1979 lines
195 KiB
Plaintext
1979 lines
195 KiB
Plaintext
main_MD> Reading input file
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read_input> Process type: freezing
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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 fromtoFreeze_53.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 = 53 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: 53 5300
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main_MD> Size of nv and nvoiz: 53 5300
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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 = 53
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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> 2.0345761694960038E-003 -0.12094108039925248 -0.13447132524360497 initial drift of cluster / NP1 for coalescence
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init> 0.37190143607712123 0.36235087897547685 0.32966409737092117 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 3.6834166315828781E-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) 0.36419 0.41069 -1.03542
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force_rgl> df(natom) 1.73459 3.31029 -1.65440
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preparo> THERMALIZATION PROCESS AT 1180.7259203687802
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -114.21580006309681 9.5462046783494774 -123.76200474144629 6.3911593808401042E-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 freezing
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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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FREEZING PROCESS: loop number 1 T-loop= 1152.0000000000000
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main_MD> interactions number 1 at Temperature= 1152.0000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.40422 -0.35166 0.07099
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force_rgl> df(natom) -1.20352 -0.32367 -1.13609
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5.0000 -122.96874 -114.75097 8.21778 2.93929 -114.87755 1186.70536
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10.0000 -122.79643 -114.58707 8.20936 2.90913 -115.30305 1162.63394
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15.0000 -121.97563 -113.84901 8.12662 3.02212 -113.70889 1280.66084
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20.0000 -124.17932 -115.27584 8.90349 3.00989 -113.88145 1223.77098
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25.0000 -122.69641 -115.59683 7.09958 2.90702 -115.33284 1144.98692
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30.0000 -125.21913 -117.46888 7.75025 2.77161 -117.24340 1074.11570
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35.0000 -122.29358 -114.81513 7.47845 2.83330 -116.37298 1117.82146
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40.0000 -124.83212 -115.63870 9.19343 2.88229 -115.68175 1122.79532
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45.0000 -121.17861 -113.11708 8.06153 2.95953 -114.59202 1233.34001
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50.0000 -123.62869 -116.22634 7.40235 2.95841 -114.60780 1154.03960
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55.0000 -124.58356 -117.93185 6.65171 2.79360 -116.93324 1096.70045
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60.0000 -123.49868 -113.88977 9.60892 2.88901 -115.58693 1161.14597
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65.0000 -124.13818 -115.95533 8.18285 2.92397 -115.09377 1206.15327
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70.0000 -123.01071 -114.91673 8.09398 2.88682 -115.61791 1144.25641
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75.0000 -124.57359 -116.57885 7.99474 2.85500 -116.06681 1131.24234
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80.0000 -123.18395 -116.49852 6.68543 2.87007 -115.85423 1118.13284
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85.0000 -123.60207 -116.91427 6.68780 2.77886 -117.14121 1057.85394
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90.0000 -124.18948 -115.80814 8.38134 2.85130 -116.11913 1128.45085
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95.0000 -126.42912 -119.09986 7.32926 2.73663 -117.73706 1067.46681
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100.0000 -124.06328 -116.66840 7.39488 2.72534 -117.89625 1030.32506
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105.0000 -124.38044 -114.77146 9.60898 2.90319 -115.38697 1210.00514
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110.0000 -123.15349 -116.57200 6.58150 2.81521 -116.62823 1100.72788
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115.0000 -123.41312 -115.62652 7.78660 2.84810 -116.16426 1129.63827
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120.0000 -121.66669 -114.90062 6.76607 2.92959 -115.01440 1173.91679
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125.0000 -123.24402 -114.35540 8.88862 2.98467 -114.23722 1222.40824
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130.0000 -124.05911 -116.91880 7.14031 2.82160 -116.53815 1085.64980
