.91377 -3.46831
|
|
force_rgl> df(natom) 3.41490 0.08841 0.61165
|
|
1505.0000 -124.76424 -121.11184 3.65240 1.91026 -121.57374 491.72997
|
|
1510.0000 -124.69489 -121.47453 3.22036 1.95690 -120.94076 516.19778
|
|
1515.0000 -124.23448 -121.12690 3.10759 1.90627 -121.62787 488.60409
|
|
1520.0000 -124.42603 -120.74187 3.68416 1.96317 -120.85569 531.23301
|
|
1525.0000 -124.60467 -121.10922 3.49545 1.93852 -121.19024 501.69711
|
|
1530.0000 -124.56234 -121.48996 3.07238 1.89990 -121.71434 461.26271
|
|
1535.0000 -123.92124 -120.02710 3.89413 1.96429 -120.84046 505.37286
|
|
1540.0000 -124.36522 -121.37165 2.99357 1.96935 -120.77183 509.00751
|
|
1545.0000 -124.32344 -121.41906 2.90438 1.91220 -121.54741 462.65532
|
|
1550.0000 -123.81597 -120.56355 3.25243 1.91166 -121.55472 441.27666
|
|
1555.0000 -124.46736 -121.36899 3.09836 1.91584 -121.49806 461.43692
|
|
1560.0000 -124.36606 -121.08280 3.28325 1.93917 -121.18138 493.87324
|
|
1565.0000 -124.07288 -120.78468 3.28821 1.95645 -120.94692 518.59907
|
|
1570.0000 -124.78269 -121.51117 3.27152 1.95038 -121.02931 504.85328
|
|
1575.0000 -124.66950 -121.84832 2.82118 1.89992 -121.71412 440.00815
|
|
1580.0000 -125.21892 -122.51796 2.70096 1.86863 -122.13879 411.10105
|
|
1585.0000 -124.97506 -121.74483 3.23023 1.85000 -122.39160 391.39888
|
|
1590.0000 -124.97094 -121.92878 3.04216 1.89371 -121.79833 444.26032
|
|
1595.0000 -124.28401 -121.45369 2.83032 1.89891 -121.72781 426.36437
|
|
1600.0000 -124.57514 -121.62892 2.94623 1.91824 -121.46547 460.77049
|
|
1605.0000 -124.75234 -121.41983 3.33251 1.93487 -121.23982 500.49183
|
|
1610.0000 -124.69739 -121.23259 3.46480 1.95197 -121.00763 521.79350
|
|
1615.0000 -124.19691 -121.42937 2.76754 1.91277 -121.53970 486.79667
|
|
1620.0000 -123.64152 -120.28100 3.36052 1.97296 -120.72284 515.95630
|
|
1625.0000 -124.15584 -120.69530 3.46054 2.02530 -120.01243 575.21081
|
|
1630.0000 -123.80519 -121.12221 2.68298 1.97880 -120.64350 545.80528
|
|
1635.0000 -124.62904 -121.68785 2.94118 1.91905 -121.45446 483.98576
|
|
1640.0000 -124.57462 -121.99352 2.58110 1.89452 -121.78744 458.45760
|
|
1645.0000 -125.02717 -121.93063 3.09654 1.89380 -121.79719 469.45674
|
|
1650.0000 -124.89851 -121.42748 3.47103 1.89504 -121.78034 468.64367
|
|
1655.0000 -124.55948 -121.82444 2.73504 1.89990 -121.71444 467.46125
|
|
1660.0000 -125.16481 -122.26447 2.90034 1.88363 -121.93525 457.96936
|
|
1665.0000 -124.42842 -121.19457 3.23385 1.89334 -121.80347 467.60397
|
|
1670.0000 -125.12902 -122.15750 2.97153 1.91493 -121.51044 479.30104
|
|
1675.0000 -124.94049 -121.98151 2.95898 1.87245 -122.08694 450.52775
|
|
1680.0000 -125.32163 -122.36738 2.95425 1.86601 -122.17441 439.02541
|
|
1685.0000 -125.08722 -121.13716 3.95006 1.92151 -121.42111 492.97464
|
|
1690.0000 -123.61609 -120.73722 2.87887 1.97257 -120.72807 539.05475
|
|
1695.0000 -124.27633 -121.41846 2.85787 1.99140 -120.47259 539.66650
|
|
1700.0000 -124.37411 -121.01120 3.36291 1.92823 -121.32993 490.39347
|
|
1705.0000 -124.90972 -121.66474 3.24498 1.92277 -121.40399 486.89575
|
|
1710.0000 -124.44031 -121.66776 2.77255 1.90416 -121.65660 470.65523
|
|
1715.0000 -124.88051 -121.19884 3.68167 1.92815 -121.33093 490.94465
|
|
1720.0000 -124.59895 -121.30987 3.28908 1.91184 -121.55229 482.15943
|
|
1725.0000 -123.52739 -120.84475 2.68264 1.96268 -120.86236 542.54243
|
|
1730.0000 -123.91516 -120.97891 2.93625 1.93239 -121.27350 497.74822
|
|
1735.0000 -124.10801 -120.36012 3.74789 1.96716 -120.80155 524.91973
|
|
1740.0000 -123.74748 -120.58078 3.16670 1.99914 -120.36746 561.69621
|
|
1745.0000 -123.35183 -120.07041 3.28142 1.98712 -120.53059 555.63805
|
|
1750.0000 -123.94790 -120.11559 3.83232 2.01914 -120.09602 559.54596
|
|
MELTING PROCESS: loop number 8 T-loop= 524.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 524.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.15924 -0.60790 1.45767
|
|
force_rgl> df(natom) 0.98563 -0.94587 0.22285
|
|
1755.0000 -123.30355 -120.09324 3.21032 2.04286 -119.77417 563.60477
|
|
1760.0000 -123.05791 -120.27711 2.78080 2.00101 -120.34210 515.73650
|
|
1765.0000 -123.98525 -120.86341 3.12184 1.99295 -120.45145 506.13313
|
|
1770.0000 -123.75116 -120.33303 3.41813 1.99263 -120.45578 517.16164
|
|
1775.0000 -123.14905 -119.65010 3.49895 2.00541 -120.28240 500.80135
|
|
1780.0000 -123.91000 -120.48443 3.42556 2.04123 -119.79624 537.89453
|
|
1785.0000 -123.65182 -120.17872 3.47310 1.99440 -120.43182 466.75582
|
|
1790.0000 -122.84113 -118.86166 3.97948 2.04067 -119.80385 506.64816
|
|
1795.0000 -122.94761 -118.87778 4.06983 2.09584 -119.05512 562.70951
|
|
1800.0000 -123.44899 -119.31636 4.13262 2.10610 -118.91577 613.66373
|
|
1805.0000 -123.30409 -120.41107 2.89303 2.02498 -120.01676 522.98824
|
|
1810.0000 -124.13397 -120.09565 4.03832 2.00510 -120.28659 489.33062
|
|
1815.0000 -123.74955 -120.18443 3.56512 2.01343 -120.17348 541.77779
|
|
1820.0000 -123.88385 -120.79494 3.08891 1.96759 -120.79568 512.22553
|
|
1825.0000 -123.17306 -120.21570 2.95736 1.99298 -120.45107 519.44996
|
|
1830.0000 -122.27197 -118.97513 3.29685 2.06118 -119.52553 551.70237
|
|
1835.0000 -122.52080 -119.09896 3.42184 2.10651 -118.91030 545.40434
|
|
1840.0000 -123.01083 -119.48696 3.52387 2.09199 -119.10733 582.88736
|
|
1845.0000 -123.85378 -120.43806 3.41573 2.02424 -120.02688 532.79375
|
|
1850.0000 -123.72412 -120.94704 2.77708 1.95661 -120.94471 456.97530
|
|
1855.0000 -123.87729 -121.54669 2.33061 1.96292 -120.85912 482.45946
|
|
1860.0000 -123.63745 -121.06497 2.57248 1.95060 -121.02632 466.16156
|
|
1865.0000 -123.92518 -120.76448 3.16070 1.96057 -120.89098 479.36044
|
|
1870.0000 -124.53063 -121.61281 2.91781 1.96634 -120.81261 479.46893
|
|
1875.0000 -124.12502 -121.31210 2.81292 1.94089 -121.15814 477.45025
|
|
1880.0000 -123.21740 -119.54861 3.66879 1.97356 -120.71464 503.70550
|
|
1885.0000 -123.65010 -120.42133 3.22877 2.03801 -119.83999 553.31234
|
|
1890.0000 -123.53494 -119.96583 3.56911 1.99748 -120.39004 517.73268
|
|
1895.0000 -124.27322 -119.73749 4.53573 2.01397 -120.16624 550.88231
|
|
1900.0000 -123.75869 -120.08171 3.67698 2.00196 -120.32920 539.83360
|
|
1905.0000 -124.72323 -120.97507 3.74816 1.99207 -120.46342 526.14682
|
|
1910.0000 -123.98922 -120.47130 3.51792 1.97667 -120.67242 509.13744
|
|
1915.0000 -124.06699 -120.69605 3.37093 1.98405 -120.57231 510.95215
|
|
1920.0000 -124.23749 -121.26192 2.97557 1.98418 -120.57050 522.36718
|
|
1925.0000 -124.29947 -121.13459 3.16488 1.94245 -121.13689 478.00873
|
|
1930.0000 -124.39094 -121.43299 2.95795 1.93721 -121.20805 475.87951
|
|
1935.0000 -124.08294 -120.44111 3.64184 1.97197 -120.73620 492.42941
|
|
1940.0000 -123.34061 -120.00052 3.34008 2.01940 -120.09255 522.64992
|
|
1945.0000 -123.64920 -120.59909 3.05012 2.01418 -120.16331 514.26905
|
|
1950.0000 -123.17803 -120.40666 2.77137 1.97946 -120.63458 492.93321
|
|
1955.0000 -124.09202 -120.95197 3.14005 1.98501 -120.55934 504.02712
|
|
1960.0000 -124.41043 -120.75043 3.66000 1.92803 -121.33262 453.83812
|
|
1965.0000 -124.16674 -121.07387 3.09287 1.96080 -120.88784 490.13660
|
|
1970.0000 -123.77763 -120.68669 3.09094 1.99549 -120.41697 502.68814
|
|
1975.0000 -124.22409 -121.03424 3.18985 1.95062 -121.02603 466.66858
|
|
1980.0000 -123.63284 -120.63328 2.99956 1.95308 -120.99257 481.03663
|
|
1985.0000 -123.23339 -119.93044 3.30295 2.01814 -120.10962 526.56775
|
|
1990.0000 -123.18436 -119.61666 3.56770 2.02838 -119.97068 527.18518
|
|
1995.0000 -123.57539 -120.17186 3.40353 2.03598 -119.86744 565.70346
|
|
2000.0000 -124.18261 -120.07592 4.10669 2.00488 -120.28954 524.07330
|
|
MELTING PROCESS: loop number 9 T-loop= 549.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 549.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.04691 -0.28784 0.60256
|
|
force_rgl> df(natom) 0.24096 -0.09235 0.52844
|
|
2005.0000 -124.10442 -119.90344 4.20099 2.02207 -120.05632 538.34335
|
|
2010.0000 -124.34057 -120.70136 3.63921 2.00394 -120.30238 537.61580
|
|
2015.0000 -123.33296 -119.68093 3.65203 1.99682 -120.39904 518.82485
|
|
2020.0000 -123.70522 -120.45340 3.25182 2.03046 -119.94247 537.02483
|
|
2025.0000 -123.75946 -120.88506 2.87440 1.98182 -120.60251 477.01605
|
|
2030.0000 -123.99803 -120.66341 3.33461 1.98508 -120.55833 509.61290
|
|
2035.0000 -123.44646 -120.19577 3.25069 2.00558 -120.28015 525.89752
|
|
2040.0000 -122.69761 -119.68431 3.01330 2.02425 -120.02673 522.49256
|
|
2045.0000 -122.24781 -119.29535 2.95246 2.07180 -119.38136 570.77033
|
|
2050.0000 -123.76980 -120.44403 3.32577 2.04745 -119.71185 541.27932
|
|
2055.0000 -123.11862 -120.30654 2.81207 1.99704 -120.39602 515.82608
|
|
2060.0000 -123.39843 -119.63829 3.76013 2.05129 -119.65969 568.70991
|
|
2065.0000 -123.49115 -119.54960 3.94155 2.07361 -119.35673 586.51924
|
|
2070.0000 -123.28842 -119.72246 3.56596 2.06830 -119.42880 580.53475
|
|
2075.0000 -123.43466 -120.69099 2.74367 1.99941 -120.36383 495.89805
|
|
2080.0000 -123.40402 -120.82681 2.57721 1.97296 -120.72278 493.46707
|
|
2085.0000 -122.96017 -120.01299 2.94718 1.98796 -120.51919 482.93268
|
|
2090.0000 -123.62861 -120.36221 3.26640 2.01356 -120.17182 509.56094
|
|
2095.0000 -122.82264 -119.52561 3.29703 2.01437 -120.16077 502.87680
|
|
2100.0000 -123.49739 -119.90496 3.59243 1.99835 -120.37820 493.62555
|
|
2105.0000 -123.07710 -119.74423 3.33287 2.02345 -120.03751 512.76779
|
|
2110.0000 -123.41202 -119.73827 3.67375 2.05905 -119.55441 542.67747
|
|
2115.0000 -123.51246 -120.32029 3.19217 2.02733 -119.98487 516.58624
|
|
2120.0000 -122.95380 -119.44701 3.50680 2.06039 -119.53627 556.87540
|
|
2125.0000 -123.33449 -120.12223 3.21227 2.04970 -119.68132 517.22018
|
|
2130.0000 -122.48433 -118.43923 4.04509 2.07967 -119.27449 548.48840
|
|
2135.0000 -123.09528 -119.44251 3.65278 2.10164 -118.97641 581.45342
|
|
2140.0000 -123.78915 -120.70229 3.08686 2.03663 -119.85871 535.38629
|
|
2145.0000 -123.94641 -119.74512 4.20129 1.99725 -120.39318 513.54167
|
|
2150.0000 -124.02087 -120.80956 3.21131 1.98236 -120.59523 501.14806
|
|
2155.0000 -123.77970 -120.40752 3.37218 2.01117 -120.20418 522.06672
|
|
2160.0000 -123.15712 -119.97820 3.17892 2.06013 -119.53968 549.82595
|
|
2165.0000 -123.36207 -120.27801 3.08406 2.01791 -120.11268 505.23488
|
|
2170.0000 -123.61330 -119.97679 3.63650 2.01692 -120.12613 500.13403
|
|
2175.0000 -123.25106 -120.06780 3.18326 2.02732 -119.98503 516.23364
|
|
2180.0000 -123.89621 -121.01621 2.88000 2.00673 -120.26450 491.56199
|
|
2185.0000 -124.06455 -121.07416 2.99039 1.96015 -120.89663 471.75495
|
|
2190.0000 -122.97731 -119.97876 2.99854 1.98146 -120.60738 488.04508
|
|
2195.0000 -124.15909 -121.09056 3.06853 1.97965 -120.63195 474.89195
|
|
2200.0000 -123.35937 -119.96425 3.39511 2.01362 -120.17100 533.54969
|
|
2205.0000 -123.37150 -119.71142 3.66009 2.00578 -120.27740 504.23703
|
|
2210.0000 -123.13398 -119.86383 3.27015 2.05703 -119.58182 546.84641
|
|
2215.0000 -123.74556 -120.54375 3.20181 1.98318 -120.58415 496.33747
|
|
2220.0000 -123.18728 -119.81907 3.36821 2.01859 -120.10356 531.97272
|
|
2225.0000 -122.94406 -119.84088 3.10318 1.99883 -120.37169 485.56602
|
|
2230.0000 -123.55261 -119.96501 3.58760 2.01505 -120.15155 527.35198
|
|
2235.0000 -122.81187 -119.60109 3.21078 2.06629 -119.45613 551.34199
|
|
2240.0000 -123.51031 -119.87212 3.63819 2.03576 -119.87049 552.07825
|
|
2245.0000 -123.59280 -120.70632 2.88647 2.02666 -119.99398 516.13234
|
|
2250.0000 -123.40664 -119.58105 3.82559 2.04260 -119.77768 525.59532
|
|
MELTING PROCESS: loop number 10 T-loop= 574.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 574.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.41428 -1.73891 2.57239
|
|
force_rgl> df(natom) -0.43972 -1.60452 0.12282
|
|
2255.0000 -122.00140 -118.82584 3.17557 2.09699 -119.03951 554.06031
|
|
2260.0000 -123.40059 -119.43022 3.97037 2.05252 -119.64304 523.81293
|
|
2265.0000 -122.90871 -118.83883 4.06988 2.06835 -119.42819 569.57657
|
|
2270.0000 -121.75832 -118.05053 3.70779 2.12933 -118.60058 607.91070
|
|
2275.0000 -122.35583 -118.96017 3.39565 2.14190 -118.42999 626.30687
|
|
2280.0000 -123.01951 -118.49086 4.52865 2.09790 -119.02717 604.72012
|
|
2285.0000 -123.89212 -119.93472 3.95740 2.11901 -118.74061 600.90233
|
|
2290.0000 -122.60166 -119.53742 3.06424 2.05159 -119.65562 556.88868
|
|
2295.0000 -123.18713 -119.46007 3.72706 2.06375 -119.49063 540.61568
|
|
2300.0000 -122.43922 -118.89752 3.54170 2.10324 -118.95461 578.47123
|
|
2305.0000 -123.36739 -119.03808 4.32931 2.09559 -119.05844 596.87861
|
|
2310.0000 -123.02083 -118.80150 4.21933 2.08561 -119.19396 576.26915
|
|
2315.0000 -122.91444 -119.33020 3.58424 2.08960 -119.13980 594.29884
|
|
2320.0000 -122.50320 -118.20843 4.29477 2.13805 -118.48219 596.96762
|
|
2325.0000 -122.67101 -118.35227 4.31874 2.17379 -117.99715 640.52300
|
|
2330.0000 -122.81809 -118.68123 4.13685 2.13476 -118.52690 610.87717
|
|
2335.0000 -122.27674 -118.01230 4.26444 2.15078 -118.30944 639.11656
|
|
2340.0000 -123.07759 -118.76425 4.31334 2.16611 -118.10136 659.70326
|
|
2345.0000 -122.06060 -118.22608 3.83452 2.11531 -118.79078 585.04476
|
|
2350.0000 -121.97164 -118.30492 3.66672 2.16454 -118.12267 645.43072
|
|
2355.0000 -121.68961 -117.56668 4.12293 2.13919 -118.46669 594.61999
|
|
2360.0000 -122.38853 -117.78158 4.60696 2.18225 -117.88232 629.09313
|
|
2365.0000 -123.16375 -118.39156 4.77219 2.18393 -117.85957 652.54262
|
|
2370.0000 -122.19068 -117.84522 4.34546 2.14361 -118.40669 627.70975
|
|
2375.0000 -121.92901 -118.19441 3.73460 2.12783 -118.62089 615.73593
|
|
2380.0000 -122.90559 -119.24008 3.66550 2.11207 -118.83477 583.41786
|
|
2385.0000 -123.86796 -120.21186 3.65610 2.06892 -119.42039 555.44426
|
|
2390.0000 -123.11214 -118.41446 4.69768 2.08622 -119.18566 585.20454
|
|
2395.0000 -122.59695 -118.91235 3.68460 2.08238 -119.23776 591.00072
|
|
2400.0000 -123.74205 -119.85794 3.88411 2.03308 -119.90688 523.09481
|
|
2405.0000 -123.29833 -119.65027 3.64806 2.04637 -119.72653 547.97659
|
|
2410.0000 -123.56762 -119.93249 3.63514 2.09739 -119.03405 602.44833
|
|
2415.0000 -123.15967 -120.13681 3.02287 2.03313 -119.90623 516.64072