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135.0000 -122.42743 -116.98019 5.44724 2.81393 -116.64636 1084.04236
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140.0000 -120.88485 -114.22859 6.65627 2.96642 -114.49476 1170.18710
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145.0000 -124.62139 -115.68222 8.93917 2.96715 -114.48450 1218.29434
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150.0000 -124.76101 -115.65775 9.10326 2.85934 -116.00561 1105.74883
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155.0000 -121.71868 -113.80182 7.91686 2.99120 -114.14511 1204.81020
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160.0000 -122.27140 -115.27836 6.99304 2.99434 -114.10077 1226.00667
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165.0000 -125.62673 -116.36433 9.26240 2.86526 -115.92205 1086.11941
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170.0000 -125.26416 -116.81363 8.45053 2.77375 -117.21326 1085.17018
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175.0000 -124.25100 -117.12995 7.12105 2.79259 -116.94749 1095.43236
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180.0000 -123.78803 -117.04406 6.74397 2.82731 -116.45753 1122.60939
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185.0000 -124.09818 -117.52562 6.57256 2.71608 -118.02694 1005.98984
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190.0000 -123.78569 -114.97488 8.81081 2.85488 -116.06852 1160.17025
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195.0000 -122.71015 -113.51051 9.19963 2.98651 -114.21123 1251.21493
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200.0000 -122.17738 -114.79104 7.38635 2.87260 -115.81854 1118.01777
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205.0000 -123.26124 -116.84332 6.41792 2.85174 -116.11285 1148.04063
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210.0000 -124.00662 -114.78467 9.22195 2.93251 -114.97318 1148.73319
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215.0000 -121.96052 -115.52378 6.43674 2.92661 -115.05646 1198.56946
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220.0000 -121.06240 -113.40057 7.66183 3.03039 -113.59220 1255.58662
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225.0000 -122.07815 -114.16198 7.91617 3.02325 -113.69296 1239.48302
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230.0000 -122.97120 -115.09576 7.87544 2.97990 -114.30454 1215.92912
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235.0000 -121.91055 -112.61682 9.29373 2.98760 -114.19594 1214.32143
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240.0000 -123.35272 -115.61272 7.74000 3.02392 -113.68342 1269.78360
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245.0000 -122.00913 -115.23822 6.77091 2.93487 -114.93992 1166.79034
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250.0000 -124.26572 -116.80276 7.46296 2.79248 -116.94902 1072.61600
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FREEZING PROCESS: loop number 2 T-loop= 1127.0000000000000
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main_MD> interactions number 2 at Temperature= 1127.0000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.80509 3.10760 -4.44572
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force_rgl> df(natom) -0.87619 1.08107 0.26082
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255.0000 -124.45323 -118.66905 5.78418 2.77886 -117.14120 1093.98435
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260.0000 -126.32195 -118.24543 8.07652 2.72776 -117.86216 996.10787
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265.0000 -122.75075 -114.94430 7.80645 2.79777 -116.87436 1108.61646
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270.0000 -123.68390 -116.61265 7.07125 2.85677 -116.04190 1115.42183
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275.0000 -123.75111 -117.00878 6.74233 2.87947 -115.72156 1129.17373
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280.0000 -124.90968 -116.98843 7.92125 2.80810 -116.72862 1102.39841
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285.0000 -126.11979 -117.64909 8.47070 2.74405 -117.63232 1023.98046
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290.0000 -122.43394 -115.41725 7.01669 2.83119 -116.40285 1105.27060
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295.0000 -123.41768 -114.66769 8.74999 2.87513 -115.78279 1170.04340
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300.0000 -124.07185 -117.32404 6.74781 2.88365 -115.66260 1137.01337
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305.0000 -124.03365 -117.11905 6.91460 2.77358 -117.21566 1053.00786
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310.0000 -123.67065 -116.38414 7.28651 2.88104 -115.69947 1164.07286
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315.0000 -123.09258 -115.54241 7.55017 2.86556 -115.91785 1165.84328
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320.0000 -123.64594 -115.84707 7.79887 2.91914 -115.16190 1172.53853
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325.0000 -124.52827 -115.49179 9.03649 2.90531 -115.35700 1172.70786
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330.0000 -124.90244 -117.93948 6.96296 2.83410 -116.36182 1149.66372
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335.0000 -125.36033 -118.14943 7.21090 2.70958 -118.11867 1031.03271
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340.0000 -123.51975 -115.76391 7.75584 2.86299 -115.95418 1120.96724
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345.0000 -125.24663 -118.75954 6.48709 2.82095 -116.54729 1077.92098
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350.0000 -123.06619 -116.24798 6.81821 2.81217 -116.67118 1124.78870
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355.0000 -125.19751 -118.47326 6.72425 2.73116 -117.81416 1052.24615
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360.0000 -123.46538 -115.43226 8.03312 2.71419 -118.05366 1017.08623
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365.0000 -124.03534 -116.89381 7.14153 2.78774 -117.01594 1063.24738
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370.0000 -124.71679 -115.96231 8.75448 2.83068 -116.40999 1122.08033
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375.0000 -123.25058 -115.48543 7.76515 2.81157 -116.67959 1116.29070
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380.0000 -124.14491 -115.67049 8.47442 2.80837 -116.72480 1102.45018
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385.0000 -124.78938 -117.75903 7.03035 2.86023 -115.99305 1096.13345
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390.0000 -122.05090 -113.85909 8.19181 2.86258 -115.95995 1092.22819
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395.0000 -123.49044 -114.27749 9.21295 3.01328 -113.83359 1273.59809
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400.0000 -121.50969 -115.53163 5.97806 3.01191 -113.85288 1222.68612
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405.0000 -123.47681 -114.30532 9.17149 2.92197 -115.12193 1134.02662
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410.0000 -122.38879 -115.22311 7.16568 2.95638 -114.63646 1175.76029
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415.0000 -123.28159 -116.22165 7.05993 2.88299 -115.67199 1112.84476
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420.0000 -123.08566 -114.40280 8.68286 2.85866 -116.01524 1125.65851
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425.0000 -121.33228 -112.70306 8.62922 2.98738 -114.19905 1244.14589
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430.0000 -122.51808 -114.52519 7.99290 3.01459 -113.81512 1274.73149
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435.0000 -122.83821 -117.11891 5.71930 2.90713 -115.33134 1153.58500
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440.0000 -125.19521 -117.00982 8.18539 2.82315 -116.51624 1100.06975
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445.0000 -120.81373 -112.78042 8.03330 2.93471 -114.94211 1176.14107
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450.0000 -121.75474 -112.49493 9.25980 3.06043 -113.16836 1302.47178
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455.0000 -122.51739 -115.26626 7.25113 3.03169 -113.57383 1242.43243
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460.0000 -121.70141 -113.41311 8.28830 2.91155 -115.26895 1182.42144
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465.0000 -123.84335 -116.35609 7.48726 2.90606 -115.34642 1157.41721
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470.0000 -124.00873 -113.89118 10.11755 2.96524 -114.51142 1173.84271
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475.0000 -122.27171 -114.69252 7.57919 2.93352 -114.95893 1180.38412
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480.0000 -121.63566 -113.10836 8.52730 3.03046 -113.59124 1284.20563
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485.0000 -123.73943 -115.54401 8.19543 2.89939 -115.44059 1193.87754
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490.0000 -122.88581 -115.07783 7.80798 2.91261 -115.25403 1180.74154
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495.0000 -123.98977 -114.77861 9.21116 2.96176 -114.56048 1197.93174
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500.0000 -123.84938 -115.12484 8.72454 2.92519 -115.07646 1208.94723
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FREEZING PROCESS: loop number 3 T-loop= 1102.0000000000000
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main_MD> interactions number 3 at Temperature= 1102.0000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.04132 -0.37271 3.80059
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force_rgl> df(natom) 0.96826 -5.56062 3.13539
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505.0000 -122.59287 -115.78424 6.80863 2.88351 -115.66459 1156.44299
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510.0000 -122.68390 -114.69850 7.98540 2.87815 -115.74027 1143.66551
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515.0000 -124.95154 -116.36966 8.58188 2.85138 -116.11795 1146.07372
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520.0000 -123.71168 -116.20616 7.50552 2.83468 -116.35359 1086.01582
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525.0000 -124.18197 -116.70368 7.47829 2.80889 -116.71750 1107.27828