|
|
2420.0000 -122.12512 -118.55095 3.57417 2.07289 -119.36661 546.72325
|
|
2425.0000 -122.14539 -118.50763 3.63776 2.13481 -118.52615 596.00355
|
|
2430.0000 -122.79575 -118.66314 4.13261 2.12432 -118.66849 634.64891
|
|
2435.0000 -121.29024 -116.41636 4.87388 2.19041 -117.77161 655.48134
|
|
2440.0000 -122.12728 -118.12261 4.00468 2.20632 -117.55558 663.98236
|
|
2445.0000 -122.15187 -118.09636 4.05551 2.11098 -118.84956 588.82696
|
|
2450.0000 -123.03637 -119.96081 3.07557 2.12030 -118.72307 609.60455
|
|
2455.0000 -123.54043 -120.07369 3.46673 2.05704 -119.58163 570.27592
|
|
2460.0000 -123.26197 -119.84290 3.41907 2.06048 -119.53496 565.01869
|
|
2465.0000 -124.16057 -120.50327 3.65729 2.01142 -120.20081 539.35651
|
|
2470.0000 -123.72985 -120.05682 3.67303 2.01085 -120.20862 555.42715
|
|
2475.0000 -124.02053 -120.82117 3.19936 2.00703 -120.26042 528.75650
|
|
2480.0000 -123.42309 -120.24990 3.17319 1.96555 -120.82344 486.97164
|
|
2485.0000 -123.55968 -118.95749 4.60219 2.03678 -119.85663 538.85272
|
|
2490.0000 -121.61434 -117.95616 3.65818 2.13336 -118.54590 590.64087
|
|
2495.0000 -121.86601 -118.13249 3.73352 2.15514 -118.25031 608.02632
|
|
2500.0000 -122.17754 -118.83027 3.34727 2.17288 -118.00945 625.20981
|
|
MELTING PROCESS: loop number 11 T-loop= 599.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 599.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.66664 2.89702 -1.65525
|
|
force_rgl> df(natom) 0.14819 -1.16298 0.03160
|
|
2505.0000 -123.76064 -119.71765 4.04300 2.07018 -119.40335 549.39048
|
|
2510.0000 -123.00021 -119.30248 3.69773 2.07447 -119.34516 559.49692
|
|
2515.0000 -122.58297 -119.01228 3.57069 2.07851 -119.29034 554.06007
|
|
2520.0000 -122.21415 -118.57101 3.64314 2.12084 -118.71577 574.89672
|
|
2525.0000 -122.84584 -118.08392 4.76193 2.16820 -118.07298 650.76294
|
|
2530.0000 -122.58339 -118.02072 4.56267 2.12441 -118.66738 614.74779
|
|
2535.0000 -122.08039 -118.35746 3.72292 2.17500 -117.98069 658.26714
|
|
2540.0000 -122.22277 -118.52863 3.69414 2.13690 -118.49787 607.99707
|
|
2545.0000 -122.88917 -118.36631 4.52286 2.14220 -118.42593 635.91592
|
|
2550.0000 -122.36060 -118.38845 3.97216 2.12845 -118.61254 615.03033
|
|
2555.0000 -122.76425 -119.55279 3.21146 2.09351 -119.08669 570.62490
|
|
2560.0000 -123.05690 -118.26943 4.78747 2.14531 -118.38372 606.61479
|
|
2565.0000 -122.68618 -118.70749 3.97869 2.12486 -118.66115 589.08869
|
|
2570.0000 -122.17876 -118.62923 3.54953 2.12123 -118.71044 594.12778
|
|
2575.0000 -122.69129 -118.80809 3.88319 2.12361 -118.67821 594.25630
|
|
2580.0000 -122.69084 -118.99850 3.69234 2.09310 -119.09232 571.30776
|
|
2585.0000 -122.40566 -118.81875 3.58690 2.11770 -118.75840 601.76196
|
|
2590.0000 -122.01422 -117.18566 4.82855 2.12950 -118.59825 600.72470
|
|
2595.0000 -123.50556 -119.67781 3.82775 2.12830 -118.61452 618.19294
|
|
2600.0000 -123.23888 -118.35703 4.88185 2.11976 -118.73048 613.14367
|
|
2605.0000 -122.62508 -118.89453 3.73055 2.12824 -118.61527 615.96427
|
|
2610.0000 -122.25764 -118.98357 3.27408 2.08914 -119.14605 570.64142
|
|
2615.0000 -123.58742 -120.76573 2.82168 2.02363 -120.03515 521.21546
|
|
2620.0000 -122.36466 -118.53251 3.83215 2.07468 -119.34220 531.09371
|
|
2625.0000 -122.54093 -118.16021 4.38072 2.11930 -118.73670 588.13249
|
|
2630.0000 -123.09651 -119.19091 3.90561 2.10708 -118.90254 570.26995
|
|
2635.0000 -122.87111 -118.44515 4.42596 2.13405 -118.53650 621.09790
|
|
2640.0000 -120.75592 -116.94704 3.80888 2.20263 -117.60575 668.58105
|
|
2645.0000 -122.95771 -119.05466 3.90305 2.17810 -117.93857 623.17172
|
|
2650.0000 -123.01914 -119.04803 3.97111 2.12362 -118.67800 591.28578
|
|
2655.0000 -123.30025 -119.74104 3.55921 2.12562 -118.65083 606.43492
|
|
2660.0000 -122.21851 -118.75745 3.46106 2.07026 -119.40230 557.15818
|
|
2665.0000 -122.52968 -118.11779 4.41189 2.15970 -118.18830 633.93985
|
|
2670.0000 -121.23882 -117.46979 3.76903 2.15859 -118.20345 635.64384
|
|
2675.0000 -122.38428 -119.08522 3.29906 2.16988 -118.05015 635.61788
|
|
2680.0000 -123.18693 -118.36696 4.81998 2.12457 -118.66512 580.00563
|
|
2685.0000 -123.32308 -118.09333 5.22975 2.15956 -118.19021 617.28368
|
|
2690.0000 -122.62181 -119.24274 3.37907 2.12225 -118.69662 583.58886
|
|
2695.0000 -123.60159 -120.26924 3.33235 2.06807 -119.43191 519.73173
|
|
2700.0000 -122.17762 -118.39824 3.77938 2.08432 -119.21142 576.21441
|
|
2705.0000 -121.57534 -117.71026 3.86508 2.12043 -118.72130 613.59688
|
|
2710.0000 -121.93992 -118.41337 3.52655 2.18876 -117.79398 655.05410
|
|
2715.0000 -122.83273 -118.20599 4.62674 2.12319 -118.68382 596.50367
|
|
2720.0000 -122.00014 -118.15751 3.84263 2.13460 -118.52901 645.94148
|
|
2725.0000 -122.51053 -119.08548 3.42506 2.13666 -118.50102 619.30007
|
|
2730.0000 -123.25929 -119.47824 3.78105 2.06823 -119.42977 569.45780
|
|
2735.0000 -122.90540 -119.13317 3.77223 2.06088 -119.52955 561.15329
|
|
2740.0000 -122.17945 -118.71106 3.46840 2.10352 -118.95090 600.84556
|
|
2745.0000 -124.08780 -120.12135 3.96645 2.08191 -119.24411 564.59417
|
|
2750.0000 -122.71448 -118.63632 4.07816 2.06267 -119.50528 581.93414
|
|
MELTING PROCESS: loop number 12 T-loop= 624.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 624.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.70274 2.06305 -0.44726
|
|
force_rgl> df(natom) -1.74743 1.11469 -4.06831
|
|
2755.0000 -123.40267 -118.90320 4.49947 2.12946 -118.59884 599.99751
|
|
2760.0000 -123.06677 -119.82892 3.23784 2.08097 -119.25687 577.27879
|
|
2765.0000 -123.97122 -120.28423 3.68699 2.01576 -120.14197 531.73673
|
|
2770.0000 -122.49791 -118.53624 3.96167 2.06244 -119.50844 574.39813
|
|
2775.0000 -122.58951 -118.02876 4.56076 2.13366 -118.54181 638.51423
|
|
2780.0000 -122.99344 -119.57146 3.42199 2.14715 -118.35866 614.41619
|
|
2785.0000 -122.28081 -118.70960 3.57121 2.15032 -118.31566 611.57622
|
|
2790.0000 -123.56916 -120.12106 3.44809 2.04561 -119.73683 520.57957
|
|
2795.0000 -122.25337 -118.49170 3.76167 2.08214 -119.24096 564.03087
|
|
2800.0000 -121.72477 -117.49363 4.23114 2.19565 -117.70046 625.74953
|
|
2805.0000 -121.51579 -116.43499 5.08080 2.24716 -117.00134 671.51586
|
|
2810.0000 -121.29083 -117.60980 3.68103 2.25212 -116.93401 647.72958
|
|
2815.0000 -122.33229 -117.42817 4.90412 2.20688 -117.54809 651.93847
|
|
2820.0000 -121.69022 -116.67746 5.01276 2.22705 -117.27422 693.59664
|
|
2825.0000 -122.41128 -118.53903 3.87225 2.16592 -118.10395 637.81640
|
|
2830.0000 -122.94245 -118.62006 4.32238 2.12580 -118.64851 610.73732
|
|
2835.0000 -122.61817 -118.55638 4.06179 2.14773 -118.35076 637.90378
|
|
2840.0000 -122.37192 -118.63039 3.74153 2.14865 -118.33828 621.83927
|
|
2845.0000 -122.39915 -119.20737 3.19178 2.14124 -118.43889 585.62542
|
|
2850.0000 -122.42281 -119.17437 3.24844 2.08724 -119.17180 567.45260
|
|
2855.0000 -123.03914 -118.36326 4.67588 2.13813 -118.48105 621.77942
|
|
2860.0000 -122.78754 -118.28253 4.50501 2.15829 -118.20752 652.47759
|
|
2865.0000 -122.63745 -119.31821 3.31924 2.12508 -118.65817 643.65851
|
|
2870.0000 -123.36767 -119.19810 4.16956 2.11873 -118.74441 638.51242
|
|
2875.0000 -123.31113 -119.77507 3.53606 2.07036 -119.40087 571.72220
|
|
2880.0000 -123.26965 -119.15302 4.11663 2.05650 -119.58898 562.29795
|
|
2885.0000 -123.34098 -118.73126 4.60972 2.10033 -118.99418 593.09285
|
|
2890.0000 -122.87867 -118.65261 4.22605 2.14993 -118.32102 621.01677
|
|
2895.0000 -121.79362 -118.24323 3.55040 2.16149 -118.16413 649.02818
|
|
2900.0000 -123.08955 -119.42565 3.66390 2.10888 -118.87811 578.42356
|
|
2905.0000 -123.22565 -119.28110 3.94455 2.08943 -119.14209 595.06464
|
|
2910.0000 -123.10001 -119.34863 3.75138 2.09499 -119.06665 608.85986
|
|
2915.0000 -122.26224 -118.66081 3.60143 2.11439 -118.80334 606.04150
|
|
2920.0000 -123.15891 -119.44949 3.70942 2.12316 -118.68434 600.05578
|
|
2925.0000 -123.28781 -119.17233 4.11547 2.08857 -119.15380 566.41759
|
|
2930.0000 -123.00781 -118.24205 4.76576 2.14763 -118.35216 616.86972
|
|
2935.0000 -120.81568 -116.69495 4.12073 2.21665 -117.41538 676.44351
|
|
2940.0000 -122.09401 -118.06611 4.02790 2.20183 -117.61663 677.14090
|
|
2945.0000 -121.19106 -117.14282 4.04823 2.23185 -117.20910 702.36977
|
|
2950.0000 -122.06399 -117.89315 4.17084 2.20999 -117.50582 691.53374
|
|
2955.0000 -122.26184 -118.08534 4.17650 2.15437 -118.26075 615.12648
|
|
2960.0000 -121.44588 -117.83409 3.61178 2.19833 -117.66405 673.67844
|
|
2965.0000 -122.85270 -117.45201 5.40069 2.20380 -117.58982 670.92197
|
|
2970.0000 -122.00001 -118.33305 3.66696 2.19705 -117.68143 650.80368
|
|
2975.0000 -121.92492 -117.66688 4.25803 2.14973 -118.32374 626.47255
|
|
2980.0000 -121.34984 -117.42853 3.92131 2.17517 -117.97837 645.82136
|
|
2985.0000 -121.55612 -118.02593 3.53019 2.25260 -116.92749 657.60179
|
|
2990.0000 -120.42012 -116.27479 4.14533 2.23259 -117.19916 660.63430
|
|
2995.0000 -120.38085 -116.23626 4.14460 2.30982 -116.15098 755.94282
|
|
3000.0000 -121.13630 -117.06527 4.07104 2.28285 -116.51691 693.61002
|
|
MELTING PROCESS: loop number 13 T-loop= 649.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 649.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.13170 0.49592 3.13582
|
|
force_rgl> df(natom) 1.74818 0.95655 -3.18212
|
|
3005.0000 -120.86680 -115.55627 5.31054 2.28025 -116.55227 722.61792
|
|
3010.0000 -121.92706 -117.83422 4.09284 2.29315 -116.37719 737.90155
|
|
3015.0000 -122.47541 -117.92992 4.54549 2.17033 -118.04403 629.81903
|
|
3020.0000 -121.85859 -117.78284 4.07575 2.20468 -117.57789 643.70682
|
|
3025.0000 -122.82552 -118.42378 4.40174 2.16745 -118.08319 643.69925
|
|
3030.0000 -121.61536 -117.09194 4.52341 2.20484 -117.57568 645.97233
|
|
3035.0000 -121.83746 -117.97345 3.86401 2.20449 -117.58043 642.77355
|
|
3040.0000 -122.46046 -118.43894 4.02152 2.17208 -118.02029 645.41780
|
|
3045.0000 -121.56097 -117.68215 3.87881 2.16517 -118.11410 602.43697
|
|
3050.0000 -121.90647 -116.90698 4.99949 2.24457 -117.03655 701.08435
|
|
3055.0000 -122.25471 -118.40908 3.84564 2.20013 -117.63965 663.81173
|
|
3060.0000 -122.23386 -118.76813 3.46573 2.14791 -118.34831 604.43350
|
|
3065.0000 -122.43560 -118.07132 4.36428 2.14137 -118.43718 617.93168
|
|
3070.0000 -122.18578 -117.69282 4.49297 2.21411 -117.44992 637.12887
|
|
3075.0000 -121.73499 -117.15633 4.57866 2.26957 -116.69726 706.74881
|
|
3080.0000 -122.46420 -119.11597 3.34824 2.15720 -118.22230 629.30781
|
|
3085.0000 -121.96082 -118.24412 3.71670 2.13173 -118.56792 610.45828
|
|
3090.0000 -121.34778 -116.47300 4.87478 2.20409 -117.58588 667.79027
|
|
3095.0000 -121.44932 -116.44358 5.00574 2.28953 -116.42628 712.13705
|
|
3100.0000 -121.15941 -117.03516 4.12425 2.26603 -116.74523 689.02494
|
|
3105.0000 -121.05460 -116.91579 4.13881 2.27742 -116.59066 700.79217
|
|
3110.0000 -121.42019 -117.40383 4.01636 2.22236 -117.33796 664.65295
|
|
3115.0000 -122.07358 -117.87921 4.19437 2.22737 -117.26999 680.01686
|
|
3120.0000 -121.38112 -117.25411 4.12701 2.23476 -117.16958 670.45333
|
|
3125.0000 -121.29251 -117.49863 3.79387 2.29118 -116.40392 699.53031
|
|
3130.0000 -123.40791 -119.67046 3.73744 2.13728 -118.49261 609.14535
|
|
3135.0000 -122.96883 -119.04920 3.91963 2.06502 -119.47332 564.50176
|
|
3140.0000 -121.84168 -117.39564 4.44604 2.14465 -118.39257 613.08616
|
|
3145.0000 -121.61219 -117.39198 4.22020 2.20802 -117.53256 676.07978
|
|
3150.0000 -121.67304 -116.92700 4.74604 2.23112 -117.21906 711.73223
|
|
3155.0000 -121.39440 -117.27104 4.12336 2.25652 -116.87435 699.48878
|
|
3160.0000 -123.18848 -119.34921 3.83926 2.12967 -118.59596 602.29560
|
|
3165.0000 -121.41517 -117.96571 3.44946 2.15833 -118.20701 627.26374
|
|
3170.0000 -122.57385 -119.06428 3.50957 2.13528 -118.51985 612.08777
|
|
3175.0000 -121.99117 -117.75572 4.23545 2.15220 -118.29014 620.32793
|
|
3180.0000 -120.84243 -116.32128 4.52115 2.22671 -117.27884 676.21553
|
|
3185.0000 -122.64199 -118.12654 4.51545 2.20286 -117.60257 673.52183
|
|
3190.0000 -122.11800 -118.45447 3.66353 2.12014 -118.72529 602.11832
|
|
3195.0000 -122.28506 -117.39076 4.89430 2.16246 -118.15094 608.51921
|
|
3200.0000 -121.18373 -116.58342 4.60032 2.28777 -116.45017 754.17502
|
|
3205.0000 -122.32477 -118.47875 3.84601 2.21175 -117.48198 683.58776
|
|
3210.0000 -121.86423 -118.09737 3.76686 2.15255 -118.28544 608.20722
|
|
3215.0000 -122.26740 -118.02277 4.24463 2.16083 -118.17308 655.11492
|
|
3220.0000 -123.14068 -119.11968 4.02100 2.08558 -119.19431 566.83149
|
|
3225.0000 -122.08641 -117.40342 4.68300 2.15655 -118.23108 616.50113
|
|
3230.0000 -122.26317 -117.92018 4.34300 2.19513 -117.70750 619.69477
|
|
3235.0000 -121.37072 -117.32207 4.04865 2.18819 -117.80169 678.44894
|
|
3240.0000 -120.73673 -115.94760 4.78913 2.28553 -116.48061 723.24930
|
|
3245.0000 -122.43269 -117.77314 4.65956 2.26819 -116.71599 717.34985
|
|
3250.0000 -122.16281 -118.37776 3.78506 2.20575 -117.56341 675.22817
|
|
MELTING PROCESS: loop number 14 T-loop= 674.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 674.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.66382 -0.88771 0.33045
|
|
force_rgl> df(natom) 0.80889 1.19316 -1.65348
|
|
3255.0000 -121.62020 -116.65867 4.96153 2.24507 -117.02966 686.42866
|
|
3260.0000 -121.86588 -117.64443 4.22145 2.20607 -117.55902 681.68497
|
|
3265.0000 -121.89921 -116.95514 4.94407 2.22476 -117.30541 671.17754
|
|
3270.0000 -121.23961 -118.23788 3.00174 2.21792 -117.39813 691.87334
|
|
3275.0000 -122.39958 -118.28999 4.10959 2.16586 -118.10471 629.19758
|
|
3280.0000 -122.21534 -117.80550 4.40984 2.14623 -118.37116 632.49083
|
|
3285.0000 -122.96417 -118.63495 4.32922 2.17356 -118.00026 689.95628
|
|
3290.0000 -123.37064 -118.49640 4.87424 2.16797 -118.07618 693.87727
|
|
3295.0000 -122.74124 -118.03042 4.71081 2.16638 -118.09769 652.11223
|
|
3300.0000 -121.83305 -118.23909 3.59397 2.19141 -117.75794 683.11422
|
|
3305.0000 -121.73519 -117.66832 4.06687 2.16675 -118.09274 650.80955
|
|
3310.0000 -120.92669 -116.03229 4.89441 2.24087 -117.08671 685.32045
|
|
3315.0000 -121.10279 -116.52805 4.57474 2.30687 -116.19097 726.54395
|
|
3320.0000 -121.67679 -117.72007 3.95672 2.23357 -117.18584 684.20429