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530.0000 -124.21427 -117.43859 6.77569 2.86632 -115.90715 1117.27932
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535.0000 -124.06531 -116.85525 7.21007 2.81291 -116.66075 1079.96764
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540.0000 -122.92387 -114.41041 8.51346 2.85537 -116.06167 1118.43282
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545.0000 -124.91925 -117.39912 7.52013 2.86692 -115.89870 1140.54947
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550.0000 -124.69944 -116.94027 7.75917 2.78833 -117.00756 1078.96225
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555.0000 -124.80286 -118.78604 6.01682 2.70440 -118.19173 1050.68215
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560.0000 -124.50314 -118.41329 6.08985 2.71789 -118.00144 1030.28450
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565.0000 -124.00250 -116.26541 7.73709 2.83895 -116.29334 1114.42081
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570.0000 -125.20840 -118.45267 6.75573 2.75935 -117.41642 1034.61049
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575.0000 -124.30234 -115.89253 8.40981 2.81569 -116.62156 1118.13377
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580.0000 -123.07392 -116.58432 6.48960 2.83834 -116.30198 1152.35009
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585.0000 -123.32718 -115.54058 7.78661 2.88641 -115.62368 1155.05543
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590.0000 -125.09297 -117.28236 7.81061 2.81822 -116.58587 1099.18604
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595.0000 -125.03315 -116.59363 8.43952 2.79345 -116.93533 1117.21056
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600.0000 -122.95651 -113.78457 9.17194 2.91330 -115.24428 1157.33114
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605.0000 -124.03094 -115.52684 8.50409 2.99235 -114.12890 1162.50667
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610.0000 -122.41539 -114.92907 7.48631 2.92555 -115.07141 1195.71172
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615.0000 -125.14722 -117.17629 7.97094 2.79495 -116.91416 1055.15048
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620.0000 -125.78168 -118.17435 7.60733 2.77815 -117.15119 1109.16172
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625.0000 -122.78484 -115.54448 7.24036 2.73995 -117.69024 1043.49664
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630.0000 -122.32179 -114.40852 7.91327 2.93002 -115.00833 1177.43563
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635.0000 -122.27066 -114.16269 8.10797 3.02193 -113.71149 1216.90297
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640.0000 -121.71410 -113.94371 7.77039 2.99098 -114.14817 1228.61652
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645.0000 -125.29224 -119.01557 6.27667 2.82156 -116.53862 1121.28134
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650.0000 -124.65269 -116.80152 7.85117 2.73162 -117.80772 1034.16627
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655.0000 -124.20625 -118.03767 6.16858 2.70411 -118.19580 996.80836
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660.0000 -124.50222 -117.32270 7.17952 2.74136 -117.67033 1020.91517
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665.0000 -123.23373 -115.65959 7.57414 2.83057 -116.41156 1129.73453
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670.0000 -123.93177 -116.36920 7.56257 2.78241 -117.09109 1094.36845
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675.0000 -124.93304 -116.79932 8.13373 2.82500 -116.49022 1138.39768
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680.0000 -123.53942 -116.76168 6.77774 2.77934 -117.13434 1013.81581
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685.0000 -124.33402 -117.37769 6.95633 2.77527 -117.19188 1072.18834
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690.0000 -126.48565 -119.71943 6.76622 2.66202 -118.78973 987.27642
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695.0000 -124.05471 -118.61070 5.44400 2.64230 -119.06801 961.47695
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700.0000 -124.90222 -117.51307 7.38915 2.76415 -117.34870 1049.25438
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705.0000 -124.95498 -117.47286 7.48213 2.77358 -117.21564 1085.26143
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710.0000 -123.57623 -116.69754 6.87869 2.84620 -116.19100 1114.58004
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715.0000 -125.21170 -117.55253 7.65917 2.76519 -117.33402 1038.98613
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720.0000 -123.48416 -116.77377 6.71039 2.72576 -117.89042 1062.21042
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725.0000 -122.20013 -114.62360 7.57653 2.95174 -114.70195 1171.02420
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730.0000 -121.38716 -112.13335 9.25382 3.04035 -113.45161 1260.74668
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735.0000 -124.42784 -115.24112 9.18672 2.98679 -114.20729 1184.54702