|
|
3325.0000 -121.32149 -117.14688 4.17460 2.22041 -117.36442 647.80708
|
|
3330.0000 -121.45863 -117.17659 4.28205 2.26260 -116.79173 694.11549
|
|
3335.0000 -122.21248 -118.54995 3.66253 2.22163 -117.34778 678.06406
|
|
3340.0000 -122.27690 -117.99509 4.28181 2.16366 -118.13464 641.95049
|
|
3345.0000 -123.25689 -118.24353 5.01336 2.20718 -117.54396 678.42976
|
|
3350.0000 -121.42515 -117.36368 4.06147 2.19403 -117.72247 662.37089
|
|
3355.0000 -121.68327 -117.10844 4.57483 2.23119 -117.21811 707.72007
|
|
3360.0000 -121.09587 -116.23155 4.86431 2.23316 -117.19132 701.58829
|
|
3365.0000 -120.62115 -116.32917 4.29198 2.28970 -116.42399 696.81395
|
|
3370.0000 -120.01520 -115.14509 4.87011 2.34011 -115.73985 760.72854
|
|
3375.0000 -120.92197 -115.95450 4.96747 2.33441 -115.81712 732.93489
|
|
3380.0000 -122.24215 -117.24111 5.00104 2.29509 -116.35089 697.25651
|
|
3385.0000 -122.21946 -118.72601 3.49346 2.16264 -118.14851 620.26277
|
|
3390.0000 -122.43431 -118.91230 3.52201 2.13509 -118.52242 591.76778
|
|
3395.0000 -121.22389 -118.03601 3.18788 2.13951 -118.46243 584.85708
|
|
3400.0000 -121.57554 -117.04140 4.53414 2.18334 -117.86758 644.63819
|
|
3405.0000 -122.15967 -118.04133 4.11834 2.21910 -117.38218 679.36214
|
|
3410.0000 -121.94426 -118.05938 3.88488 2.18298 -117.87234 629.94981
|
|
3415.0000 -121.58150 -116.61009 4.97141 2.22131 -117.35220 639.42322
|
|
3420.0000 -121.20315 -116.73554 4.46761 2.29500 -116.35208 720.15802
|
|
3425.0000 -121.60981 -117.39056 4.21924 2.20715 -117.54436 694.16829
|
|
3430.0000 -121.57315 -117.01444 4.55871 2.20519 -117.57094 658.68739
|
|
3435.0000 -120.63535 -116.35855 4.27680 2.26713 -116.73036 698.21315
|
|
3440.0000 -121.55019 -116.54516 5.00503 2.29078 -116.40927 716.76657
|
|
3445.0000 -121.51288 -117.03947 4.47341 2.23599 -117.15300 674.17324
|
|
3450.0000 -121.57759 -116.60457 4.97302 2.24536 -117.02575 689.13502
|
|
3455.0000 -121.38271 -116.67666 4.70605 2.28736 -116.45569 679.88578
|
|
3460.0000 -121.18493 -116.11047 5.07446 2.27977 -116.55874 744.01925
|
|
3465.0000 -121.65804 -116.98119 4.67686 2.25943 -116.83475 690.09042
|
|
3470.0000 -121.02368 -116.22533 4.79835 2.27636 -116.60506 729.16543
|
|
3475.0000 -121.08061 -116.53478 4.54583 2.28069 -116.54627 718.59377
|
|
3480.0000 -121.95275 -118.09480 3.85796 2.20471 -117.57742 645.71751
|
|
3485.0000 -121.72013 -117.59229 4.12784 2.17508 -117.97956 640.84237
|
|
3490.0000 -121.98514 -116.97134 5.01380 2.19768 -117.67286 653.91924
|
|
3495.0000 -121.88634 -117.51178 4.37457 2.20890 -117.52055 656.13564
|
|
3500.0000 -121.76486 -117.62030 4.14456 2.18509 -117.84380 649.84519
|
|
MELTING PROCESS: loop number 15 T-loop= 699.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 699.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.84458 0.73675 0.18068
|
|
force_rgl> df(natom) 1.45838 -0.91622 -1.57836
|
|
3505.0000 -121.47105 -117.37975 4.09130 2.18823 -117.80116 666.05151
|
|
3510.0000 -122.22602 -117.51709 4.70893 2.18086 -117.90123 658.98519
|
|
3515.0000 -120.93137 -116.14874 4.78263 2.23125 -117.21734 677.83270
|
|
3520.0000 -121.03857 -116.84063 4.19794 2.31972 -116.01658 731.76975
|
|
3525.0000 -120.26485 -114.80103 5.46382 2.36887 -115.34949 782.74025
|
|
3530.0000 -121.50574 -117.15989 4.34585 2.34473 -115.67719 758.83371
|
|
3535.0000 -121.82559 -118.16776 3.65783 2.20536 -117.56872 655.95933
|
|
3540.0000 -122.19356 -118.17123 4.02234 2.15814 -118.20956 629.10025
|
|
3545.0000 -122.28339 -118.62083 3.66256 2.18039 -117.90754 656.60188
|
|
3550.0000 -122.22391 -118.06278 4.16113 2.16221 -118.15424 631.10018
|
|
3555.0000 -121.03050 -116.30075 4.72976 2.18554 -117.83765 655.05860
|
|
3560.0000 -121.14011 -116.69552 4.44459 2.26732 -116.72776 696.32791
|
|
3565.0000 -121.56895 -116.83209 4.73687 2.27245 -116.65806 716.22111
|
|
3570.0000 -121.31013 -117.00942 4.30070 2.30042 -116.27843 734.82906
|
|
3575.0000 -122.17730 -118.26011 3.91719 2.21871 -117.38747 636.72743
|
|
3580.0000 -121.92836 -118.06845 3.85991 2.15252 -118.28578 609.55799
|
|
3585.0000 -122.20155 -117.94906 4.25250 2.17001 -118.04839 626.78291
|
|
3590.0000 -120.73184 -115.62426 5.10758 2.28701 -116.46052 686.99852
|
|
3595.0000 -121.17354 -116.50256 4.67099 2.34068 -115.73212 747.08942
|
|
3600.0000 -121.88887 -117.30684 4.58203 2.26667 -116.73657 731.41101
|
|
3605.0000 -122.53741 -117.63848 4.89894 2.20297 -117.60110 675.54687
|
|
3610.0000 -121.70237 -117.40654 4.29583 2.22664 -117.27986 664.59970
|
|
3615.0000 -122.46921 -118.21563 4.25359 2.17708 -117.95245 627.83472
|
|
3620.0000 -121.58918 -117.65414 3.93504 2.17402 -117.99401 635.33283
|
|
3625.0000 -120.44602 -116.28466 4.16136 2.26115 -116.81141 715.75337
|
|
3630.0000 -120.42351 -116.24764 4.17586 2.30824 -116.17236 705.22759
|
|
3635.0000 -121.14054 -116.77454 4.36600 2.26430 -116.76871 699.30534
|
|
3640.0000 -121.51068 -115.66997 5.84071 2.27752 -116.58934 723.45539
|
|
3645.0000 -120.81805 -115.59518 5.22288 2.39273 -115.02569 804.57223
|
|
3650.0000 -120.63083 -115.26883 5.36199 2.37355 -115.28597 789.25108
|
|
3655.0000 -121.02753 -116.69328 4.33425 2.34620 -115.65721 763.06757
|
|
3660.0000 -121.80391 -117.15839 4.64551 2.27842 -116.57707 732.13275
|
|
3665.0000 -121.12549 -116.30387 4.82163 2.25133 -116.94480 699.17501
|
|
3670.0000 -121.82235 -117.91744 3.90491 2.21581 -117.42681 696.87468
|
|
3675.0000 -122.08981 -117.47598 4.61383 2.20280 -117.60338 663.80199
|
|
3680.0000 -120.60272 -115.95484 4.64788 2.26578 -116.74866 688.39592
|
|
3685.0000 -121.30731 -117.11383 4.19348 2.29489 -116.35354 714.50220
|
|
3690.0000 -121.33737 -116.72095 4.61642 2.26493 -116.76016 681.46213
|
|
3695.0000 -121.74162 -118.11517 3.62645 2.22027 -117.36634 677.79383
|
|
3700.0000 -122.27562 -118.35269 3.92292 2.15130 -118.30235 615.78773
|
|
3705.0000 -122.61607 -117.19650 5.41956 2.21431 -117.44715 695.46447
|
|
3710.0000 -121.65632 -117.46314 4.19318 2.23574 -117.15635 693.20520
|
|
3715.0000 -122.23186 -117.89569 4.33617 2.18578 -117.83443 659.41036
|
|
3720.0000 -120.50921 -116.96754 3.54167 2.19756 -117.67446 644.41222
|
|
3725.0000 -121.79952 -116.23801 5.56152 2.29621 -116.33560 744.12779
|
|
3730.0000 -121.28315 -116.65287 4.63028 2.26249 -116.79333 732.11767
|
|
3735.0000 -120.55088 -116.27980 4.27108 2.27970 -116.55966 715.08250
|
|
3740.0000 -121.43926 -116.35545 5.08381 2.31177 -116.12449 710.52484
|
|
3745.0000 -122.05407 -117.67326 4.38081 2.22303 -117.32878 654.29344
|
|
3750.0000 -121.76257 -117.26688 4.49569 2.20360 -117.59255 669.10754
|
|
MELTING PROCESS: loop number 16 T-loop= 724.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 724.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.39059 -0.48329 -0.67833
|
|
force_rgl> df(natom) 0.95370 3.38923 -2.40056
|
|
3755.0000 -121.88815 -117.36554 4.52261 2.23320 -117.19082 671.08108
|
|
3760.0000 -120.83310 -116.58411 4.24899 2.30189 -116.25861 723.73812
|
|
3765.0000 -121.47899 -117.30341 4.17558 2.26345 -116.78031 689.72247
|
|
3770.0000 -120.88483 -115.80560 5.07923 2.29437 -116.36066 679.86981
|
|
3775.0000 -121.19935 -116.79894 4.40041 2.31383 -116.09655 733.35667
|
|
3780.0000 -122.04807 -116.99652 5.05155 2.25561 -116.88669 706.46602
|
|
3785.0000 -121.66880 -116.13681 5.53199 2.27934 -116.56456 732.51919
|
|
3790.0000 -121.14299 -116.50969 4.63330 2.29404 -116.36515 712.97376
|
|
3795.0000 -121.24000 -116.90563 4.33438 2.23031 -117.23008 686.66227
|
|
3800.0000 -121.11140 -116.95004 4.16136 2.27362 -116.64221 732.93079
|
|
3805.0000 -121.36551 -116.34158 5.02393 2.25601 -116.88125 717.17486
|
|
3810.0000 -121.01722 -117.14282 3.87440 2.27499 -116.62369 718.54864
|
|
3815.0000 -121.29433 -116.61708 4.67725 2.25708 -116.86670 713.95651
|
|
3820.0000 -121.14744 -116.22359 4.92386 2.27842 -116.57711 711.84183
|
|
3825.0000 -122.22486 -117.58189 4.64297 2.28107 -116.54108 742.73545
|
|
3830.0000 -121.70366 -117.12427 4.57938 2.23510 -117.16509 677.58644
|
|
3835.0000 -121.41626 -116.52092 4.89534 2.23017 -117.23189 655.79024
|
|
3840.0000 -122.11174 -117.44109 4.67065 2.26921 -116.70214 704.25164
|
|
3845.0000 -121.45083 -116.74791 4.70291 2.26136 -116.80857 707.95948
|
|
3850.0000 -121.31507 -117.07344 4.24164 2.24564 -117.02196 680.17941
|
|
3855.0000 -122.56860 -116.56039 6.00821 2.25356 -116.91442 733.56188
|
|
3860.0000 -122.24706 -117.55522 4.69184 2.25177 -116.93883 702.45075
|
|
3865.0000 -121.52964 -116.87689 4.65274 2.27721 -116.59350 729.53902
|
|
3870.0000 -119.67071 -115.10910 4.56161 2.31378 -116.09713 773.21492
|
|
3875.0000 -120.02815 -115.94441 4.08375 2.40281 -114.88885 814.63490
|
|
3880.0000 -120.19051 -115.80722 4.38329 2.38688 -115.10504 827.41359
|
|
3885.0000 -119.96437 -115.17351 4.79086 2.34765 -115.63753 761.48148
|
|
3890.0000 -121.21896 -116.36568 4.85328 2.31769 -116.04406 715.19968
|
|
3895.0000 -120.83935 -114.92367 5.91568 2.36375 -115.41902 794.57248
|
|
3900.0000 -119.61810 -114.51893 5.09916 2.39069 -115.05332 776.45070
|
|
3905.0000 -121.20424 -115.95226 5.25198 2.36019 -115.46730 778.23886
|
|
3910.0000 -120.43698 -114.57981 5.85716 2.33386 -115.82462 790.62116
|
|
3915.0000 -120.21359 -115.94278 4.27080 2.38418 -115.14172 799.66623
|
|
3920.0000 -121.99166 -116.36327 5.62839 2.31689 -116.05500 751.73495
|
|
3925.0000 -122.24919 -117.93750 4.31169 2.25295 -116.92275 696.16375
|
|
3930.0000 -121.38874 -117.08857 4.30016 2.20066 -117.63251 663.45558
|
|
3935.0000 -120.14479 -115.08471 5.06007 2.26339 -116.78105 711.03875
|
|
3940.0000 -120.49733 -114.96860 5.52873 2.34268 -115.70491 785.08495
|
|
3945.0000 -119.78045 -115.66266 4.11779 2.37607 -115.25175 763.82085
|
|
3950.0000 -120.27764 -115.36512 4.91251 2.33246 -115.84361 783.89862
|
|
3955.0000 -120.53220 -115.32222 5.20997 2.37092 -115.32172 750.90271
|
|
3960.0000 -121.41110 -116.39214 5.01895 2.32658 -115.92346 704.94504
|
|
3965.0000 -121.28235 -116.96746 4.31489 2.26502 -116.75901 714.65797
|
|
3970.0000 -121.86072 -117.68882 4.17190 2.22220 -117.34006 670.76611
|
|
3975.0000 -121.32916 -115.76849 5.56067 2.25385 -116.91051 698.23960
|
|
3980.0000 -119.99143 -115.65792 4.33350 2.32092 -116.00027 740.13627
|
|
3985.0000 -120.20822 -115.18291 5.02531 2.37742 -115.23349 764.81281
|
|
3990.0000 -122.73413 -117.97811 4.75601 2.27284 -116.65287 719.53269
|
|
3995.0000 -122.69817 -116.95319 5.74498 2.21812 -117.39554 681.56595
|
|
4000.0000 -121.33925 -117.86225 3.47700 2.20913 -117.51745 644.88115
|
|
MELTING PROCESS: loop number 17 T-loop= 749.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 749.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.49866 -0.06375 0.77760
|
|
force_rgl> df(natom) 0.20107 3.52317 2.24494
|
|
4005.0000 -121.63861 -116.95743 4.68118 2.22775 -117.26483 651.93661
|
|
4010.0000 -122.36887 -118.05403 4.31483 2.24142 -117.07931 705.65589
|
|
4015.0000 -122.18189 -117.55257 4.62931 2.17984 -117.91501 647.94241
|
|
4020.0000 -121.99808 -117.60379 4.39429 2.25570 -116.88542 713.34865
|
|
4025.0000 -121.02217 -116.49609 4.52608 2.24827 -116.98623 702.56802
|
|
4030.0000 -121.46454 -117.62375 3.84079 2.25278 -116.92507 717.51415
|
|
4035.0000 -121.78410 -117.88719 3.89691 2.17697 -117.95404 650.12215
|
|
4040.0000 -121.84858 -117.74924 4.09934 2.18741 -117.81223 653.30737
|
|
4045.0000 -120.44764 -116.38611 4.06153 2.23550 -117.15961 687.78694
|
|
4050.0000 -120.64528 -116.39981 4.24547 2.31340 -116.10236 763.07285
|
|
4055.0000 -120.94603 -116.26923 4.67680 2.28864 -116.43835 728.92831
|
|
4060.0000 -119.57336 -114.48469 5.08867 2.31551 -116.07370 723.98314
|
|
4065.0000 -120.17792 -115.41691 4.76101 2.38144 -115.17891 811.35727
|
|
4070.0000 -119.53329 -114.94074 4.59255 2.40418 -114.87031 780.23969
|
|
4075.0000 -120.54736 -115.69137 4.85599 2.38215 -115.16919 768.58572
|
|
4080.0000 -120.83835 -116.08347 4.75488 2.33854 -115.76112 746.15653
|
|
4085.0000 -121.63355 -116.84112 4.79243 2.29451 -116.35873 708.40665
|
|
4090.0000 -121.46248 -116.90018 4.56230 2.28043 -116.54984 720.40289
|
|
4095.0000 -121.20170 -117.04252 4.15918 2.26641 -116.74003 711.84082
|
|
4100.0000 -121.62626 -116.86549 4.76077 2.23375 -117.18335 717.09720
|
|
4105.0000 -121.19784 -116.35963 4.83821 2.23357 -117.18583 698.29473
|
|
4110.0000 -119.54151 -115.14130 4.40021 2.35764 -115.50189 765.32113
|
|
4115.0000 -121.42854 -116.12415 5.30439 2.35304 -115.56434 757.18128
|
|
4120.0000 -120.92132 -115.55616 5.36515 2.31239 -116.11598 750.51063
|
|
4125.0000 -121.32383 -116.35277 4.97106 2.36215 -115.44072 800.63643
|
|
4130.0000 -120.97052 -116.48338 4.48713 2.36248 -115.43622 738.91874
|
|
4135.0000 -121.74564 -116.24448 5.50116 2.31805 -116.03925 764.35674
|
|
4140.0000 -121.63543 -117.18564 4.44979 2.28153 -116.53494 718.75394
|
|
4145.0000 -120.88356 -116.09463 4.78893 2.26614 -116.74377 740.88473
|
|
4150.0000 -122.48569 -118.55625 3.92944 2.23435 -117.17527 689.70425
|
|
4155.0000 -122.24411 -117.36138 4.88273 2.18157 -117.89149 639.01305
|
|
4160.0000 -119.84228 -115.93167 3.91061 2.26881 -116.70744 724.62763
|
|
4165.0000 -120.66332 -116.68772 3.97561 2.30191 -116.25834 743.31389
|
|
4170.0000 -121.47450 -116.39215 5.08235 2.23790 -117.12701 700.70677
|
|
4175.0000 -121.76991 -116.65811 5.11181 2.25896 -116.84115 714.14882
|
|
4180.0000 -121.13496 -115.97974 5.15522 2.31497 -116.08107 762.45770
|
|
4185.0000 -120.52256 -116.08611 4.43645 2.32028 -116.00902 724.53071
|
|
4190.0000 -118.92989 -114.54646 4.38342 2.39295 -115.02263 753.71955
|
|
4195.0000 -121.27643 -116.66588 4.61055 2.33575 -115.79906 750.98176
|
|
4200.0000 -122.09561 -117.35643 4.73918 2.26533 -116.75478 715.55854
|
|
4205.0000 -121.22970 -117.50419 3.72551 2.22106 -117.35558 666.30139
|
|
4210.0000 -121.42687 -117.28723 4.13963 2.26448 -116.76628 717.38910
|
|
4215.0000 -120.77523 -115.45595 5.31928 2.29884 -116.30001 739.56957
|
|
4220.0000 -120.48359 -115.99778 4.48581 2.30713 -116.18743 684.51992
|
|
4225.0000 -119.57226 -114.82050 4.75176 2.34343 -115.69479 755.06174
|
|
4230.0000 -121.08638 -115.14973 5.93664 2.36783 -115.36358 781.36966
|
|
4235.0000 -120.92302 -116.66288 4.26013 2.30583 -116.20502 753.87273
|
|
4240.0000 -119.39077 -115.36563 4.02514 2.30716 -116.18703 748.19522
|
|
4245.0000 -120.13177 -115.14741 4.98436 2.34048 -115.73484 769.50250
|
|
4250.0000 -120.80906 -115.77242 5.03663 2.29906 -116.29693 736.36628
|
|
MELTING PROCESS: loop number 18 T-loop= 774.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 774.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.23665 -2.21395 -5.20186
|
|
force_rgl> df(natom) 0.92269 -2.89859 -0.18267
|
|
4255.0000 -119.00059 -114.52034 4.48025 2.41224 -114.76091 830.96896
|
|
4260.0000 -119.03759 -114.15007 4.88752 2.42322 -114.61185 813.27134
|
|
4265.0000 -119.91433 -115.08393 4.83040 2.41443 -114.73119 825.67329
|
|
4270.0000 -120.80487 -115.21450 5.59038 2.41747 -114.68983 803.03273
|
|
4275.0000 -120.26208 -114.56829 5.69378 2.39331 -115.01784 782.52623
|
|
4280.0000 -120.24141 -114.92844 5.31297 2.39683 -114.97002 750.27059
|
|
4285.0000 -120.21628 -114.98062 5.23566 2.40963 -114.79630 808.92579
|
|
4290.0000 -120.26095 -115.58821 4.67274 2.35702 -115.51038 784.02812
|
|
4295.0000 -121.04612 -116.71086 4.33526 2.34399 -115.68717 777.01541
|
|
4300.0000 -121.48431 -116.91702 4.56730 2.25532 -116.89056 705.29301
|
|
4305.0000 -121.92658 -116.88341 5.04317 2.28498 -116.48803 751.54243
|
|
4310.0000 -120.90881 -115.55083 5.35797 2.31721 -116.05068 757.19306
|
|
4315.0000 -121.33259 -115.84491 5.48768 2.38237 -115.16628 807.66852
|
|
4320.0000 -119.49491 -115.81308 3.68183 2.30178 -116.26005 719.35374
|
|
4325.0000 -119.56065 -114.93273 4.62792 2.39492 -114.99594 762.94204
|
|
4330.0000 -120.51786 -114.76892 5.74894 2.38079 -115.18769 783.52843
|
|
4335.0000 -119.50795 -113.91365 5.59430 2.43087 -114.50799 812.01196
|
|
4340.0000 -120.20500 -114.04662 6.15837 2.44003 -114.38369 830.09448
|
|
4345.0000 -121.14999 -115.63327 5.51672 2.37418 -115.27746 764.48719
|
|
4350.0000 -119.98048 -115.24830 4.73218 2.35741 -115.50498 756.23392
|
|
4355.0000 -118.92983 -114.60068 4.32915 2.38499 -115.13069 784.28301
|
|
4360.0000 -120.17122 -115.58952 4.58170 2.38048 -115.19190 774.48544
|
|
4365.0000 -120.63391 -115.08337 5.55053 2.37650 -115.24590 754.82601
|
|
4370.0000 -120.85806 -114.49288 6.36519 2.39383 -115.01071 815.45470
|
|
4375.0000 -121.15993 -115.74565 5.41428 2.37141 -115.31497 804.70809
|
|
4380.0000 -120.36622 -114.73237 5.63385 2.43004 -114.51932 840.07578
|
|
4385.0000 -121.29672 -115.52175 5.77497 2.38318 -115.15531 785.35204
|
|
4390.0000 -121.06605 -115.75044 5.31562 2.35719 -115.50806 796.21936
|
|
4395.0000 -120.37411 -115.86755 4.50657 2.32185 -115.98768 772.07648
|
|
4400.0000 -121.26143 -115.52690 5.73452 2.35860 -115.48891 789.95278
|
|
4405.0000 -121.05392 -116.25426 4.79966 2.33769 -115.77267 743.64396
|
|
4410.0000 -120.63201 -116.20456 4.42745 2.29776 -116.31465 714.46695
|
|
4415.0000 -121.23220 -116.51306 4.71914 2.29329 -116.37523 739.30342
|
|
4420.0000 -120.35694 -116.09309 4.26385 2.31263 -116.11281 749.89904
|
|
4425.0000 -118.93558 -112.31029 6.62529 2.41135 -114.77291 816.07918
|
|
4430.0000 -120.68277 -115.19393 5.48884 2.43562 -114.44358 860.62588
|
|
4435.0000 -120.44692 -116.08742 4.35950 2.38657 -115.10924 818.00690
|
|
4440.0000 -120.40700 -115.20330 5.20370 2.38066 -115.18946 780.94775
|
|
4445.0000 -119.67992 -114.38813 5.29179 2.35476 -115.54093 762.64038
|
|
4450.0000 -120.75713 -116.64103 4.11609 2.31889 -116.02785 734.66842
|
|
4455.0000 -120.01366 -114.74916 5.26450 2.31908 -116.02527 739.43838
|
|
4460.0000 -120.68244 -114.56795 6.11449 2.39651 -114.97436 808.86059
|
|
4465.0000 -120.75565 -116.78252 3.97312 2.35627 -115.52053 739.95063
|
|
4470.0000 -120.94358 -115.56615 5.37743 2.20646 -117.55368 684.21320
|
|
4475.0000 -120.89740 -116.57413 4.32327 2.35003 -115.60525 794.04933
|
|
4480.0000 -120.62125 -115.88743 4.73383 2.33555 -115.80168 766.17010
|
|
4485.0000 -120.85948 -115.79884 5.06064 2.33492 -115.81029 742.54584
|
|
4490.0000 -120.01676 -115.72792 4.28884 2.37713 -115.23738 789.07858
|
|
4495.0000 -120.94904 -115.52295 5.42609 2.29640 -116.33312 725.13269
|
|
4500.0000 -119.16512 -113.79467 5.37045 2.40337 -114.88122 799.20847
|
|
MELTING PROCESS: loop number 19 T-loop= 799.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 799.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.55122 7.81705 0.11539
|
|
force_rgl> df(natom) 1.18845 0.61875 2.08095
|
|
4505.0000 -118.17492 -113.54964 4.62528 2.50589 -113.48984 929.54708
|
|
4510.0000 -118.78126 -113.23831 5.54295 2.52001 -113.29814 897.68633
|
|
4515.0000 -119.35937 -114.13182 5.22755 2.48471 -113.77734 870.11958
|
|
4520.0000 -119.84797 -113.24248 6.60549 2.52213 -113.26937 878.33509
|
|
4525.0000 -120.07707 -113.93377 6.14330 2.50056 -113.56213 858.99546
|
|
4530.0000 -120.05375 -113.92892 6.12482 2.46762 -114.00921 882.38596
|
|
4535.0000 -120.89458 -115.24131 5.65327 2.39569 -114.98542 796.11182
|
|
4540.0000 -120.65797 -114.79210 5.86587 2.42356 -114.60727 800.40347
|
|
4545.0000 -119.80645 -114.93168 4.87477 2.43139 -114.50099 857.38776
|
|
4550.0000 -120.74131 -116.17486 4.56645 2.36833 -115.35688 799.53162
|
|
4555.0000 -119.90444 -114.83552 5.06893 2.42497 -114.58805 808.40503
|
|
4560.0000 -119.35367 -113.61445 5.73922 2.44259 -114.34890 838.83401
|
|
4565.0000 -120.53115 -114.99383 5.53733 2.45971 -114.11665 851.77542
|
|
4570.0000 -121.91053 -117.16002 4.75051 2.25221 -116.93274 695.93448
|
|
4575.0000 -120.32223 -115.33119 4.99104 2.34169 -115.71841 794.68862
|
|
4580.0000 -120.88895 -116.89806 3.99089 2.29290 -116.38052 735.21150
|
|
4585.0000 -119.78636 -115.12725 4.65911 2.35460 -115.54317 757.59056
|
|
4590.0000 -120.43415 -115.83158 4.60257 2.35479 -115.54053 770.15602
|
|
4595.0000 -120.93652 -116.76887 4.16764 2.35819 -115.49441 785.11904
|
|
4600.0000 -121.06596 -115.40223 5.66373 2.26377 -116.77597 740.31238
|
|
4605.0000 -119.85232 -113.71397 6.13835 2.38941 -115.07073 786.40907
|
|
4610.0000 -118.85948 -114.50779 4.35169 2.45331 -114.20348 843.60846
|
|
4615.0000 -120.77785 -115.89605 4.88180 2.37549 -115.25958 774.90257
|
|
4620.0000 -120.79145 -115.89537 4.89608 2.36372 -115.41933 780.57939
|
|
4625.0000 -120.73831 -115.78180 4.95651 2.36537 -115.39703 816.85513
|
|
4630.0000 -120.63255 -115.30524 5.32732 2.36201 -115.44258 784.26195
|
|
4635.0000 -119.27398 -113.80049 5.47349 2.41367 -114.74142 759.13402
|
|
4640.0000 -120.21276 -115.03352 5.17924 2.45175 -114.22462 810.96386
|
|
4645.0000 -121.00504 -115.95778 5.04726 2.30996 -116.14906 743.55285
|
|
4650.0000 -120.79165 -115.84271 4.94894 2.34603 -115.65954 785.95743
|
|
4655.0000 -121.30259 -116.83422 4.46837 2.35039 -115.60025 769.71151
|
|
4660.0000 -121.08095 -116.29984 4.78111 2.27030 -116.68724 722.04681
|
|
4665.0000 -119.25697 -113.63586 5.62111 2.41381 -114.73960 835.44343
|
|
4670.0000 -120.74128 -115.64616 5.09512 2.44323 -114.34033 856.96654
|
|
4675.0000 -120.89811 -115.36494 5.53317 2.41077 -114.78079 829.05680
|
|
4680.0000 -121.32831 -116.06972 5.25859 2.31182 -116.12380 739.22696
|
|
4685.0000 -121.52781 -115.78126 5.74655 2.33090 -115.86478 761.00061
|
|
4690.0000 -121.62466 -116.25160 5.37306 2.31449 -116.08756 760.70235
|
|
4695.0000 -120.45432 -115.56803 4.88629 2.25361 -116.91384 672.62489
|
|
4700.0000 -119.67920 -113.70108 5.97812 2.39858 -114.94626 838.99867
|
|
4705.0000 -119.22904 -113.52240 5.70663 2.47602 -113.89527 855.47271
|
|
4710.0000 -119.78782 -114.64925 5.13857 2.44994 -114.24918 825.01720
|
|
4715.0000 -120.11962 -115.22564 4.89399 2.36134 -115.45164 750.80890
|
|
4720.0000 -120.64118 -115.36328 5.27790 2.37303 -115.29304 808.69055
|
|
4725.0000 -120.53218 -115.41194 5.12025 2.33183 -115.85223 777.49765
|
|
4730.0000 -121.02715 -115.67384 5.35330 2.34148 -115.72119 768.36058
|
|
4735.0000 -121.65765 -115.66828 5.98937 2.32209 -115.98441 747.74090
|
|
4740.0000 -119.88255 -115.00797 4.87458 2.33543 -115.80335 745.28473
|
|
4745.0000 -120.99891 -114.94316 6.05575 2.36622 -115.38545 777.72973
|
|
4750.0000 -119.59532 -114.28695 5.30837 2.41502 -114.72318 846.41498
|
|
MELTING PROCESS: loop number 20 T-loop= 824.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 824.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.87330 1.43308 -0.21141
|
|
force_rgl> df(natom) 1.51923 1.96396 1.62387
|
|
4755.0000 -120.09835 -114.61815 5.48019 2.38611 -115.11557 783.46118
|
|
4760.0000 -119.42671 -114.61757 4.80914 2.46349 -114.06532 849.22899
|
|
4765.0000 -119.27454 -113.80035 5.47419 2.40003 -114.92654 831.41515
|
|
4770.0000 -118.38559 -112.89012 5.49548 2.46125 -114.09564 873.59251
|
|
4775.0000 -120.11575 -115.40068 4.71507 2.47723 -113.87878 832.34828
|
|
4780.0000 -121.68743 -114.94994 6.73749 2.31166 -116.12594 720.97530
|
|
4785.0000 -120.41648 -115.80970 4.60678 2.37400 -115.27989 799.63505
|
|
4790.0000 -119.72302 -114.74446 4.97855 2.38488 -115.13224 783.32036
|
|
4795.0000 -120.82641 -114.67129 6.15513 2.41801 -114.68253 795.52980
|
|
4800.0000 -119.81469 -115.09893 4.71577 2.44127 -114.36682 850.76535
|
|
4805.0000 -119.86009 -114.83246 5.02764 2.41430 -114.73285 798.73678
|
|
4810.0000 -118.96720 -113.36610 5.60111 2.43865 -114.40246 806.84309
|
|
4815.0000 -119.37676 -114.05659 5.32017 2.41414 -114.73511 816.54339
|
|
4820.0000 -120.39277 -114.73107 5.66170 2.44602 -114.30242 881.10590
|
|
4825.0000 -120.81411 -114.98229 5.83183 2.36892 -115.34879 794.75930
|
|
4830.0000 -121.05575 -115.75913 5.29662 2.40560 -114.85098 818.00177
|
|
4835.0000 -121.32492 -116.83617 4.48875 2.29146 -116.40012 700.13730
|
|
4840.0000 -121.68794 -116.90843 4.77951 2.26894 -116.70572 725.41592
|
|
4845.0000 -120.15770 -115.69646 4.46124 2.31594 -116.06785 762.20819
|
|
4850.0000 -121.17644 -115.10633 6.07011 2.36566 -115.39311 771.38501
|
|
4855.0000 -119.95354 -115.10433 4.84922 2.39485 -114.99689 825.15724
|
|
4860.0000 -118.91954 -114.66656 4.25297 2.42962 -114.52493 830.91069
|
|
4865.0000 -120.47594 -115.11311 5.36283 2.39707 -114.96675 813.89702
|
|
4870.0000 -120.41934 -114.33932 6.08002 2.39327 -115.01826 813.26660
|
|
4875.0000 -120.45921 -115.31806 5.14115 2.37866 -115.21668 790.40524
|
|
4880.0000 -118.13725 -113.26030 4.87695 2.40213 -114.89814 838.22361
|
|
4885.0000 -118.94354 -112.92145 6.02209 2.56044 -112.74950 944.29462
|
|
4890.0000 -118.82220 -112.71176 6.11044 2.52883 -113.17848 910.05218
|
|
4895.0000 -120.12591 -114.99482 5.13109 2.44977 -114.25149 803.10874
|
|
4900.0000 -121.24219 -115.49246 5.74973 2.35266 -115.56943 766.58934
|
|
4905.0000 -121.01285 -117.25050 3.76235 2.27145 -116.67173 699.97966
|
|
4910.0000 -120.31243 -115.23469 5.07774 2.31547 -116.07429 706.69099
|
|
4915.0000 -120.33883 -114.35819 5.98065 2.45437 -114.18912 848.83837
|
|
4920.0000 -120.26354 -114.84669 5.41685 2.44719 -114.28650 863.74918
|
|
4925.0000 -120.43667 -115.46040 4.97627 2.39418 -115.00595 818.08393
|
|
4930.0000 -119.19496 -114.24529 4.94967 2.39815 -114.95205 818.35716
|
|
4935.0000 -121.51691 -114.98955 6.52736 2.43333 -114.47467 871.34561
|
|
4940.0000 -119.70918 -114.45509 5.25409 2.42528 -114.58388 828.22983
|
|
4945.0000 -119.77302 -114.46796 5.30506 2.44818 -114.27306 823.76330
|
|
4950.0000 -119.86586 -114.20523 5.66063 2.41020 -114.78856 820.71227
|
|
4955.0000 -118.47459 -113.47421 5.00037 2.44264 -114.34825 854.50583
|
|
4960.0000 -118.99410 -113.00636 5.98774 2.56035 -112.75075 925.01742
|
|
4965.0000 -119.73495 -115.35754 4.37740 2.48071 -113.83158 858.01248
|
|
4970.0000 -121.01159 -115.98589 5.02570 2.32430 -115.95442 746.82153
|
|
4975.0000 -118.77759 -114.70523 4.07236 2.37233 -115.30253 794.46504
|
|
4980.0000 -118.85976 -113.87163 4.98813 2.46898 -113.99082 854.62826
|
|
4985.0000 -120.33118 -114.11193 6.21925 2.47673 -113.88564 873.49147
|
|
4990.0000 -121.34595 -116.15792 5.18804 2.39413 -115.00666 806.49675
|
|
4995.0000 -120.86799 -116.15167 4.71633 2.32807 -115.90319 737.59750
|
|
5000.0000 -120.94548 -116.39751 4.54797 2.30559 -116.20838 747.63757
|
|
MELTING PROCESS: loop number 21 T-loop= 849.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 849.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.27224 -1.86244 -0.63224
|
|
force_rgl> df(natom) 1.55665 0.90270 3.26451
|
|
5005.0000 -120.40081 -115.13298 5.26784 2.32854 -115.89678 789.10682
|
|
5010.0000 -119.70779 -113.84617 5.86162 2.42701 -114.56042 820.38865
|
|
5015.0000 -120.38603 -114.80984 5.57619 2.45934 -114.12163 866.96100
|
|
5020.0000 -120.21886 -114.93948 5.27938 2.43645 -114.43226 876.30765
|
|
5025.0000 -120.62471 -115.08990 5.53482 2.38723 -115.10037 823.88334
|
|
5030.0000 -119.15618 -113.86118 5.29499 2.45477 -114.18363 832.80858
|
|
5035.0000 -119.43725 -113.86830 5.56894 2.39527 -114.99122 821.78582
|
|
5040.0000 -118.16075 -113.62466 4.53608 2.44349 -114.33675 838.82181
|
|
5045.0000 -121.13327 -115.98162 5.15166 2.44991 -114.24967 803.91385
|
|
5050.0000 -119.69996 -114.23206 5.46790 2.39231 -115.03134 808.54700
|
|
5055.0000 -119.34796 -114.51111 4.83686 2.42873 -114.53712 842.48561
|
|
5060.0000 -118.67318 -113.77129 4.90188 2.45050 -114.24158 852.80736
|
|
5065.0000 -119.15860 -113.65078 5.50782 2.48681 -113.74875 848.45557
|
|
5070.0000 -119.05682 -114.02673 5.03009 2.45061 -114.24009 818.40506
|
|
5075.0000 -119.58972 -115.12992 4.45980 2.41767 -114.68718 842.48394
|
|
5080.0000 -119.07374 -112.61839 6.45535 2.46735 -114.01295 898.11779
|
|
5085.0000 -118.11494 -113.16487 4.95008 2.58087 -112.47227 951.78954
|
|
5090.0000 -120.08078 -114.31150 5.76928 2.50663 -113.47973 904.41787
|
|
5095.0000 -119.15628 -112.92230 6.23399 2.49807 -113.59598 892.30279
|
|
5100.0000 -118.81720 -112.63140 6.18579 2.54595 -112.94619 935.91021
|
|
5105.0000 -119.08220 -112.99455 6.08765 2.51717 -113.33672 869.34766
|
|
5110.0000 -118.78348 -113.31891 5.46457 2.52210 -113.26988 900.03849
|
|
5115.0000 -120.38292 -116.12119 4.26173 2.43108 -114.50517 834.20031
|
|
5120.0000 -119.49857 -113.74242 5.75614 2.47416 -113.92047 835.39238
|
|
5125.0000 -119.52096 -114.30737 5.21359 2.42477 -114.59077 849.78396
|
|
5130.0000 -120.40117 -115.70458 4.69659 2.40052 -114.91994 800.13659
|
|
5135.0000 -118.63993 -113.40412 5.23581 2.44353 -114.33618 837.94326
|
|
5140.0000 -119.23858 -113.19041 6.04817 2.50264 -113.53389 901.80295
|
|