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740.0000 -123.45536 -114.42578 9.02958 2.92826 -115.03322 1177.15063
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745.0000 -123.62683 -116.24737 7.37946 2.94779 -114.75756 1241.58354
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750.0000 -124.56296 -116.81550 7.74746 2.86186 -115.97004 1126.91840
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FREEZING PROCESS: loop number 4 T-loop= 1077.0000000000000
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main_MD> interactions number 4 at Temperature= 1077.0000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.44225 3.98678 2.06303
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force_rgl> df(natom) 3.81637 0.96167 -5.93991
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755.0000 -123.74375 -116.39562 7.34814 2.77048 -117.25941 1103.06140
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760.0000 -123.85242 -117.83391 6.01850 2.79610 -116.89794 1090.35389
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765.0000 -123.96141 -116.05517 7.90624 2.81102 -116.68744 1107.36876
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770.0000 -124.61358 -115.92011 8.69347 2.88223 -115.68270 1189.24180
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775.0000 -123.24159 -114.66826 8.57334 2.95496 -114.65646 1198.61981
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780.0000 -124.91397 -117.93392 6.98004 2.82744 -116.45572 1077.41892
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785.0000 -124.39001 -117.79832 6.59170 2.78472 -117.05842 1067.10301
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790.0000 -125.21470 -115.27886 9.93584 2.79397 -116.92799 1093.81826
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795.0000 -124.86453 -116.93686 7.92768 2.83867 -116.29730 1094.67655
|
|
800.0000 -125.03980 -119.29019 5.74961 2.74072 -117.67932 1030.64703
|
|
805.0000 -124.89568 -118.74643 6.14926 2.70940 -118.12125 1019.78275
|
|
810.0000 -125.07900 -118.55940 6.51960 2.62018 -119.38008 941.75708
|
|
815.0000 -124.07233 -117.31897 6.75335 2.66770 -118.70960 988.55975
|
|
820.0000 -122.94039 -116.25530 6.68509 2.72843 -117.85265 1034.21069
|
|
825.0000 -124.95023 -116.80334 8.14688 2.82744 -116.45571 1080.00322
|
|
830.0000 -125.06980 -117.07571 7.99410 2.68308 -118.49266 1025.70672
|
|
835.0000 -122.72437 -115.43728 7.28709 2.75047 -117.54178 1046.98871
|
|
840.0000 -122.69776 -115.22284 7.47492 2.94711 -114.76720 1191.74546
|
|
845.0000 -122.95498 -116.23741 6.71757 2.89956 -115.43810 1189.00879
|
|
850.0000 -123.09994 -114.87976 8.22018 2.83731 -116.31650 1142.24093
|
|
855.0000 -124.16912 -116.49043 7.67870 2.93846 -114.88930 1176.71816
|
|
860.0000 -124.70275 -118.47482 6.22793 2.69211 -118.36519 1038.16100
|
|
865.0000 -124.24542 -116.94000 7.30542 2.79665 -116.89019 1101.09552
|
|
870.0000 -123.67287 -116.80525 6.86761 2.83117 -116.40305 1132.51268
|
|
875.0000 -125.09646 -119.01283 6.08362 2.73557 -117.75202 1081.69015
|
|
880.0000 -126.07046 -117.43781 8.63265 2.63934 -119.10981 956.89202
|
|
885.0000 -125.02364 -116.79399 8.22965 2.77809 -117.15209 1105.61050
|
|
890.0000 -124.29098 -118.42971 5.86127 2.74342 -117.64124 1031.35386
|
|
895.0000 -126.92795 -121.54000 5.38795 2.56972 -120.09205 911.99244
|
|
900.0000 -125.58543 -118.96519 6.62024 2.60180 -119.63947 907.19385
|
|
905.0000 -125.84412 -117.54307 8.30105 2.73810 -117.71632 1046.47618
|
|
910.0000 -124.04920 -117.75540 6.29380 2.81720 -116.60020 1097.56840
|
|
915.0000 -124.84233 -118.06714 6.77519 2.72045 -117.96533 1034.67054
|
|
920.0000 -125.09072 -116.47699 8.61372 2.77481 -117.19831 1064.53878
|
|
925.0000 -125.13204 -116.22237 8.90967 2.81729 -116.59888 1108.45806
|
|
930.0000 -125.17038 -117.09660 8.07378 2.79289 -116.94326 1083.58896
|
|
935.0000 -123.93974 -115.49785 8.44190 2.82096 -116.54714 1115.00030
|
|
940.0000 -124.61522 -116.26278 8.35244 2.89537 -115.49728 1157.63161
|
|
945.0000 -124.42525 -118.61325 5.81200 2.78665 -117.03118 1051.67072
|
|
950.0000 -126.03675 -118.80678 7.22997 2.68901 -118.40890 986.97337
|
|
955.0000 -126.34870 -118.87754 7.47116 2.69602 -118.30998 979.63374
|
|
960.0000 -125.25265 -117.33424 7.91840 2.69450 -118.33143 995.91782
|
|
965.0000 -124.04059 -116.56574 7.47485 2.79773 -116.87489 1079.92608
|
|
970.0000 -124.01579 -116.58790 7.42789 2.82066 -116.55132 1068.89870
|
|
975.0000 -123.83993 -117.97092 5.86901 2.77573 -117.18529 1074.53036
|
|
980.0000 -124.36791 -117.72042 6.64749 2.72048 -117.96483 1048.57573
|
|
985.0000 -126.14806 -118.31113 7.83693 2.74976 -117.55171 1045.11634
|
|
990.0000 -125.44355 -118.22771 7.21584 2.73725 -117.72828 1065.78373
|
|
995.0000 -124.14171 -117.22578 6.91593 2.74587 -117.60661 1047.97144
|
|
1000.0000 -122.47385 -114.47366 8.00019 2.88407 -115.65675 1173.63074
|
|
FREEZING PROCESS: loop number 5 T-loop= 1052.0000000000000
|
|
main_MD> interactions number 5 at Temperature= 1052.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.98214 1.71756 4.38109
|
|
force_rgl> df(natom) -0.61458 -2.30756 -2.22916
|
|
1005.0000 -124.12843 -116.13696 7.99147 2.84644 -116.18763 1100.96858
|
|
1010.0000 -122.76037 -116.14143 6.61894 2.83578 -116.33799 1093.98677