5145.0000 -120.34646 -115.28930 5.05716 2.44943 -114.25615 855.83553
|
|
5150.0000 -119.50260 -114.01680 5.48580 2.43161 -114.49796 849.41986
|
|
5155.0000 -119.48157 -113.70083 5.78073 2.46787 -114.00582 864.65861
|
|
5160.0000 -120.00393 -114.42979 5.57413 2.44845 -114.26941 848.29403
|
|
5165.0000 -120.31888 -115.58547 4.73341 2.37525 -115.26288 784.98108
|
|
5170.0000 -120.41282 -115.18236 5.23045 2.35986 -115.47176 757.25971
|
|
5175.0000 -120.29067 -114.40555 5.88512 2.41656 -114.70224 841.41880
|
|
5180.0000 -119.81562 -114.44280 5.37282 2.41621 -114.70693 819.40119
|
|
5185.0000 -120.56615 -114.89200 5.67415 2.35894 -115.48432 782.75301
|
|
5190.0000 -119.16997 -113.73030 5.43967 2.44051 -114.37723 835.64241
|
|
5195.0000 -117.68126 -112.89208 4.78918 2.51742 -113.33334 885.25283
|
|
5200.0000 -119.48909 -113.34840 6.14069 2.55821 -112.77972 921.44171
|
|
5205.0000 -120.31048 -114.42260 5.88789 2.46496 -114.04538 851.40338
|
|
5210.0000 -120.39280 -114.97818 5.41462 2.39593 -114.98217 804.95203
|
|
5215.0000 -119.81182 -114.27884 5.53298 2.37615 -115.25068 796.20047
|
|
5220.0000 -118.80525 -113.63134 5.17391 2.48276 -113.80383 879.60584
|
|
5225.0000 -120.32059 -114.53872 5.78187 2.45994 -114.11346 829.60530
|
|
5230.0000 -119.88502 -114.83458 5.05043 2.45682 -114.15577 860.16063
|
|
5235.0000 -119.13871 -113.51926 5.61946 2.50673 -113.47841 886.83246
|
|
5240.0000 -119.66827 -113.29307 6.37520 2.49653 -113.61686 900.40078
|
|
5245.0000 -118.65666 -113.14990 5.50676 2.50068 -113.56055 900.58870
|
|
5250.0000 -120.42697 -114.32701 6.09996 2.51004 -113.43358 891.23799
|
|
MELTING PROCESS: loop number 22 T-loop= 874.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 874.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.64812 1.89195 -1.70930
|
|
force_rgl> df(natom) 3.90261 -2.68419 -1.21919
|
|
5255.0000 -120.16368 -115.08033 5.08336 2.45442 -114.18837 852.93111
|
|
5260.0000 -119.29022 -114.89114 4.39908 2.41409 -114.73582 839.04791
|
|
5265.0000 -119.67217 -115.01120 4.66097 2.43629 -114.43451 797.95816
|
|
5270.0000 -119.30535 -113.27045 6.03490 2.42848 -114.54050 838.07364
|
|
5275.0000 -119.88748 -113.97561 5.91188 2.43836 -114.40641 886.23173
|
|
5280.0000 -120.27269 -113.48285 6.78984 2.46340 -114.06652 855.31239
|
|
5285.0000 -119.88631 -115.41748 4.46882 2.47323 -113.93311 854.44749
|
|
5290.0000 -118.71475 -113.64971 5.06504 2.42177 -114.63152 821.23463
|
|
5295.0000 -120.50960 -114.34215 6.16746 2.44834 -114.27089 833.37118
|
|
5300.0000 -119.41615 -113.39138 6.02476 2.46124 -114.09583 846.74910
|
|
5305.0000 -119.76839 -113.23337 6.53503 2.51374 -113.38334 854.63403
|
|
5310.0000 -118.62301 -112.39351 6.22950 2.55464 -112.82820 899.80971
|
|
5315.0000 -119.01410 -113.73497 5.27913 2.53306 -113.12109 923.47807
|
|
5320.0000 -119.81714 -114.16996 5.64718 2.52149 -113.27810 932.76077
|
|
5325.0000 -120.23294 -115.56652 4.66642 2.40564 -114.85043 837.62364
|
|
5330.0000 -118.85254 -113.16597 5.68656 2.42060 -114.64742 842.24181
|
|
5335.0000 -119.28124 -113.65081 5.63043 2.49834 -113.59234 860.17889
|
|
5340.0000 -120.34441 -114.59860 5.74581 2.44522 -114.31332 836.65118
|
|
5345.0000 -122.04464 -116.64023 5.40442 2.36374 -115.41911 778.77944
|
|
5350.0000 -120.28956 -114.33695 5.95262 2.32801 -115.90407 739.21053
|
|
5355.0000 -120.12360 -115.07516 5.04844 2.42307 -114.61391 800.08774
|
|
5360.0000 -119.37406 -113.90230 5.47176 2.42727 -114.55685 814.81270
|
|
5365.0000 -119.73625 -114.14536 5.59088 2.48006 -113.84037 871.79209
|
|
5370.0000 -119.54448 -114.30489 5.23959 2.47372 -113.92647 880.57247
|
|
5375.0000 -119.26116 -113.30691 5.95425 2.44395 -114.33050 865.65398
|
|
5380.0000 -118.99937 -112.52292 6.47645 2.50867 -113.45216 895.47802
|
|
5385.0000 -118.46325 -113.38974 5.07351 2.51164 -113.41181 895.46791
|
|
5390.0000 -119.75858 -113.01220 6.74638 2.54432 -112.96832 897.26696
|
|
5395.0000 -119.10482 -112.93858 6.16625 2.56163 -112.73334 937.94107
|
|
5400.0000 -119.73273 -113.76571 5.96703 2.52402 -113.24374 930.00473
|
|
5405.0000 -118.61142 -113.91220 4.69922 2.50681 -113.47732 889.34025
|
|
5410.0000 -118.71636 -112.99293 5.72343 2.50076 -113.55942 909.50267
|
|
5415.0000 -119.01062 -113.09134 5.91928 2.54226 -112.99627 901.92238
|
|
5420.0000 -119.32416 -112.63076 6.69340 2.55216 -112.86183 930.79119
|
|
5425.0000 -119.47744 -113.62660 5.85084 2.54235 -112.99498 929.21285
|
|
5430.0000 -120.02788 -114.05221 5.97567 2.53619 -113.07861 935.78827
|
|
5435.0000 -118.78598 -113.50673 5.27925 2.51005 -113.43334 880.32272
|
|
5440.0000 -119.96525 -114.39910 5.56616 2.48951 -113.71219 874.32958
|
|
5445.0000 -119.43461 -113.34034 6.09426 2.50184 -113.54484 881.37594
|
|
5450.0000 -119.53839 -113.06574 6.47264 2.58212 -112.45523 926.06507
|
|
5455.0000 -119.01201 -113.20151 5.81049 2.56290 -112.71609 930.48383
|
|
5460.0000 -119.51681 -113.12762 6.38919 2.52172 -113.27495 917.05903
|
|
5465.0000 -119.94318 -113.75222 6.19096 2.46233 -114.08098 865.43018
|
|
5470.0000 -121.39487 -115.87851 5.51636 2.42791 -114.54824 864.28431
|
|
5475.0000 -119.98181 -114.30759 5.67422 2.42021 -114.65274 835.49142
|
|
5480.0000 -119.25745 -113.00422 6.25323 2.52222 -113.26825 927.45705
|
|
5485.0000 -120.04430 -114.77523 5.26907 2.47815 -113.86640 878.83427
|
|
5490.0000 -120.96968 -114.73060 6.23908 2.40114 -114.91145 820.25821
|
|
5495.0000 -119.44703 -113.27343 6.17360 2.46217 -114.08316 879.60589
|
|
5500.0000 -118.73594 -112.90886 5.82708 2.53752 -113.06062 898.20850
|
|
MELTING PROCESS: loop number 23 T-loop= 899.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 899.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.59883 -1.95542 -0.50665
|
|
force_rgl> df(natom) -2.21397 3.41418 -1.62872
|
|
5505.0000 -117.76395 -111.37602 6.38793 2.60739 -112.11226 973.26472
|
|
5510.0000 -118.04524 -112.36513 5.68011 2.62690 -111.84742 974.65934
|
|
5515.0000 -118.39272 -113.10846 5.28427 2.56098 -112.74220 890.71319
|
|
5520.0000 -119.20851 -113.52273 5.68578 2.51527 -113.36259 895.35187
|
|
5525.0000 -120.47302 -114.27687 6.19615 2.51754 -113.33172 907.33846
|
|
5530.0000 -119.03002 -113.47405 5.55597 2.47149 -113.95669 859.86285
|
|
5535.0000 -118.52218 -111.97665 6.54553 2.52862 -113.18132 911.98493
|
|
5540.0000 -117.01424 -110.13248 6.88176 2.68087 -111.11496 1014.89001
|
|
5545.0000 -117.79362 -111.80713 5.98649 2.67673 -111.17120 968.42447
|
|
5550.0000 -118.73734 -111.88404 6.85330 2.64601 -111.58817 998.16876
|
|
5555.0000 -118.72011 -112.48662 6.23349 2.60253 -112.17820 955.75879
|
|
5560.0000 -117.47711 -112.06664 5.41047 2.61061 -112.06857 1023.53000
|
|
5565.0000 -118.79437 -112.97718 5.81720 2.61266 -112.04081 938.24206
|
|
5570.0000 -119.16785 -112.21079 6.95706 2.54260 -112.99167 921.70100
|
|
5575.0000 -118.62483 -112.53035 6.09448 2.55120 -112.87490 928.42486
|
|
5580.0000 -118.33535 -113.15152 5.18383 2.52602 -113.21657 901.31970
|
|
5585.0000 -119.24329 -112.96791 6.27538 2.50385 -113.51759 842.96652
|
|
5590.0000 -118.79406 -111.91681 6.87725 2.52590 -113.21829 916.18003
|
|
5595.0000 -120.17145 -112.68627 7.48518 2.61979 -111.94395 992.28267
|
|
5600.0000 -119.59646 -113.65217 5.94429 2.52792 -113.19087 916.88793
|
|
5605.0000 -120.50270 -115.15460 5.34810 2.45656 -114.15934 854.85366
|
|
5610.0000 -120.47826 -114.37545 6.10281 2.42453 -114.59405 824.40069
|
|
5615.0000 -119.62889 -114.73108 4.89781 2.44168 -114.36128 853.04668
|
|
5620.0000 -119.05181 -114.20050 4.85131 2.40825 -114.81502 826.26178
|
|
5625.0000 -117.94205 -111.06301 6.87903 2.60208 -112.18431 970.49612
|
|
5630.0000 -117.10440 -111.58116 5.52324 2.63602 -111.72370 984.89628
|
|
5635.0000 -118.14532 -112.67004 5.47528 2.62285 -111.90243 968.26214
|
|
5640.0000 -119.24358 -112.97175 6.27183 2.51090 -113.42185 873.65997
|
|
5645.0000 -119.88636 -115.36694 4.51941 2.43183 -114.49494 846.37793
|
|
5650.0000 -119.41340 -113.40737 6.00603 2.42276 -114.61805 809.99406
|
|
5655.0000 -120.00974 -113.91164 6.09810 2.49457 -113.64352 873.11704
|
|
5660.0000 -118.23636 -111.98097 6.25539 2.55168 -112.86842 945.77414
|
|
5665.0000 -119.95933 -113.44511 6.51422 2.56632 -112.66971 975.06988
|
|
5670.0000 -120.55156 -114.66051 5.89105 2.47752 -113.87482 885.52336
|
|
5675.0000 -119.64575 -113.07483 6.57091 2.51048 -113.42756 892.79203
|
|
5680.0000 -118.39874 -112.23876 6.15997 2.54855 -112.91091 897.03648
|
|
5685.0000 -119.02085 -114.10381 4.91704 2.51818 -113.32307 880.30516
|
|
5690.0000 -118.65634 -112.86384 5.79250 2.50274 -113.53264 872.29265
|
|
5695.0000 -119.31730 -113.93622 5.38109 2.52448 -113.23754 899.82030
|
|
5700.0000 -119.19577 -113.26875 5.92702 2.46956 -113.98287 848.62832
|
|
5705.0000 -119.61263 -113.37124 6.24139 2.48653 -113.75260 900.82758
|
|
5710.0000 -119.68894 -112.83050 6.85844 2.53656 -113.07363 927.88444
|
|
5715.0000 -118.99641 -112.97683 6.01958 2.55521 -112.82041 913.93257
|
|
5720.0000 -119.98169 -114.06577 5.91592 2.49773 -113.60056 854.76736
|
|
5725.0000 -119.74507 -113.44290 6.30217 2.50173 -113.54635 908.70465
|
|
5730.0000 -119.01156 -112.95806 6.05350 2.52029 -113.29440 913.80861
|
|
5735.0000 -120.29459 -114.20306 6.09153 2.50055 -113.56230 881.02822
|
|
5740.0000 -118.69346 -112.75501 5.93845 2.48437 -113.78197 881.00880
|
|
5745.0000 -117.99255 -113.37995 4.61260 2.54935 -112.90002 909.24791
|
|
5750.0000 -118.47545 -113.05072 5.42474 2.53775 -113.05744 905.76316
|
|
MELTING PROCESS: loop number 24 T-loop= 924.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 924.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.23459 1.70338 2.81471
|
|
force_rgl> df(natom) 1.69029 1.60491 -1.56968
|
|
5755.0000 -118.63830 -112.59943 6.03886 2.58217 -112.45458 962.30965
|
|
5760.0000 -117.64054 -111.96354 5.67700 2.57037 -112.61466 915.18152
|
|
5765.0000 -118.29371 -112.90027 5.39344 2.60926 -112.08691 945.78553
|
|
5770.0000 -119.83426 -114.80092 5.03333 2.48024 -113.83796 858.51673
|
|
5775.0000 -120.24515 -113.53477 6.71038 2.44773 -114.27926 849.49514
|
|
5780.0000 -119.12486 -113.80277 5.32209 2.50569 -113.49254 870.46636
|
|
5785.0000 -119.05832 -113.02689 6.03144 2.52235 -113.26643 916.85329
|
|
5790.0000 -118.09547 -112.35746 5.73801 2.56195 -112.72898 928.35903
|
|
5795.0000 -118.39280 -111.54492 6.84789 2.63423 -111.74797 1009.16552
|
|
5800.0000 -119.11252 -113.41414 5.69838 2.58480 -112.41890 954.41441
|
|
5805.0000 -119.77631 -113.99779 5.77852 2.53667 -113.07204 904.75182
|
|
5810.0000 -116.51290 -111.85144 4.66146 2.56920 -112.63056 910.65928
|
|
5815.0000 -118.00503 -112.08416 5.92087 2.63313 -111.76298 970.86321
|
|
5820.0000 -119.38968 -112.69691 6.69276 2.59567 -112.27131 1004.10223
|
|
5825.0000 -118.87839 -113.40678 5.47161 2.50399 -113.51565 915.46093
|
|
5830.0000 -118.19382 -113.16583 5.02799 2.48508 -113.77231 859.43879
|
|
5835.0000 -119.27691 -113.96268 5.31422 2.45763 -114.14489 816.60459
|
|
5840.0000 -119.17331 -112.48041 6.69289 2.52412 -113.24248 892.48262
|
|
5845.0000 -118.24878 -111.86312 6.38566 2.57274 -112.58254 953.47457
|
|
5850.0000 -118.93376 -112.44205 6.49171 2.57486 -112.55373 959.64051
|
|
5855.0000 -119.63468 -113.14475 6.48993 2.56636 -112.66913 961.07490
|
|
5860.0000 -119.51473 -113.74772 5.76701 2.57474 -112.55541 928.83867
|
|
5865.0000 -119.80118 -113.57635 6.22483 2.52793 -113.19077 912.94375
|
|
5870.0000 -118.90345 -112.59599 6.30746 2.52597 -113.21725 910.72184
|
|
5875.0000 -118.19790 -111.58701 6.61089 2.55699 -112.79625 905.57154
|
|
5880.0000 -119.39402 -113.09618 6.29784 2.59028 -112.34452 951.73851
|
|
5885.0000 -119.64977 -112.68453 6.96524 2.58601 -112.40250 950.57271
|
|
5890.0000 -120.01062 -113.65453 6.35609 2.56903 -112.63288 945.43795
|
|
5895.0000 -118.42646 -111.88310 6.54336 2.53871 -113.04437 906.47583
|
|
5900.0000 -119.38077 -112.78581 6.59496 2.52669 -113.20750 917.92391
|
|
5905.0000 -117.72026 -111.14139 6.57888 2.60452 -112.15116 946.90796
|
|
5910.0000 -118.40530 -111.79049 6.61482 2.70697 -110.76083 1073.84552
|
|
5915.0000 -119.03127 -112.98112 6.05015 2.54412 -112.97101 905.66293
|
|
5920.0000 -120.08508 -113.66663 6.41846 2.48913 -113.71737 921.28127
|
|
5925.0000 -119.58782 -114.01906 5.56876 2.45180 -114.22400 844.98161
|
|
5930.0000 -118.50214 -113.39705 5.10509 2.56322 -112.71178 943.17989
|
|
5935.0000 -120.18419 -114.24985 5.93435 2.56831 -112.64267 946.27210
|
|
5940.0000 -119.47087 -113.09268 6.37819 2.49949 -113.57668 863.77553
|
|
5945.0000 -118.38311 -113.27663 5.10648 2.52015 -113.29635 891.05652
|
|
5950.0000 -118.99267 -113.00238 5.99028 2.49999 -113.56992 877.41215
|
|
5955.0000 -118.89389 -111.74456 7.14933 2.58660 -112.39439 959.00069
|
|
5960.0000 -119.16339 -113.24386 5.91953 2.59442 -112.28826 961.92626
|
|
5965.0000 -118.74424 -112.68690 6.05734 2.53553 -113.08757 911.34407
|
|
5970.0000 -117.84356 -111.22761 6.61596 2.63036 -111.80051 981.86236
|
|
5975.0000 -117.62106 -111.97213 5.64893 2.65390 -111.48098 1002.33901
|
|
5980.0000 -118.20089 -112.15558 6.04531 2.57593 -112.53928 916.22197
|
|
5985.0000 -118.74497 -114.13149 4.61348 2.48888 -113.72076 881.25856
|
|
5990.0000 -118.33994 -111.65975 6.68019 2.55404 -112.83631 919.57499
|
|
5995.0000 -118.56387 -112.49005 6.07381 2.62101 -111.92745 961.12477
|
|
6000.0000 -118.81199 -111.11109 7.70089 2.61555 -112.00151 959.70525
|
|
MELTING PROCESS: loop number 25 T-loop= 949.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 949.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.49867 0.84572 0.91050
|
|
force_rgl> df(natom) 0.60193 -0.29284 1.47746
|
|
6005.0000 -118.49689 -113.10136 5.39553 2.56689 -112.66198 926.47205
|
|
6010.0000 -118.86790 -112.21709 6.65081 2.61876 -111.95797 973.44259
|
|
6015.0000 -119.40206 -112.45099 6.95107 2.59631 -112.26266 958.37465
|
|
6020.0000 -120.94463 -114.37428 6.57035 2.46576 -114.03452 893.01376
|
|
6025.0000 -118.45864 -112.09998 6.35866 2.53425 -113.10497 939.16179
|
|
6030.0000 -119.56542 -113.26110 6.30432 2.55280 -112.85317 933.82998
|
|
6035.0000 -117.55635 -111.20238 6.35397 2.58323 -112.44018 951.12169
|
|
6040.0000 -118.37843 -111.45468 6.92375 2.70407 -110.80015 1038.83653
|
|
6045.0000 -118.75828 -111.50811 7.25017 2.63263 -111.76977 982.41585
|
|
6050.0000 -118.10512 -111.84303 6.26210 2.59911 -112.22470 948.19608
|
|
6055.0000 -119.57249 -112.64255 6.92994 2.56882 -112.63573 937.81857
|
|
6060.0000 -118.76406 -112.47357 6.29049 2.61768 -111.97266 973.52481
|
|
6065.0000 -118.95470 -112.71633 6.23837 2.54039 -113.02162 930.57533
|
|
6070.0000 -118.29318 -111.80488 6.48830 2.53650 -113.07435 896.28570
|
|
6075.0000 -117.64639 -110.93254 6.71385 2.61729 -111.97792 1006.60593
|
|
6080.0000 -118.88897 -112.01811 6.87086 2.64677 -111.57775 979.50226
|
|
6085.0000 -119.20353 -113.57760 5.62593 2.51921 -113.30908 893.36460
|
|
6090.0000 -119.02483 -113.04022 5.98462 2.50186 -113.54448 871.79438
|
|
6095.0000 -119.29881 -113.47942 5.81940 2.49590 -113.62542 846.06665
|
|
6100.0000 -119.78583 -112.24117 7.54467 2.52498 -113.23079 913.08827
|
|
6105.0000 -118.00830 -112.43442 5.57388 2.59777 -112.24277 957.44141
|
|
6110.0000 -118.08172 -111.74710 6.33462 2.66020 -111.39549 1009.00262
|
|
6115.0000 -116.80057 -110.98272 5.81786 2.66388 -111.34557 986.31950
|
|
6120.0000 -117.15886 -109.83472 7.32414 2.74229 -110.28138 999.11429
|
|
6125.0000 -117.66192 -111.48666 6.17526 2.75063 -110.16817 1061.95236
|
|
6130.0000 -119.07099 -113.65636 5.41463 2.60279 -112.17467 956.10334
|
|
6135.0000 -119.68008 -113.85404 5.82604 2.50615 -113.48632 899.09929
|
|
6140.0000 -118.02437 -112.17971 5.84466 2.56206 -112.72746 909.95815
|
|
6145.0000 -119.05408 -112.20447 6.84961 2.58551 -112.40925 934.23378
|
|
6150.0000 -119.60187 -114.95463 4.64724 2.59826 -112.23625 985.71143
|
|
6155.0000 -120.35782 -115.47474 4.88308 2.40793 -114.81937 795.83171
|
|
6160.0000 -119.58981 -114.26625 5.32356 2.43428 -114.46167 836.93399
|
|
6165.0000 -119.32754 -113.13847 6.18907 2.50748 -113.46833 894.77956
|
|
6170.0000 -119.77324 -113.71409 6.05914 2.51477 -113.36928 916.04056
|
|
6175.0000 -119.75437 -113.18656 6.56781 2.52519 -113.22786 918.31304
|
|
6180.0000 -117.31775 -111.43381 5.88394 2.55223 -112.86095 927.38117
|
|
6185.0000 -116.39350 -111.31434 5.07916 2.69893 -110.86990 1052.42725
|
|
6190.0000 -117.41212 -111.39286 6.01926 2.67950 -111.13359 995.80276
|
|
6195.0000 -117.31582 -110.58081 6.73501 2.66449 -111.33725 992.15933
|
|
6200.0000 -116.29853 -110.75658 5.54195 2.66358 -111.34972 988.34159
|
|
6205.0000 -117.99197 -111.66422 6.32776 2.67401 -111.20809 1000.92961
|
|
6210.0000 -119.00881 -112.21863 6.79018 2.61008 -112.07576 984.53620
|
|
6215.0000 -119.22988 -113.26850 5.96138 2.53189 -113.13702 895.50714
|
|
6220.0000 -118.55097 -112.36583 6.18514 2.50448 -113.50895 857.33567
|
|
6225.0000 -116.25324 -110.37299 5.88025 2.58687 -112.39081 914.28206
|
|
6230.0000 -117.38905 -110.63217 6.75687 2.73817 -110.33736 1052.36275
|
|
6235.0000 -118.41390 -112.39276 6.02114 2.60151 -112.19206 949.83257
|
|
6240.0000 -118.26867 -111.50479 6.76388 2.61410 -112.02121 978.38837
|
|
6245.0000 -119.34332 -112.88339 6.45993 2.56419 -112.69859 921.90254
|
|
6250.0000 -118.26712 -111.78454 6.48258 2.58409 -112.42857 967.94002
|
|
MELTING PROCESS: loop number 26 T-loop= 974.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 974.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.08473 -2.94715 -0.26731
|
|
force_rgl> df(natom) -8.19320 -5.38912 -3.83103
|
|
6255.0000 -116.88948 -109.48669 7.40278 2.67489 -111.19611 1015.41859
|
|
6260.0000 -118.43498 -111.44750 6.98748 2.68273 -111.08971 1009.96529
|
|
6265.0000 -118.45357 -112.08974 6.36383 2.59346 -112.30127 976.17194
|
|
6270.0000 -118.28927 -112.72145 5.56781 2.60254 -112.17803 949.76661
|
|
6275.0000 -117.70382 -111.27833 6.42549 2.60197 -112.18577 926.31312
|
|
6280.0000 -117.25051 -110.90105 6.34946 2.67597 -111.18154 1006.11663
|
|
6285.0000 -118.49054 -111.99677 6.49377 2.64250 -111.63573 988.12234
|
|
6290.0000 -119.33643 -113.34694 5.98949 2.57032 -112.61539 900.43211
|
|
6295.0000 -118.87835 -112.77593 6.10242 2.53985 -113.02897 881.60260
|
|
6300.0000 -117.32025 -112.39663 4.92362 2.56465 -112.69241 912.47408
|
|
6305.0000 -119.91798 -113.93164 5.98635 2.52830 -113.18576 904.69594
|
|
6310.0000 -120.32000 -114.43596 5.88405 2.47058 -113.96906 883.30230
|
|
6315.0000 -118.63972 -112.09323 6.54649 2.52403 -113.24358 897.56614
|
|
6320.0000 -117.40748 -110.99222 6.41527 2.70807 -110.74588 1021.65981
|
|
6325.0000 -118.08557 -111.69670 6.38887 2.61993 -111.94207 966.89178
|
|
6330.0000 -118.96271 -111.09049 7.87222 2.61706 -111.98108 986.61737
|
|
6335.0000 -117.89337 -111.04853 6.84484 2.58889 -112.36342 938.53319
|
|
6340.0000 -117.46964 -111.29006 6.17959 2.64111 -111.65457 936.45160
|
|
6345.0000 -118.54343 -111.76022 6.78321 2.67306 -111.22094 992.68253
|
|
6350.0000 -119.29609 -113.27046 6.02563 2.55072 -112.88145 929.92545
|
|
6355.0000 -119.26292 -113.63648 5.62644 2.55856 -112.77497 948.84429
|
|
6360.0000 -119.22701 -112.17957 7.04744 2.54670 -112.93594 926.94945
|
|
6365.0000 -118.37523 -112.79467 5.58056 2.58600 -112.40254 968.64707
|
|
6370.0000 -117.97432 -112.06161 5.91271 2.56282 -112.71719 919.50449
|
|
6375.0000 -117.46687 -110.48778 6.97909 2.72858 -110.46745 1062.98914
|
|
6380.0000 -117.91063 -112.00076 5.90987 2.69669 -110.90034 1018.65083
|
|
6385.0000 -117.23513 -111.60209 5.63304 2.65023 -111.53083 981.45974
|
|
6390.0000 -118.82783 -111.35506 7.47277 2.65934 -111.40725 995.72823
|
|
6395.0000 -115.96115 -108.42275 7.53840 2.72272 -110.54701 1093.95425
|
|
6400.0000 -116.29093 -110.07080 6.22013 2.81594 -109.28178 1173.35074
|
|
6405.0000 -117.93692 -111.07567 6.86125 2.81319 -109.31907 1115.15591
|
|
6410.0000 -117.50854 -111.33244 6.17610 2.64921 -111.54467 989.89532
|
|
6415.0000 -117.21388 -111.01651 6.19737 2.63216 -111.77613 970.46953
|
|
6420.0000 -119.17236 -112.33863 6.83373 2.57373 -112.56907 969.18466
|
|
6425.0000 -118.65130 -112.24572 6.40557 2.59475 -112.28389 938.83374
|
|
6430.0000 -118.40156 -113.09441 5.30715 2.58552 -112.40903 935.44955
|
|
6435.0000 -116.64929 -110.33250 6.31680 2.64584 -111.59038 986.49755
|
|
6440.0000 -116.95609 -110.91214 6.04396 2.74961 -110.18199 1029.16452
|
|
6445.0000 -118.44874 -112.48076 5.96798 2.62508 -111.87219 898.26738
|
|
6450.0000 -119.20352 -113.13651 6.06701 2.63171 -111.78217 970.40329
|
|
6455.0000 -118.71747 -112.43450 6.28298 2.55375 -112.84030 939.12375
|
|
6460.0000 -120.31539 -113.37129 6.94411 2.58088 -112.47212 951.42653
|
|
6465.0000 -118.45902 -112.83919 5.61983 2.51609 -113.35138 872.16803
|
|
6470.0000 -119.40275 -113.70191 5.70083 2.54247 -112.99344 924.93271
|
|
6475.0000 -118.49939 -112.73550 5.76389 2.55392 -112.83798 897.51986
|
|
6480.0000 -118.67778 -112.73121 5.94657 2.57190 -112.59398 962.36983
|
|
6485.0000 -119.07981 -112.12785 6.95197 2.60851 -112.09709 985.71411
|
|
6490.0000 -117.60527 -111.57673 6.02855 2.59499 -112.28051 947.34620
|
|
6495.0000 -117.60710 -111.64178 5.96531 2.62518 -111.87081 953.32514
|
|
6500.0000 -118.84494 -111.96385 6.88109 2.62320 -111.89770 972.20167
|
|
MELTING PROCESS: loop number 27 T-loop= 999.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 999.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.66492 2.89934 -2.53027
|
|
force_rgl> df(natom) 0.67828 0.27364 2.65414
|
|
6505.0000 -117.45615 -110.92619 6.52996 2.67030 -111.25840 1006.96453
|
|
6510.0000 -117.06334 -110.85217 6.21117 2.68869 -111.00882 997.19256
|
|
6515.0000 -116.40172 -110.24145 6.16027 2.72987 -110.44990 1073.53722
|
|
6520.0000 -118.35044 -112.32396 6.02648 2.67980 -111.12952 1029.56857
|
|
6525.0000 -119.46260 -113.10688 6.35572 2.60498 -112.14493 961.69750
|
|
6530.0000 -118.29737 -111.90047 6.39691 2.58809 -112.37419 950.19799
|
|
6535.0000 -118.34054 -112.01483 6.32570 2.70234 -110.82363 1036.56420
|
|
6540.0000 -118.60154 -112.15882 6.44273 2.60894 -112.09119 957.96918
|
|
6545.0000 -116.02032 -110.25147 5.76885 2.63386 -111.75304 999.79891
|
|
6550.0000 -117.30747 -111.93746 5.37002 2.68664 -111.03666 1020.24535
|
|
6555.0000 -116.92524 -110.25739 6.66784 2.72233 -110.55226 1027.51209
|
|
6560.0000 -117.20109 -110.51142 6.68967 2.71631 -110.63405 1041.77973
|
|
6565.0000 -118.10593 -111.53358 6.57235 2.71410 -110.66404 1042.68478
|
|
6570.0000 -117.32131 -108.89108 8.43023 2.70262 -110.81985 1039.04450
|
|
6575.0000 -116.03213 -110.51953 5.51260 2.76314 -109.99847 1087.44880
|
|
6580.0000 -119.32534 -112.40929 6.91605 2.69508 -110.92214 1038.57827
|
|
6585.0000 -118.86205 -113.05121 5.81085 2.60509 -112.14344 974.75139
|
|
6590.0000 -117.96289 -112.04979 5.91309 2.62525 -111.86988 992.35750
|
|
6595.0000 -118.05599 -110.86922 7.18676 2.70285 -110.81670 1018.44965
|
|
6600.0000 -118.55588 -111.78319 6.77269 2.66362 -111.34905 1001.27492
|
|
6605.0000 -119.93202 -113.75536 6.17666 2.57374 -112.56900 935.19617
|
|
6610.0000 -117.92910 -110.55690 7.37221 2.60710 -112.11627 970.31213
|
|
6615.0000 -116.28740 -109.94800 6.33941 2.69494 -110.92398 1071.51107
|
|
6620.0000 -117.35973 -110.94416 6.41557 2.66474 -111.33397 1028.43879
|
|
6625.0000 -119.16757 -113.00079 6.16678 2.61571 -111.99931 982.05465
|
|
6630.0000 -118.63252 -112.59951 6.03301 2.58135 -112.46573 929.24195
|
|
6635.0000 -118.48602 -112.55102 5.93500 2.56346 -112.70843 930.59979
|
|
6640.0000 -119.44220 -112.45178 6.99042 2.57247 -112.58620 965.18943
|
|
6645.0000 -118.22070 -112.73705 5.48365 2.52504 -113.22999 886.06418
|
|
6650.0000 -118.16856 -111.10639 7.06217 2.69360 -110.94220 1019.21568
|
|
6655.0000 -117.93259 -111.76245 6.17014 2.66070 -111.38877 1011.80754
|
|
6660.0000 -118.98480 -112.51090 6.47389 2.60775 -112.10743 983.91777
|
|
6665.0000 -118.86120 -111.16903 7.69217 2.60211 -112.18394 1009.48892
|
|
6670.0000 -118.90444 -112.87156 6.03288 2.59130 -112.33065 926.77096
|
|
6675.0000 -120.63372 -113.94060 6.69313 2.51285 -113.39541 928.34136
|
|
6680.0000 -118.41199 -112.22474 6.18725 2.50425 -113.51209 902.45778
|
|
6685.0000 -119.68181 -112.88547 6.79635 2.61121 -112.06042 971.64414
|
|
6690.0000 -117.17110 -110.88049 6.29061 2.63115 -111.78982 984.30467
|
|
6695.0000 -118.05462 -111.34563 6.70899 2.64313 -111.62722 1013.80245
|
|
6700.0000 -118.09691 -111.30094 6.79597 2.60806 -112.10317 990.08861
|
|
6705.0000 -118.65874 -113.20338 5.45536 2.55034 -112.88662 935.94277
|
|
6710.0000 -118.51897 -112.13939 6.37958 2.60108 -112.19790 966.22236
|
|
6715.0000 -119.20294 -113.50015 5.70278 2.55816 -112.78045 909.93436
|
|
6720.0000 -118.94978 -112.58592 6.36386 2.53447 -113.10196 908.30153
|
|
6725.0000 -119.40347 -112.80615 6.59733 2.55643 -112.80396 933.66526
|
|
6730.0000 -119.14376 -112.60025 6.54351 2.54810 -112.91699 940.26053
|
|
6735.0000 -118.22074 -112.12402 6.09672 2.59057 -112.34054 949.30931
|
|
6740.0000 -118.72914 -111.54815 7.18099 2.63568 -111.72833 1002.94720
|
|
6745.0000 -118.06463 -112.04922 6.01541 2.66381 -111.34653 1003.93695
|
|
6750.0000 -119.01856 -112.06466 6.95390 2.64640 -111.58279 1006.21143
|
|
MELTING PROCESS: loop number 28 T-loop= 1024.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1024.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.82129 2.56985 -0.48467
|
|
force_rgl> df(natom) -0.23933 1.65038 1.07867
|
|
6755.0000 -118.72558 -111.28541 7.44017 2.67009 -111.26132 1027.48206
|
|
6760.0000 -116.27515 -109.89027 6.38488 2.69624 -110.90644 1044.33019
|
|
6765.0000 -117.35513 -110.06908 7.28605 2.79224 -109.60344 1109.30675
|
|
6770.0000 -116.42268 -109.17809 7.24460 2.74221 -110.28242 1062.68573
|
|
6775.0000 -117.82977 -111.20738 6.62239 2.78270 -109.73295 1087.15397
|
|
6780.0000 -118.22025 -112.07313 6.14712 2.62132 -111.92315 985.72814
|
|
6785.0000 -117.69789 -112.47936 5.21853 2.64353 -111.62183 969.49529
|
|
6790.0000 -117.74215 -111.61743 6.12472 2.61956 -111.94706 973.84234
|
|
6795.0000 -119.04558 -113.60517 5.44041 2.65012 -111.53239 1003.86745
|
|
6800.0000 -118.56665 -112.34869 6.21796 2.56935 -112.62859 933.74134
|
|
6805.0000 -119.24958 -111.70489 7.54469 2.58377 -112.43279 944.99348
|
|
6810.0000 -118.54247 -111.67593 6.86654 2.57480 -112.55460 941.30501
|
|
6815.0000 -118.00544 -111.85840 6.14704 2.56849 -112.64029 917.35265
|
|
6820.0000 -118.39459 -111.67137 6.72322 2.60250 -112.17862 926.69204
|
|
6825.0000 -116.64108 -110.16048 6.48060 2.66551 -111.32340 993.61551
|
|
6830.0000 -118.10403 -111.29973 6.80430 2.72385 -110.53167 1017.42542
|
|
6835.0000 -116.82253 -108.88224 7.94028 2.74565 -110.23575 1087.72806
|
|
6840.0000 -114.98656 -107.26956 7.71700 2.90373 -108.09028 1187.52687
|
|
6845.0000 -117.24422 -108.00099 9.24323 2.91520 -107.93471 1188.68222
|
|
6850.0000 -115.37715 -108.13774 7.23942 2.86509 -108.61476 1159.24352
|
|
6855.0000 -115.64361 -108.62736 7.01625 2.90646 -108.05324 1164.01971
|
|
6860.0000 -117.96078 -110.87074 7.09004 2.73581 -110.36931 993.82339
|
|
6865.0000 -118.32221 -111.16266 7.15955 2.64186 -111.64451 935.75670
|
|
6870.0000 -118.21464 -111.20555 7.00909 2.66239 -111.36581 1002.98465
|
|
6875.0000 -116.76088 -109.48309 7.27779 2.73414 -110.39198 1077.63145
|
|
6880.0000 -116.76144 -108.71508 8.04636 2.86621 -108.59955 1175.88485
|
|
6885.0000 -118.10298 -111.07543 7.02755 2.71898 -110.59774 1022.47776
|
|
6890.0000 -117.75804 -111.44417 6.31387 2.67730 -111.16344 1059.81988
|
|
6895.0000 -117.40433 -109.20908 8.19525 2.74007 -110.31147 1087.45671
|
|
6900.0000 -118.32438 -111.20725 7.11713 2.77534 -109.83283 1091.44499
|
|
6905.0000 -116.66535 -110.44131 6.22404 2.69052 -110.98397 1056.66857
|
|
6910.0000 -117.64465 -111.77366 5.87098 2.69759 -110.88804 1047.77888
|
|
6915.0000 -116.75955 -110.86641 5.89314 2.66969 -111.26677 1042.70188
|
|
6920.0000 -118.88949 -112.08852 6.80097 2.68476 -111.06225 1025.71866
|
|
6925.0000 -116.77243 -109.69372 7.07870 2.66482 -111.33277 1012.21874
|
|
6930.0000 -116.43132 -109.51113 6.92020 2.76502 -109.97291 1056.48321
|
|
6935.0000 -116.89381 -110.37090 6.52291 2.71620 -110.63555 1046.20334
|
|
6940.0000 -116.09720 -109.65922 6.43798 2.71097 -110.70651 1062.56932
|
|
6945.0000 -117.53604 -109.94095 7.59510 2.75096 -110.16371 1061.45949
|
|
6950.0000 -116.55742 -109.51415 7.04327 2.73289 -110.40904 1091.18869
|
|
6955.0000 -116.02310 -108.40445 7.61865 2.89869 -108.15871 1192.96673
|
|
6960.0000 -116.80496 -109.47680 7.32815 2.83727 -108.99238 1140.99722