|
|
1015.0000 -124.67404 -117.08346 7.59058 2.83107 -116.40453 1064.63737
|
|
1020.0000 -123.78029 -114.94169 8.83860 2.79425 -116.92399 1107.06787
|
|
1025.0000 -124.08645 -117.12463 6.96183 2.90987 -115.29267 1220.93810
|
|
1030.0000 -125.17659 -117.09691 8.07968 2.76424 -117.34747 1069.18996
|
|
1035.0000 -125.97526 -117.28507 8.69019 2.79408 -116.92640 1068.05566
|
|
1040.0000 -122.92972 -115.56500 7.36472 2.81674 -116.60667 1110.84380
|
|
1045.0000 -124.11444 -117.78371 6.33074 2.79950 -116.84995 1080.27128
|
|
1050.0000 -123.60621 -116.37301 7.23320 2.81971 -116.56474 1112.24762
|
|
1055.0000 -125.01232 -116.46708 8.54525 2.80017 -116.84052 1069.94783
|
|
1060.0000 -124.16287 -115.50939 8.65347 2.82329 -116.51421 1113.21772
|
|
1065.0000 -125.81902 -118.20823 7.61079 2.76910 -117.27886 1074.86924
|
|
1070.0000 -125.44629 -118.55213 6.89416 2.67383 -118.62308 1005.42666
|
|
1075.0000 -123.24781 -115.76746 7.48035 2.72562 -117.89236 1053.49504
|
|
1080.0000 -123.45447 -116.15200 7.30246 2.86593 -115.91264 1138.16615
|
|
1085.0000 -124.36320 -116.73637 7.62684 2.80251 -116.80752 1094.47200
|
|
1090.0000 -123.53648 -116.37663 7.15985 2.78215 -117.09468 1052.40905
|
|
1095.0000 -124.66512 -117.53048 7.13464 2.74076 -117.67871 1043.05125
|
|
1100.0000 -125.98477 -117.43624 8.54853 2.73724 -117.72847 1040.56331
|
|
1105.0000 -125.08893 -118.83352 6.25541 2.70726 -118.15139 1034.42708
|
|
1110.0000 -124.39913 -116.20973 8.18940 2.73541 -117.75419 1029.90628
|
|
1115.0000 -124.71986 -116.70887 8.01099 2.78488 -117.05621 1079.71743
|
|
1120.0000 -122.66201 -115.47923 7.18278 2.84768 -116.17016 1141.94436
|
|
1125.0000 -125.03549 -118.01650 7.01899 2.75986 -117.40924 1069.50011
|
|
1130.0000 -124.42338 -117.42479 6.99859 2.76462 -117.34213 1071.39150
|
|
1135.0000 -124.85887 -116.88027 7.97860 2.78916 -116.99590 1074.13861
|
|
1140.0000 -124.80697 -116.92825 7.87872 2.75653 -117.45622 1027.00259
|
|
1145.0000 -125.74698 -117.65444 8.09254 2.75275 -117.50953 1090.66629
|
|
1150.0000 -123.77987 -117.46616 6.31371 2.68663 -118.44252 1012.99558
|
|
1155.0000 -123.77528 -117.11690 6.65837 2.78686 -117.02829 1068.13371
|
|
1160.0000 -124.04941 -116.48080 7.56861 2.78763 -117.01749 1095.96780
|
|
1165.0000 -124.94902 -118.27681 6.67221 2.79068 -116.97446 1076.06590
|
|
1170.0000 -124.23626 -117.95747 6.27879 2.68932 -118.40453 1012.67173
|
|
1175.0000 -125.59432 -118.13073 7.46359 2.68847 -118.41656 991.25059
|
|
1180.0000 -124.77793 -118.03499 6.74294 2.73508 -117.75887 997.02722
|
|
1185.0000 -124.51089 -117.64475 6.86614 2.75364 -117.49701 1042.46740
|
|
1190.0000 -123.42162 -115.82376 7.59786 2.85411 -116.07945 1083.96064
|
|
1195.0000 -125.42930 -117.37730 8.05200 2.82751 -116.45478 1053.46825
|
|
1200.0000 -124.80615 -117.10157 7.70458 2.79154 -116.96233 1126.80929
|
|
1205.0000 -124.04541 -117.50105 6.54436 2.75462 -117.48315 1043.63574
|
|
1210.0000 -125.37945 -117.05812 8.32134 2.82478 -116.49326 1088.92878
|
|
1215.0000 -124.68430 -117.61338 7.07092 2.73005 -117.82988 1048.00765
|
|
1220.0000 -123.53212 -116.26860 7.26351 2.75686 -117.45160 1039.17516
|
|
1225.0000 -126.18841 -117.87200 8.31641 2.78134 -117.10622 1094.94971
|
|
1230.0000 -124.27589 -116.26800 8.00789 2.81462 -116.63662 1111.02055
|
|
1235.0000 -123.80780 -114.94465 8.86315 2.87332 -115.80839 1132.09263
|
|
1240.0000 -122.18908 -116.04971 6.13937 2.91485 -115.22246 1180.23327
|
|
1245.0000 -124.15703 -117.74105 6.41598 2.79060 -116.97556 1058.75614
|
|
1250.0000 -124.92763 -118.11162 6.81601 2.71814 -117.99786 1006.34411
|
|
FREEZING PROCESS: loop number 6 T-loop= 1027.0000000000000
|
|
main_MD> interactions number 6 at Temperature= 1027.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.27181 -1.12686 0.39791
|
|
force_rgl> df(natom) -0.58616 1.97823 2.39398
|
|
1255.0000 -125.17874 -118.60304 6.57570 2.66069 -118.80851 995.60713
|
|
1260.0000 -124.17803 -117.91310 6.26493 2.76453 -117.34339 1094.35595
|
|
1265.0000 -125.21323 -117.89860 7.31463 2.71306 -118.06956 1018.30734
|
|
1270.0000 -124.67753 -118.03847 6.63906 2.74962 -117.55372 1021.50704
|
|
1275.0000 -124.35673 -117.30585 7.05088 2.70090 -118.24117 1004.99415
|
|
1280.0000 -122.80285 -115.13533 7.66752 2.86007 -115.99526 1083.32113
|
|
1285.0000 -122.93681 -115.96542 6.97139 2.86469 -115.93015 1091.86477
|
|
1290.0000 -126.29811 -117.71464 8.58347 2.76627 -117.31884 1094.95969
|
|
1295.0000 -125.17636 -118.42105 6.75531 2.73546 -117.75355 1036.02447
|
|
1300.0000 -123.86942 -116.52386 7.34556 2.75827 -117.43167 1015.08856
|
|
1305.0000 -123.83076 -117.86112 5.96964 2.72445 -117.90894 1007.52420
|
|
1310.0000 -126.60571 -119.07075 7.53496 2.64092 -119.08748 947.78618
|
|
1315.0000 -126.08816 -119.12621 6.96195 2.60808 -119.55078 932.55106
|
|
1320.0000 -125.13725 -119.09992 6.03733 2.65694 -118.86144 982.71621
|
|
1325.0000 -127.03847 -118.88925 8.14922 2.68780 -118.42600 1025.36617
|
|
1330.0000 -125.85513 -118.41458 7.44055 2.68624 -118.44795 1011.29308
|
|
1335.0000 -125.02673 -117.22066 7.80607 2.72227 -117.93959 1062.51905
|
|
1340.0000 -124.85428 -116.96547 7.88881 2.78825 -117.00872 1097.59843
|
|
1345.0000 -123.54657 -116.70113 6.84544 2.80715 -116.74199 1077.82335