|
|
6965.0000 -117.14220 -109.88575 7.25645 2.78360 -109.72077 1103.75598
|
|
6970.0000 -117.54157 -111.88098 5.66058 2.71073 -110.70971 1059.90940
|
|
6975.0000 -119.06208 -113.21466 5.84742 2.55634 -112.80508 943.82027
|
|
6980.0000 -117.46500 -111.39534 6.06966 2.64537 -111.59675 1030.57852
|
|
6985.0000 -118.06584 -111.67886 6.38699 2.64198 -111.64278 989.67372
|
|
6990.0000 -116.85271 -110.88433 5.96838 2.72545 -110.50999 1044.14322
|
|
6995.0000 -117.12561 -111.45668 5.66893 2.65523 -111.46295 1005.65316
|
|
7000.0000 -117.72498 -110.99205 6.73293 2.62222 -111.91106 973.45203
|
|
MELTING PROCESS: loop number 29 T-loop= 1049.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1049.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.44713 0.40000 -0.03253
|
|
force_rgl> df(natom) -2.54666 -0.86499 2.05595
|
|
7005.0000 -117.26528 -111.00994 6.25535 2.72037 -110.57895 1017.89708
|
|
7010.0000 -117.96042 -111.41834 6.54208 2.73561 -110.37206 1068.87692
|
|
7015.0000 -118.81182 -111.83012 6.98170 2.70704 -110.75977 1055.38297
|
|
7020.0000 -117.35444 -110.09803 7.25641 2.63859 -111.68883 971.97605
|
|
7025.0000 -118.21700 -110.56290 7.65409 2.73644 -110.36082 1030.32116
|
|
7030.0000 -117.00763 -110.11682 6.89081 2.74895 -110.19102 1070.63292
|
|
7035.0000 -118.35380 -110.74783 7.60597 2.74995 -110.17743 1042.87641
|
|
7040.0000 -118.14414 -112.39409 5.75005 2.68492 -111.06007 1006.65318
|
|
7045.0000 -118.39847 -111.74780 6.65067 2.61488 -112.01060 963.87280
|
|
7050.0000 -118.83694 -111.00730 7.82964 2.66466 -111.33495 1005.49152
|
|
7055.0000 -116.84668 -110.83189 6.01479 2.70432 -110.79671 972.68444
|
|
7060.0000 -116.21721 -111.35504 4.86217 2.71778 -110.61411 1047.53854
|
|
7065.0000 -116.42905 -111.23509 5.19396 2.64855 -111.55371 1004.15118
|
|
7070.0000 -116.85019 -110.27759 6.57260 2.78574 -109.69165 1110.84305
|
|
7075.0000 -118.06054 -111.41779 6.64275 2.72874 -110.46525 1058.83626
|
|
7080.0000 -117.50294 -111.39771 6.10523 2.65392 -111.48071 986.96365
|
|
7085.0000 -117.50375 -110.07166 7.43209 2.71290 -110.68031 1068.23434
|
|
7090.0000 -116.80871 -110.51608 6.29263 2.72764 -110.48029 1089.73655
|
|
7095.0000 -117.80760 -110.67998 7.12763 2.69633 -110.90510 1052.25428
|
|
7100.0000 -117.88321 -110.11821 7.76500 2.72240 -110.55134 1026.02450
|
|
7105.0000 -117.26940 -109.66670 7.60271 2.80177 -109.47407 1074.49279
|
|
7110.0000 -114.67481 -108.18441 6.49041 2.85887 -108.69915 1146.35105
|
|
7115.0000 -116.95385 -109.46285 7.49101 2.91000 -108.00522 1174.18314
|
|
7120.0000 -119.59548 -113.79954 5.79594 2.66261 -111.36287 1044.56600
|
|
7125.0000 -117.71683 -110.80025 6.91658 2.63064 -111.79673 987.70024
|
|
7130.0000 -118.82808 -111.08095 7.74713 2.68979 -110.99390 1033.78388
|
|
7135.0000 -117.34642 -110.66371 6.68271 2.66249 -111.36447 994.18026
|
|
7140.0000 -119.25090 -111.93593 7.31496 2.72804 -110.47481 1096.04485
|
|
7145.0000 -118.63839 -111.92682 6.71157 2.64782 -111.56360 995.31349
|
|
7150.0000 -118.55629 -112.58157 5.97472 2.57692 -112.52578 927.58489
|
|
7155.0000 -116.85780 -111.32165 5.53616 2.57296 -112.57962 967.58757
|
|
7160.0000 -116.47921 -110.95500 5.52422 2.68135 -111.10843 1009.47171
|
|
7165.0000 -118.73662 -111.18053 7.55609 2.66359 -111.34959 1026.36503
|
|
7170.0000 -116.33024 -111.38548 4.94475 2.71227 -110.68889 1082.93459
|
|
7175.0000 -116.78043 -110.13050 6.64992 2.69142 -110.97187 1011.26927
|
|
7180.0000 -116.64013 -109.88553 6.75459 2.79394 -109.58042 1051.51977
|
|
7185.0000 -116.71438 -109.80862 6.90576 2.79713 -109.53714 1100.77020
|
|
7190.0000 -118.22570 -111.55343 6.67226 2.70480 -110.79022 1009.76893
|
|
7195.0000 -117.87343 -111.85189 6.02154 2.63499 -111.73762 994.73639
|
|
7200.0000 -117.55189 -111.35257 6.19932 2.67198 -111.23561 1025.15589
|
|
7205.0000 -118.28245 -111.44142 6.84103 2.63714 -111.70851 979.11516
|
|
7210.0000 -117.34855 -109.60218 7.74637 2.75488 -110.11058 1110.53767
|
|
7215.0000 -116.89861 -109.93665 6.96197 2.75892 -110.05566 1043.65925
|
|
7220.0000 -116.65677 -110.63510 6.02167 2.76657 -109.95187 1103.26278
|
|
7225.0000 -118.49192 -110.48635 8.00557 2.72576 -110.50579 1067.06958
|
|
7230.0000 -117.66399 -110.55535 7.10864 2.79977 -109.50134 1070.87924
|
|
7235.0000 -117.77240 -111.49807 6.27433 2.69959 -110.86098 1025.28946
|
|
7240.0000 -117.78931 -111.83225 5.95706 2.64641 -111.58266 966.98305
|
|
7245.0000 -118.84307 -112.33214 6.51094 2.60563 -112.13623 984.96628
|
|
7250.0000 -116.53952 -109.51777 7.02175 2.69385 -110.93886 1023.45515
|
|
MELTING PROCESS: loop number 30 T-loop= 1074.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1074.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.70120 2.44420 -3.33526
|
|
force_rgl> df(natom) 0.54998 -0.07759 -0.10140
|
|
7255.0000 -116.44382 -111.02820 5.41561 2.76521 -109.97031 1059.39156
|
|
7260.0000 -119.24214 -111.57247 7.66967 2.70030 -110.85131 1028.88950
|
|
7265.0000 -117.93338 -109.24055 8.69283 2.70256 -110.82059 1057.31242
|
|
7270.0000 -117.46889 -110.99040 6.47849 2.78988 -109.63546 1118.63111
|
|
7275.0000 -118.24411 -111.72808 6.51603 2.62383 -111.88918 994.86478
|
|
7280.0000 -117.82558 -111.72396 6.10162 2.63657 -111.71618 958.87565
|
|
7285.0000 -116.95130 -111.39227 5.55903 2.67255 -111.22788 1020.78646
|
|
7290.0000 -115.88802 -108.68289 7.20513 2.73425 -110.39058 1054.10629
|
|
7295.0000 -117.61582 -109.37210 8.24372 2.85923 -108.69427 1155.21847
|
|
7300.0000 -117.02000 -110.47174 6.54825 2.77073 -109.89535 1074.44033
|
|
7305.0000 -116.65161 -110.69825 5.95335 2.79273 -109.59687 1091.56356
|
|
7310.0000 -119.03145 -112.52980 6.50165 2.69638 -110.90453 1075.19288
|
|
7315.0000 -117.22443 -110.28204 6.94239 2.68465 -111.06374 1050.49941
|
|
7320.0000 -117.03799 -110.48566 6.55233 2.75169 -110.15383 1044.68543
|
|
7325.0000 -114.87587 -108.37827 6.49761 2.77732 -109.80593 1039.29922
|
|
7330.0000 -117.14263 -110.94659 6.19604 2.76155 -110.02005 1082.28098
|
|
7335.0000 -115.32390 -108.36439 6.95952 2.81435 -109.30341 1126.86350
|
|
7340.0000 -116.84068 -111.54397 5.29671 2.80138 -109.47944 1116.26693
|
|
7345.0000 -117.35292 -110.82179 6.53114 2.65497 -111.46645 1001.04997
|
|
7350.0000 -117.72456 -110.07863 7.64593 2.73837 -110.33458 1039.54699
|
|
7355.0000 -116.54813 -108.94720 7.60093 2.79100 -109.62034 1071.35392
|
|
7360.0000 -115.77556 -110.04944 5.72611 2.86929 -108.55770 1152.63679
|
|
7365.0000 -117.02819 -110.84831 6.17988 2.79926 -109.50823 1115.81553
|
|
7370.0000 -118.53904 -111.60627 6.93276 2.73116 -110.43244 1053.68951
|
|
7375.0000 -117.95411 -111.94291 6.01120 2.64351 -111.62201 991.08785
|
|
7380.0000 -118.36794 -111.99475 6.37319 2.58052 -112.47692 927.89476
|
|
7385.0000 -118.42188 -112.26513 6.15675 2.61973 -111.94479 1008.96594
|
|
7390.0000 -117.89106 -111.70737 6.18369 2.67334 -111.21719 1057.43157
|
|
7395.0000 -116.92508 -110.07619 6.84889 2.69216 -110.96174 1021.68970
|
|
7400.0000 -115.96884 -110.52333 5.44551 2.76042 -110.03534 1075.40916
|
|
7405.0000 -116.50242 -110.50352 5.99890 2.78530 -109.69771 1140.07562
|
|
7410.0000 -116.25116 -109.12532 7.12584 2.70814 -110.74484 1049.99762
|
|
7415.0000 -118.51511 -112.05170 6.46341 2.72048 -110.57741 1055.21138
|
|
7420.0000 -115.44851 -110.63838 4.81013 2.73293 -110.40848 1028.56550
|
|
7425.0000 -116.85458 -110.07061 6.78396 2.71628 -110.63446 1033.26338
|
|
7430.0000 -116.93317 -110.72568 6.20749 2.73843 -110.33385 1035.77788
|
|
7435.0000 -115.38534 -108.04742 7.33793 2.78010 -109.76821 1040.16772
|
|
7440.0000 -116.84442 -108.62699 8.21742 2.86434 -108.62487 1186.46133
|
|
7445.0000 -116.70335 -110.19297 6.51038 2.80041 -109.49260 1118.32750
|
|
7450.0000 -116.21956 -110.21302 6.00654 2.72814 -110.47341 1036.24427
|
|
7455.0000 -116.16974 -110.15504 6.01470 2.72421 -110.52684 1045.77787
|
|
7460.0000 -117.07351 -109.86262 7.21089 2.78395 -109.71600 1083.24142
|
|
7465.0000 -117.16876 -109.60498 7.56377 2.77668 -109.81464 1092.19071
|
|
7470.0000 -115.56644 -108.79573 6.77071 2.81544 -109.28863 1138.17862
|
|
7475.0000 -118.26934 -111.77642 6.49292 2.69668 -110.90043 1019.54228
|
|
7480.0000 -117.87666 -111.65192 6.22474 2.64422 -111.61242 997.95038
|
|
7485.0000 -115.66489 -108.87817 6.78672 2.68346 -111.07985 1049.62752
|
|
7490.0000 -116.37066 -110.21785 6.15281 2.79761 -109.53066 1100.96529
|
|
7495.0000 -118.23990 -109.98316 8.25675 2.79071 -109.62419 1023.23067
|
|
7500.0000 -117.69159 -111.08619 6.60540 2.69652 -110.90258 1000.18615
|
|
MELTING PROCESS: loop number 31 T-loop= 1099.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1099.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.43760 0.39395 -2.65251
|
|
force_rgl> df(natom) -0.94729 0.53954 -0.32160
|
|
7505.0000 -117.77492 -110.38615 7.38877 2.71861 -110.60277 1021.47014
|
|
7510.0000 -117.13046 -111.44882 5.68164 2.61438 -112.01743 968.74723
|
|
7515.0000 -117.84958 -111.55510 6.29448 2.71905 -110.59682 1019.21042
|
|
7520.0000 -119.50586 -111.89675 7.60911 2.66625 -111.31345 1037.50235
|
|
7525.0000 -118.48829 -111.37217 7.11611 2.67383 -111.21050 1034.25597
|
|
7530.0000 -117.53348 -108.66879 8.86469 2.76555 -109.96570 1090.13797
|
|
7535.0000 -116.21959 -109.94346 6.27613 2.80420 -109.44117 1141.52903
|
|
7540.0000 -117.09560 -110.43820 6.65740 2.72737 -110.48393 1081.93991
|
|
7545.0000 -115.00781 -107.73820 7.26961 2.82839 -109.11290 1106.81220
|
|
7550.0000 -115.46100 -109.00543 6.45557 2.89331 -108.23173 1153.64846
|
|
7555.0000 -118.52819 -110.98514 7.54306 2.68146 -111.10692 1004.82674
|
|
7560.0000 -117.79699 -109.65320 8.14380 2.79254 -109.59940 1103.64514
|
|
7565.0000 -116.77565 -112.47189 4.30377 2.68760 -111.02359 1022.18068
|
|
7570.0000 -117.05531 -109.90805 7.14726 2.67397 -111.20869 1040.48022
|
|
7575.0000 -118.44341 -110.39833 8.04508 2.73518 -110.37793 1051.42702
|
|
7580.0000 -118.23707 -111.12395 7.11313 2.67382 -111.21063 1014.37673
|
|
7585.0000 -117.57420 -112.32004 5.25416 2.60050 -112.20575 939.90400
|
|
7590.0000 -117.31978 -110.55599 6.76379 2.57108 -112.60514 930.98779
|
|
7595.0000 -117.29958 -110.57709 6.72249 2.78013 -109.76786 1099.54861
|
|
7600.0000 -119.34500 -112.49977 6.84522 2.67214 -111.23345 999.02793
|
|
7605.0000 -117.70182 -111.55358 6.14824 2.60132 -112.19468 949.29090
|
|
7610.0000 -117.17347 -110.58335 6.59012 2.69194 -110.96481 1025.77589
|
|
7615.0000 -118.33705 -111.06716 7.26989 2.72705 -110.48823 1064.98218
|
|
7620.0000 -117.99283 -111.37928 6.61354 2.67954 -111.13305 1034.72474
|
|
7625.0000 -116.76441 -110.05064 6.71377 2.71566 -110.64280 1025.79138
|
|
7630.0000 -117.14572 -109.67355 7.47216 2.81906 -109.23954 1143.00150
|
|
7635.0000 -117.47936 -110.08824 7.39112 2.78529 -109.69782 1113.40831
|
|
7640.0000 -114.53369 -107.44550 7.08819 2.82871 -109.10851 1159.55011
|
|
7645.0000 -115.89600 -107.91745 7.97854 3.00664 -106.69356 1253.31510
|
|
7650.0000 -117.65242 -108.91007 8.74235 2.92134 -107.85138 1194.24459
|
|
7655.0000 -116.09089 -110.12252 5.96837 2.87369 -108.49806 1155.89634
|
|
7660.0000 -115.03012 -106.95042 8.07969 2.89068 -108.26750 1184.34021
|
|
7665.0000 -116.01777 -107.66557 8.35220 2.92910 -107.74603 1206.05002
|
|
7670.0000 -118.26404 -112.12979 6.13425 2.79047 -109.62751 1109.19982
|
|
7675.0000 -115.44072 -110.28298 5.15774 2.64931 -111.54339 961.06657
|
|
7680.0000 -118.75811 -109.79123 8.96688 2.76011 -110.03951 1060.35324
|
|
7685.0000 -118.05497 -110.10901 7.94596 2.72824 -110.47208 1077.39928
|
|
7690.0000 -117.20405 -108.04241 9.16164 2.78912 -109.64588 1097.88002
|
|
7695.0000 -114.82847 -109.46116 5.36731 2.87531 -108.47598 1200.67125
|
|
7700.0000 -116.01331 -109.16181 6.85150 2.80719 -109.40060 1139.63398
|
|
7705.0000 -116.78037 -109.99050 6.78988 2.77056 -109.89778 1104.11362
|
|
7710.0000 -115.57784 -108.98550 6.59234 2.80260 -109.46282 1115.42086
|
|
7715.0000 -116.14351 -108.79579 7.34773 2.91433 -107.94645 1169.27690
|
|
7720.0000 -116.16515 -108.30391 7.86124 2.84137 -108.93662 1122.78587
|
|
7725.0000 -115.77006 -108.21091 7.55916 2.85463 -108.75667 1140.77177
|
|
7730.0000 -116.50789 -109.30471 7.20319 2.87695 -108.45379 1193.63820
|
|
7735.0000 -116.25144 -108.29677 7.95468 2.84333 -108.91008 1139.52802
|
|
7740.0000 -116.61081 -110.51190 6.09890 2.77001 -109.90515 1086.76271
|
|
7745.0000 -117.57123 -109.83910 7.73213 2.73552 -110.37322 1047.08765
|
|
7750.0000 -115.31631 -108.09687 7.21944 2.84571 -108.87772 1154.21444
|
|
MELTING PROCESS: loop number 32 T-loop= 1124.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1124.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.02757 -2.64880 -1.16611
|
|
force_rgl> df(natom) 0.62642 -1.15153 1.01228
|
|
7755.0000 -117.03182 -109.08455 7.94727 2.91009 -108.00396 1194.68094
|
|
7760.0000 -118.56452 -111.76698 6.79754 2.74702 -110.21723 1095.44918
|
|
7765.0000 -118.23376 -111.63141 6.60235 2.62796 -111.83308 1001.10951
|
|
7770.0000 -115.22803 -109.71838 5.50965 2.71362 -110.67052 1023.04816
|
|
7775.0000 -116.22820 -109.06532 7.16288 2.78021 -109.76681 1082.67932
|
|
7780.0000 -117.73243 -111.62611 6.10633 2.76775 -109.93580 1088.83261
|
|
7785.0000 -116.58497 -110.40782 6.17715 2.68403 -111.07215 1009.62822
|
|
7790.0000 -118.16623 -110.00404 8.16218 2.74130 -110.29484 1077.63061
|
|
7795.0000 -115.82556 -108.51644 7.30911 2.78344 -109.72289 1091.98640
|
|
7800.0000 -117.00342 -108.90926 8.09416 2.82882 -109.10706 1116.41527
|
|
7805.0000 -116.58107 -108.18406 8.39701 2.89054 -108.26931 1211.55302
|
|
7810.0000 -116.48903 -109.00975 7.47928 2.83385 -109.03871 1121.01129
|
|
7815.0000 -115.85731 -109.38063 6.47667 2.86393 -108.63047 1163.43946
|
|
7820.0000 -117.58666 -110.79224 6.79442 2.75431 -110.11820 1037.45175
|
|
7825.0000 -116.82743 -109.90318 6.92425 2.75197 -110.15005 1070.00637
|
|
7830.0000 -117.40992 -110.35253 7.05739 2.79490 -109.56733 1141.56305
|
|
7835.0000 -117.37642 -110.22034 7.15608 2.81878 -109.24330 1138.72091
|
|
7840.0000 -119.38964 -113.36070 6.02894 2.66640 -111.31137 1009.72106
|
|
7845.0000 -117.43585 -110.75376 6.68209 2.59182 -112.32359 993.71994
|
|
7850.0000 -116.27702 -110.75774 5.51928 2.77378 -109.85399 1062.25247
|
|