|
|
1350.0000 -123.79112 -116.98602 6.80511 2.76790 -117.29586 1022.77521
|
|
1355.0000 -124.59145 -117.59532 6.99614 2.78748 -117.01951 1092.48192
|
|
1360.0000 -125.82561 -119.44616 6.37945 2.69271 -118.35675 1016.53949
|
|
1365.0000 -125.14137 -118.98098 6.16039 2.58131 -119.92852 944.35108
|
|
1370.0000 -125.04569 -118.80972 6.23598 2.67750 -118.57137 994.54900
|
|
1375.0000 -124.65823 -118.57762 6.08061 2.69729 -118.29205 1009.72243
|
|
1380.0000 -125.27017 -117.52442 7.74575 2.71895 -117.98649 1019.55411
|
|
1385.0000 -124.27752 -118.84156 5.43596 2.70382 -118.20000 1000.92088
|
|
1390.0000 -126.80746 -119.03857 7.76889 2.65469 -118.89314 948.47079
|
|
1395.0000 -126.39256 -119.91773 6.47483 2.61258 -119.48738 961.99307
|
|
1400.0000 -126.31516 -120.10446 6.21070 2.57574 -120.00709 919.04513
|
|
1405.0000 -126.29124 -121.44505 4.84618 2.55353 -120.32052 919.38028
|
|
1410.0000 -127.70819 -120.06619 7.64199 2.48876 -121.23443 870.24826
|
|
1415.0000 -126.79323 -120.81553 5.97770 2.50854 -120.95524 877.29429
|
|
1420.0000 -126.78218 -120.23701 6.54517 2.50007 -121.07479 863.02348
|
|
1425.0000 -124.82584 -118.52792 6.29791 2.59727 -119.70328 936.02701
|
|
1430.0000 -125.93027 -119.51511 6.41517 2.66788 -118.70712 994.68839
|
|
1435.0000 -125.77272 -119.44069 6.33204 2.61789 -119.41243 912.12513
|
|
1440.0000 -124.86344 -118.30825 6.55519 2.73005 -117.82981 991.73622
|
|
1445.0000 -125.06292 -118.18355 6.87938 2.71246 -118.07807 944.86669
|
|
1450.0000 -124.68143 -118.57170 6.10973 2.64423 -119.04073 985.09743
|
|
1455.0000 -124.19998 -117.89746 6.30252 2.68133 -118.51726 978.17421
|
|
1460.0000 -124.91013 -116.06937 8.84076 2.75392 -117.49310 1071.41371
|
|
1465.0000 -124.28199 -117.02574 7.25625 2.82037 -116.55541 1095.41725
|
|
1470.0000 -125.97538 -117.11486 8.86052 2.78126 -117.10729 1067.66170
|
|
1475.0000 -124.17853 -117.00693 7.17160 2.83802 -116.30638 1115.58834
|
|
1480.0000 -124.84692 -118.05209 6.79483 2.74745 -117.58431 1013.15270
|
|
1485.0000 -125.48505 -117.51025 7.97480 2.75276 -117.50941 1054.16124
|
|
1490.0000 -124.68165 -118.38570 6.29595 2.74573 -117.60862 1023.79700
|
|
1495.0000 -124.41217 -116.71662 7.69555 2.70566 -118.17401 1031.89197
|
|
1500.0000 -125.56715 -117.93154 7.63561 2.75469 -117.48225 1067.53833
|
|
FREEZING PROCESS: loop number 7 T-loop= 1002.0000000000000
|
|
main_MD> interactions number 7 at Temperature= 1002.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.40102 -1.75150 -0.07165
|
|
force_rgl> df(natom) 0.80541 -0.52720 -1.05510
|
|
1505.0000 -123.99305 -117.36793 6.62512 2.69976 -118.25731 1011.84269
|
|
1510.0000 -126.10670 -119.80792 6.29877 2.67491 -118.60787 991.58179
|
|
1515.0000 -124.93453 -118.36538 6.56914 2.59667 -119.71180 938.45791
|
|
1520.0000 -125.17492 -117.55697 7.61796 2.74077 -117.67859 1002.91884
|
|
1525.0000 -125.80840 -118.91227 6.89613 2.68467 -118.47013 993.59032
|
|
1530.0000 -123.68435 -116.97411 6.71024 2.70101 -118.23955 1020.45411
|
|
1535.0000 -124.20971 -117.37001 6.83969 2.74244 -117.65498 1039.85100
|
|
1540.0000 -125.96131 -118.20135 7.75995 2.77462 -117.20098 1077.45016
|
|
1545.0000 -125.73452 -118.34154 7.39298 2.69165 -118.37160 1006.26956
|
|
1550.0000 -125.10278 -118.15721 6.94557 2.70063 -118.24500 996.50026
|
|
1555.0000 -124.37728 -116.16290 8.21438 2.81092 -116.68875 1120.28502
|
|
1560.0000 -123.12479 -114.75215 8.37264 2.94763 -114.75991 1219.84975
|
|
1565.0000 -125.34288 -117.97174 7.37113 2.81326 -116.65575 1074.02887
|
|
1570.0000 -126.33930 -119.39411 6.94520 2.62740 -119.27821 940.28264
|
|
1575.0000 -126.34077 -118.63561 7.70516 2.64520 -119.02709 985.99648
|
|
1580.0000 -125.90107 -119.30810 6.59297 2.65256 -118.92317 962.94665
|
|
1585.0000 -126.17526 -119.17919 6.99607 2.66935 -118.68625 976.97613
|
|
1590.0000 -125.25060 -117.94357 7.30703 2.69231 -118.36242 995.76791
|
|
1595.0000 -125.51641 -118.71465 6.80176 2.71991 -117.97296 1009.47716
|
|
1600.0000 -125.40621 -119.93944 5.46677 2.62440 -119.32061 945.73501
|
|
1605.0000 -125.89410 -119.01263 6.88147 2.60247 -119.62997 971.13799
|
|
1610.0000 -125.77824 -118.69792 7.08031 2.65874 -118.83598 1010.98729
|
|
1615.0000 -125.61966 -118.83391 6.78575 2.64675 -119.00522 931.08086
|
|
1620.0000 -124.97089 -118.48066 6.49024 2.68905 -118.40833 971.78125
|
|
1625.0000 -125.26607 -118.93748 6.32859 2.67680 -118.58124 991.22993
|
|
1630.0000 -126.72247 -120.10933 6.61313 2.62803 -119.26932 966.37805
|
|
1635.0000 -125.55062 -119.67287 5.87775 2.63994 -119.10121 964.04656
|
|
1640.0000 -125.88872 -118.46433 7.42439 2.71990 -117.97303 1036.45460
|
|
1645.0000 -126.98736 -120.73513 6.25223 2.59520 -119.73261 958.56598
|
|
1650.0000 -126.35010 -120.39568 5.95442 2.58538 -119.87107 944.21957
|
|
1655.0000 -125.67873 -119.69788 5.98085 2.58666 -119.85305 933.71493
|
|
1660.0000 -126.72864 -118.23199 8.49664 2.62280 -119.34316 972.75985
|
|
1665.0000 -125.53859 -118.43755 7.10104 2.67589 -118.59404 1005.00060
|
|
1670.0000 -125.31889 -118.08680 7.23209 2.72032 -117.96718 1002.17645
|
|
1675.0000 -125.16337 -118.46244 6.70093 2.68142 -118.51605 1015.04555
|
|
1680.0000 -124.27233 -117.66463 6.60771 2.66322 -118.77282 977.22482
|
|