7855.0000 -116.06476 -109.60966 6.45510 2.80297 -109.45786 1132.59698
|
|
7860.0000 -118.89719 -112.67007 6.22712 2.67852 -111.14691 1022.96115
|
|
7865.0000 -117.49886 -109.85051 7.64836 2.66302 -111.35728 1027.29259
|
|
7870.0000 -115.98810 -108.22158 7.76652 2.87061 -108.53977 1154.67192
|
|
7875.0000 -117.33495 -110.07264 7.26231 2.81570 -109.28513 1122.19037
|
|
7880.0000 -116.22646 -107.40710 8.81937 2.89548 -108.20233 1182.10660
|
|
7885.0000 -117.06620 -109.15276 7.91344 2.90436 -108.08173 1174.93811
|
|
7890.0000 -117.81947 -111.15805 6.66142 2.84484 -108.88961 1139.88063
|
|
7895.0000 -116.57402 -109.25654 7.31748 2.76130 -110.02341 1109.08523
|
|
7900.0000 -117.38807 -110.55926 6.82881 2.77210 -109.87685 1096.01080
|
|
7905.0000 -115.80454 -108.14984 7.65471 2.78506 -109.70094 1085.12782
|
|
7910.0000 -116.77515 -108.58473 8.19042 2.85902 -108.69708 1171.35735
|
|
7915.0000 -117.39874 -110.55137 6.84737 2.84508 -108.88630 1145.81188
|
|
7920.0000 -117.10468 -111.49714 5.60754 2.64362 -111.62059 991.56660
|
|
7925.0000 -116.84471 -108.71106 8.13365 2.75594 -110.09610 1053.25745
|
|
7930.0000 -114.83361 -108.49396 6.33965 2.88687 -108.31920 1164.63387
|
|
7935.0000 -116.40392 -110.68056 5.72335 2.80340 -109.45204 1092.28951
|
|
7940.0000 -117.56016 -111.41653 6.14363 2.71679 -110.62755 1047.72938
|
|
7945.0000 -117.45936 -110.59498 6.86437 2.65105 -111.51969 1009.00373
|
|
7950.0000 -117.37997 -110.38272 6.99725 2.69675 -110.89942 1040.80198
|
|
7955.0000 -115.74617 -108.62704 7.11913 2.81625 -109.27760 1121.73915
|
|
7960.0000 -118.22643 -110.83592 7.39052 2.82985 -109.09309 1149.81325
|
|
7965.0000 -117.39825 -109.60201 7.79623 2.79751 -109.53190 1119.17573
|
|
7970.0000 -116.65391 -110.16265 6.49125 2.76999 -109.90542 1109.75823
|
|
7975.0000 -118.63193 -111.77305 6.85888 2.71667 -110.62906 1026.98512
|
|
7980.0000 -118.43343 -111.43023 7.00320 2.67180 -111.23806 1000.33221
|
|
7985.0000 -116.83034 -108.52044 8.30989 2.77122 -109.88874 1098.80120
|
|
7990.0000 -115.55650 -108.64646 6.91004 2.90810 -108.03097 1238.96449
|
|
7995.0000 -118.04696 -110.25491 7.79205 2.74083 -110.30127 1058.14774
|
|
8000.0000 -115.77706 -109.82722 5.94984 2.76535 -109.96848 1117.66540
|
|
MELTING PROCESS: loop number 33 T-loop= 1149.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1149.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.52267 -1.39334 -2.37395
|
|
force_rgl> df(natom) -1.49239 0.60809 -0.26963
|
|
8005.0000 -115.47500 -109.09651 6.37849 2.84477 -108.89049 1121.08875
|
|
8010.0000 -114.90224 -107.02509 7.87715 2.87382 -108.49624 1200.40086
|
|
8015.0000 -114.20090 -107.37393 6.82697 2.89552 -108.20175 1173.62968
|
|
8020.0000 -115.78268 -107.97422 7.80846 2.91143 -107.98584 1176.89962
|
|
8025.0000 -115.87098 -108.26238 7.60860 2.88958 -108.28234 1209.39433
|
|
8030.0000 -116.06656 -109.88396 6.18260 2.87435 -108.48901 1168.80749
|
|
8035.0000 -117.19983 -108.50690 8.69293 2.85377 -108.76840 1142.53882
|
|
8040.0000 -116.93218 -109.50153 7.43065 2.80143 -109.47874 1098.21015
|
|
8045.0000 -116.49088 -108.76774 7.72315 2.80886 -109.37788 1117.80460
|
|
8050.0000 -116.13121 -109.74543 6.38577 2.85632 -108.73378 1151.01995
|
|
8055.0000 -116.52208 -109.30574 7.21635 2.78046 -109.76339 1056.81510
|
|
8060.0000 -115.25966 -109.31077 5.94889 2.84162 -108.93335 1133.18900
|
|
8065.0000 -118.36849 -111.10670 7.26178 2.68777 -111.02141 1032.47804
|
|
8070.0000 -117.54720 -109.16207 8.38513 2.73224 -110.41780 1104.75127
|
|
8075.0000 -115.99956 -107.89402 8.10554 2.81684 -109.26955 1096.25376
|
|
8080.0000 -115.35217 -106.20431 9.14786 3.04108 -106.22626 1240.34024
|
|
8085.0000 -115.92165 -106.01483 9.90682 3.01830 -106.53536 1267.20643
|
|
8090.0000 -116.59934 -108.18075 8.41860 2.94848 -107.48302 1252.19163
|
|
8095.0000 -115.87695 -107.96576 7.91119 2.91667 -107.91465 1192.52487
|
|
8100.0000 -117.43636 -109.97473 7.46163 2.83260 -109.05568 1100.91352
|
|
8105.0000 -113.77552 -105.91481 7.86071 2.87996 -108.41298 1157.88017
|
|
8110.0000 -116.58113 -106.92688 9.65425 3.04409 -106.18528 1293.26635
|
|
8115.0000 -116.42347 -107.81509 8.60838 2.98733 -106.95575 1291.56110
|
|
8120.0000 -116.48001 -107.88521 8.59480 2.89467 -108.21331 1169.67010
|
|
8125.0000 -116.98527 -109.96792 7.01736 2.79366 -109.58417 1112.35178
|
|
8130.0000 -115.67525 -109.19217 6.48307 2.79829 -109.52138 1123.25504
|
|
8135.0000 -115.60624 -110.12172 5.48452 2.83815 -108.98043 1083.11888
|
|
8140.0000 -116.05308 -109.15925 6.89384 2.82498 -109.15906 1088.84032
|
|
8145.0000 -117.37971 -109.78876 7.59095 2.78974 -109.63742 1135.49725
|
|
8150.0000 -115.58005 -108.21397 7.36608 2.81901 -109.24017 1084.26441
|
|
8155.0000 -116.76336 -109.60154 7.16182 2.86015 -108.68181 1140.33999
|
|
8160.0000 -116.82586 -109.72881 7.09705 2.78808 -109.65999 1069.24684
|
|
8165.0000 -115.51656 -108.27980 7.23676 2.79716 -109.53671 1108.66036
|
|
8170.0000 -117.75261 -110.42061 7.33200 2.78834 -109.65635 1107.90055
|
|
8175.0000 -119.28338 -111.14336 8.14003 2.71471 -110.65566 1037.72109
|
|
8180.0000 -116.45845 -108.73521 7.72324 2.70108 -110.84071 1050.93199
|
|
8185.0000 -117.72140 -110.78565 6.93575 2.78622 -109.68517 1109.59262
|
|
8190.0000 -116.43340 -108.61008 7.82333 2.72554 -110.50867 1059.60520
|
|
8195.0000 -116.42635 -108.20716 8.21919 2.80051 -109.49118 1109.45983
|
|
8200.0000 -115.41653 -108.31290 7.10363 2.84469 -108.89158 1161.44442
|
|
8205.0000 -117.46193 -109.67689 7.78504 2.79568 -109.55675 1103.12457
|
|
8210.0000 -115.87941 -108.58546 7.29394 2.85484 -108.75384 1216.81521
|
|
8215.0000 -117.98750 -110.29257 7.69494 2.81819 -109.25125 1129.00121
|
|
8220.0000 -115.30888 -108.82515 6.48373 2.83261 -109.05562 1125.99455
|
|
8225.0000 -114.82915 -107.75398 7.07517 2.94198 -107.57124 1203.78263
|
|
8230.0000 -113.89554 -106.55716 7.33838 2.95356 -107.41398 1191.52469
|
|
8235.0000 -114.58014 -106.97952 7.60062 3.01388 -106.59540 1305.24253
|
|
8240.0000 -115.22822 -106.93240 8.29582 3.04453 -106.17932 1311.54864
|
|
8245.0000 -115.29353 -108.91443 6.37910 2.87289 -108.50890 1199.97540
|
|
8250.0000 -115.80238 -109.88393 5.91845 2.77373 -109.85467 1061.66274
|
|
MELTING PROCESS: loop number 34 T-loop= 1174.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1174.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.06457 -1.46549 0.63298
|
|
force_rgl> df(natom) -2.75200 -3.57361 0.25036
|
|
8255.0000 -115.56265 -107.38474 8.17791 2.87638 -108.46149 1103.19909
|
|
8260.0000 -115.36745 -106.85458 8.51287 3.00578 -106.70531 1257.02278
|
|
8265.0000 -117.27714 -109.53628 7.74086 2.92093 -107.85682 1149.20184
|
|
8270.0000 -114.46043 -106.88422 7.57620 2.96930 -107.20035 1233.39322
|
|
8275.0000 -114.39459 -106.44284 7.95175 3.05233 -106.07354 1264.86866
|
|
8280.0000 -116.53285 -106.89114 9.64171 3.01261 -106.61256 1232.19254
|
|
8285.0000 -115.86095 -106.32794 9.53301 3.02163 -106.49021 1252.92083
|
|
8290.0000 -114.06594 -106.74999 7.31596 3.00568 -106.70670 1262.70976
|
|
8295.0000 -115.00057 -108.68891 6.31167 2.92175 -107.84570 1195.69850
|
|
8300.0000 -116.55767 -108.58074 7.97693 2.88964 -108.28153 1193.95436
|
|
8305.0000 -114.62255 -105.85955 8.76299 2.97959 -107.06074 1250.99792
|
|
8310.0000 -115.47093 -109.57789 5.89304 2.93584 -107.65455 1212.09395
|
|
8315.0000 -116.88453 -108.60287 8.28166 2.75037 -110.17174 1075.90469
|
|
8320.0000 -117.45223 -109.92475 7.52748 2.87374 -108.49730 1179.29698
|
|
8325.0000 -115.36059 -108.21779 7.14280 2.81564 -109.28589 1123.58333
|
|
8330.0000 -116.44810 -110.51030 5.93780 2.80325 -109.45398 1097.67901
|
|
8335.0000 -115.12894 -108.15588 6.97306 2.89987 -108.14265 1147.77831
|
|
8340.0000 -114.71288 -106.04137 8.67151 2.96252 -107.29236 1206.45187
|
|
8345.0000 -114.89205 -107.12874 7.76331 3.05064 -106.09648 1236.44966
|
|
8350.0000 -115.59068 -106.30934 9.28134 2.99382 -106.86755 1285.79571
|
|
8355.0000 -114.07833 -107.97028 6.10805 2.91423 -107.94780 1200.12847
|
|
8360.0000 -117.56631 -111.75266 5.81364 2.76527 -109.96955 1091.04463
|
|
8365.0000 -114.62769 -107.35762 7.27007 2.85993 -108.68476 1172.34094
|
|
8370.0000 -115.93400 -108.25344 7.68056 2.89127 -108.25939 1180.76057
|
|
8375.0000 -115.23048 -107.58955 7.64093 2.92251 -107.83540 1183.88306
|
|
8380.0000 -117.33516 -109.44517 7.88999 2.87863 -108.43105 1151.08991
|
|
8385.0000 -117.73460 -109.52280 8.21180 2.86037 -108.67882 1144.10312
|
|
8390.0000 -117.92016 -110.55799 7.36217 2.83498 -109.02334 1131.28453
|
|
8395.0000 -117.38453 -110.53900 6.84553 2.72113 -110.56855 1077.80472
|
|
8400.0000 -117.45380 -109.97420 7.47960 2.67483 -111.19700 1040.00013
|
|
8405.0000 -115.54934 -107.28805 8.26129 2.82100 -109.21317 1153.32309
|
|
8410.0000 -113.97473 -108.11046 5.86427 2.86680 -108.59159 1118.87524
|
|
8415.0000 -115.18285 -108.00035 7.18250 2.90904 -108.01825 1146.52571
|
|
8420.0000 -116.07435 -107.96135 8.11300 3.01396 -106.59425 1227.53468
|
|
8425.0000 -115.54793 -106.95875 8.58918 2.99412 -106.86359 1236.95191
|
|
8430.0000 -115.81838 -107.78942 8.02896 3.02460 -106.44990 1254.10856
|
|
8435.0000 -115.72656 -107.97829 7.74827 2.83404 -109.03613 1106.56857
|
|
8440.0000 -116.82865 -109.59380 7.23485 2.81975 -109.23013 1140.25899
|
|
8445.0000 -113.58813 -107.33768 6.25045 2.90464 -108.07794 1164.52972
|
|
8450.0000 -114.87191 -107.69003 7.18188 2.92834 -107.75636 1215.21494
|
|
8455.0000 -115.22345 -109.27668 5.94677 2.85839 -108.70566 1140.40774
|
|
8460.0000 -116.07768 -107.92933 8.14835 2.94249 -107.56422 1253.35067
|
|
8465.0000 -116.42095 -107.86429 8.55666 3.00054 -106.77634 1276.68603
|
|
8470.0000 -116.04996 -108.55582 7.49414 2.80824 -109.38635 1111.44424
|
|
8475.0000 -114.80003 -107.32314 7.47688 2.86694 -108.58964 1138.78770
|
|
8480.0000 -116.22920 -107.83685 8.39235 2.88692 -108.31842 1186.02348
|
|
8485.0000 -116.23293 -108.43292 7.80002 2.92306 -107.82801 1172.58120
|
|
8490.0000 -116.50439 -109.96406 6.54033 2.87702 -108.45278 1204.54907
|
|
8495.0000 -116.31593 -108.04562 8.27030 2.81990 -109.22813 1133.71847
|
|
8500.0000 -116.17519 -107.11983 9.05536 2.90481 -108.07573 1199.51081
|
|
MELTING PROCESS: loop number 35 T-loop= 1199.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1199.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.76883 -1.96535 -1.54089
|
|
force_rgl> df(natom) 1.95229 0.49118 1.62740
|
|
8505.0000 -113.45518 -107.55823 5.89695 2.92567 -107.79259 1207.39291
|
|
8510.0000 -114.11184 -105.82561 8.28622 3.05937 -105.97795 1298.30624
|
|
8515.0000 -115.86742 -108.20543 7.66199 3.02298 -106.47190 1291.03223
|
|
8520.0000 -115.23392 -108.07497 7.15895 2.81948 -109.23380 1126.72558
|
|
8525.0000 -115.94136 -107.13197 8.80939 2.94667 -107.50749 1231.44717
|
|
8530.0000 -114.47709 -106.02680 8.45029 2.93898 -107.61190 1228.38521
|
|
8535.0000 -113.97729 -105.95151 8.02578 3.08678 -105.60595 1321.04972
|
|
8540.0000 -114.70721 -106.46212 8.24509 3.00093 -106.77118 1291.43361
|
|
8545.0000 -115.59726 -107.65932 7.93794 2.99279 -106.88152 1212.52481
|
|
8550.0000 -115.39759 -107.71810 7.67949 2.96459 -107.26439 1230.77004
|
|
8555.0000 -115.42460 -107.20484 8.21976 2.90524 -108.06988 1179.38878
|
|
8560.0000 -115.20102 -106.05720 9.14381 3.04608 -106.15831 1270.27199
|
|
8565.0000 -115.37591 -108.16846 7.20745 2.94479 -107.53302 1204.16203
|
|
8570.0000 -114.80391 -107.36745 7.43645 2.85869 -108.70157 1150.54975
|
|
8575.0000 -115.70886 -108.65330 7.05555 2.92126 -107.85237 1234.17885
|
|
8580.0000 -117.42222 -109.28491 8.13731 2.84604 -108.87323 1162.98330
|
|
8585.0000 -116.35208 -109.35675 6.99533 2.79794 -109.52611 1119.93398
|
|
8590.0000 -117.21273 -108.97860 8.23412 2.78741 -109.66896 1110.38752
|
|
8595.0000 -116.44337 -110.29715 6.14623 2.78267 -109.73333 1104.39778
|
|
8600.0000 -116.98845 -109.86520 7.12325 2.78135 -109.75128 1097.88951
|
|
8605.0000 -115.32256 -106.77469 8.54787 2.85441 -108.75968 1116.66049
|
|
8610.0000 -115.51011 -106.51637 8.99374 3.01887 -106.52757 1324.25537
|
|
8615.0000 -114.75170 -107.33572 7.41598 3.01928 -106.52204 1299.84692
|
|
8620.0000 -115.06165 -106.29200 8.76965 2.98168 -107.03237 1253.61522
|
|
8625.0000 -115.75298 -107.55226 8.20072 2.96851 -107.21116 1228.42963
|
|
8630.0000 -116.26665 -108.16368 8.10297 2.89758 -108.17379 1176.91929
|
|
8635.0000 -115.90868 -107.39039 8.51829 2.90495 -108.07372 1177.24057
|
|
8640.0000 -117.41014 -109.92102 7.48912 2.84241 -108.92255 1120.68304
|
|
8645.0000 -117.40079 -110.41836 6.98243 2.76875 -109.92228 1093.88696
|
|
8650.0000 -115.31459 -108.46789 6.84670 2.88757 -108.30965 1195.87830
|
|
8655.0000 -116.32846 -107.97291 8.35555 2.86517 -108.61360 1139.28797
|
|
8660.0000 -115.71104 -108.47771 7.23332 2.86493 -108.61691 1146.69841
|
|
8665.0000 -115.42991 -107.52030 7.90961 2.92571 -107.79202 1207.88729
|
|
8670.0000 -116.46665 -108.32146 8.14519 2.88044 -108.40638 1174.85020
|
|
8675.0000 -115.92029 -107.28534 8.63495 2.90380 -108.08934 1215.92498
|
|
8680.0000 -114.65528 -107.24808 7.40720 2.88653 -108.32371 1170.00736
|
|
8685.0000 -115.80901 -107.06555 8.74346 2.92624 -107.78482 1209.14143
|
|
8690.0000 -115.39698 -106.90824 8.48874 2.98020 -107.05249 1282.86609
|
|
8695.0000 -114.67991 -107.62722 7.05269 2.96831 -107.21377 1259.79517
|
|
8700.0000 -114.67185 -107.41488 7.25697 2.92109 -107.85467 1205.32363
|
|
8705.0000 -114.80075 -107.31138 7.48937 2.92359 -107.82075 1202.82373
|
|
8710.0000 -114.70157 -106.37095 8.33062 3.02396 -106.45858 1272.12016
|
|
8715.0000 -114.20225 -106.41285 7.78940 3.03330 -106.33175 1270.49237
|
|
8720.0000 -116.31159 -107.15863 9.15296 2.95993 -107.32763 1236.95258
|
|
8725.0000 -116.01109 -108.53248 7.47861 2.96271 -107.28978 1198.71564
|
|
8730.0000 -116.91539 -108.10617 8.80922 2.90003 -108.14051 1182.87126
|
|
8735.0000 -116.06926 -109.02606 7.04320 2.89424 -108.21910 1190.34074
|
|
8740.0000 -113.70188 -105.92489 7.77700 3.00664 -106.69368 1199.67455
|
|
8745.0000 -114.44158 -107.07752 7.36407 3.05601 -106.02361 1280.03287
|
|
8750.0000 -116.43830 -110.83106 5.60724 2.85437 -108.76022 1122.82093
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 9 [min], 27.8776025 [s].
|
|
main_MD> Deallocating global variables
|