1685.0000 -123.03120 -116.02943 7.00177 2.81925 -116.57125 1115.46366
|
|
1690.0000 -124.63091 -116.49174 8.13918 2.83571 -116.33909 1082.63600
|
|
1695.0000 -124.04185 -116.75423 7.28762 2.81302 -116.65911 1093.59820
|
|
1700.0000 -124.64379 -117.83237 6.81142 2.73853 -117.71021 1051.26459
|
|
1705.0000 -125.37907 -119.31133 6.06774 2.68973 -118.39872 971.94610
|
|
1710.0000 -124.52129 -118.81673 5.70456 2.66042 -118.81229 998.58108
|
|
1715.0000 -124.69804 -117.47044 7.22760 2.68235 -118.50283 1008.77339
|
|
1720.0000 -126.54283 -120.05373 6.48910 2.68765 -118.42810 1001.40999
|
|
1725.0000 -125.52012 -117.99362 7.52650 2.64995 -118.96008 982.97071
|
|
1730.0000 -126.20537 -118.75061 7.45476 2.71928 -117.98175 1032.53072
|
|
1735.0000 -124.32182 -117.85485 6.46698 2.70404 -118.19690 1021.84247
|
|
1740.0000 -125.94116 -119.44780 6.49335 2.67432 -118.61613 1021.33843
|
|
1745.0000 -126.65412 -120.69095 5.96317 2.59584 -119.72359 954.16664
|
|
1750.0000 -124.98674 -117.91691 7.06983 2.61875 -119.40028 975.76574
|
|
FREEZING PROCESS: loop number 8 T-loop= 977.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 977.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.70242 -0.81207 0.55398
|
|
force_rgl> df(natom) 0.21785 -0.23188 -9.61365
|
|
1755.0000 -125.41615 -118.16427 7.25188 2.69341 -118.34679 1013.25867
|
|
1760.0000 -125.70184 -119.28021 6.42164 2.70472 -118.18720 1016.11726
|
|
1765.0000 -126.54389 -119.37619 7.16771 2.57221 -120.05687 903.39125
|
|
1770.0000 -124.71312 -117.26937 7.44376 2.62834 -119.26502 959.77160
|
|
1775.0000 -124.95815 -118.84175 6.11640 2.68977 -118.39822 989.39203
|
|
1780.0000 -126.97238 -120.18627 6.78611 2.57309 -120.04457 916.25376
|
|
1785.0000 -125.85024 -119.37543 6.47481 2.65083 -118.94766 988.06642
|
|
1790.0000 -125.76163 -119.18310 6.57852 2.60844 -119.54571 916.12381
|
|
1795.0000 -125.49966 -119.51983 5.97983 2.61153 -119.50215 926.77826
|
|
1800.0000 -125.63912 -119.14565 6.49347 2.65720 -118.85781 950.97262
|
|
1805.0000 -126.68378 -120.01811 6.66567 2.61477 -119.45643 924.92736
|
|
1810.0000 -127.08151 -121.76077 5.32074 2.53173 -120.62814 890.55980
|
|
1815.0000 -126.16806 -120.05868 6.10937 2.58841 -119.82835 941.19676
|
|
1820.0000 -126.45585 -120.20408 6.25177 2.54585 -120.42892 894.35268
|
|
1825.0000 -126.75424 -120.32183 6.43241 2.61688 -119.42671 924.76947
|
|
1830.0000 -125.31611 -118.77419 6.54192 2.61515 -119.45108 932.17196
|
|
1835.0000 -125.56385 -118.85065 6.71320 2.63805 -119.12796 976.84904
|
|
1840.0000 -124.96903 -118.13499 6.83404 2.69669 -118.30063 983.73106
|
|
1845.0000 -125.67748 -118.67981 6.99767 2.66226 -118.78636 1004.33735
|
|
1850.0000 -125.00682 -119.37834 5.62848 2.67668 -118.58291 1009.23340
|
|
1855.0000 -125.35752 -117.05703 8.30049 2.72850 -117.85170 1065.02656
|
|
1860.0000 -123.91489 -116.93734 6.97755 2.74961 -117.55383 1017.80920
|
|
1865.0000 -123.52641 -115.80160 7.72481 2.82120 -116.54381 1091.86571
|
|
1870.0000 -125.37654 -119.57014 5.80640 2.76491 -117.33797 1055.72515
|
|
1875.0000 -125.57189 -118.41748 7.15441 2.63886 -119.11649 985.79975
|
|
1880.0000 -125.28960 -117.95598 7.33362 2.73281 -117.79095 1007.22447
|
|
1885.0000 -124.30404 -118.37501 5.92903 2.73516 -117.75782 1001.08621
|
|
1890.0000 -125.94549 -119.13985 6.80564 2.60754 -119.55848 942.14521
|
|
1895.0000 -125.22292 -118.76554 6.45738 2.63782 -119.13117 979.07062
|
|
1900.0000 -126.69830 -120.04062 6.65768 2.61616 -119.43684 947.01181
|
|
1905.0000 -124.88291 -118.30846 6.57445 2.66377 -118.76508 1004.37198
|
|
1910.0000 -126.68823 -119.52159 7.16665 2.63818 -119.12609 969.27901
|
|
1915.0000 -126.29001 -118.81152 7.47849 2.57773 -119.97901 924.32749
|
|
1920.0000 -127.80706 -119.31742 8.48964 2.62427 -119.32241 970.16283
|
|
1925.0000 -124.52697 -118.79983 5.72713 2.64664 -119.00672 971.44522
|
|
1930.0000 -125.22911 -120.39133 4.83778 2.57745 -119.98302 893.12272
|
|
1935.0000 -125.65823 -121.64771 4.01052 2.42717 -122.10346 792.68527
|
|
1940.0000 -126.33571 -119.86826 6.46745 2.59409 -119.74822 919.05558
|
|
1945.0000 -127.03914 -119.64911 7.39003 2.61073 -119.51349 932.05179
|
|
1950.0000 -125.87322 -119.83675 6.03646 2.62084 -119.37078 943.37645
|
|
1955.0000 -125.35925 -118.19501 7.16424 2.64920 -118.97065 997.08930
|
|
1960.0000 -125.77553 -118.45237 7.32316 2.79970 -116.84712 1083.48778
|
|
1965.0000 -125.75528 -118.83168 6.92359 2.61248 -119.48876 931.20448
|
|
1970.0000 -125.30488 -117.96266 7.34223 2.68536 -118.46049 987.56469
|
|
1975.0000 -124.11272 -118.07748 6.03524 2.75055 -117.54064 1056.59247
|
|
1980.0000 -126.41180 -118.89163 7.52016 2.66768 -118.70986 964.01024
|
|
1985.0000 -125.07884 -118.88492 6.19392 2.66723 -118.71623 1026.42084
|
|
1990.0000 -126.64792 -120.67397 5.97394 2.59099 -119.79199 914.39896
|
|
1995.0000 -126.03075 -120.76996 5.26078 2.53072 -120.64240 873.07665
|
|
2000.0000 -125.83654 -120.07126 5.76527 2.58530 -119.87230 934.21121
|
|
FREEZING PROCESS: loop number 9 T-loop= 952.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 952.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 4.50782 -1.90159 0.96976
|
|
force_rgl> df(natom) 0.93015 -0.72273 -0.40627
|
|
2005.0000 -124.75077 -117.49894 7.25183 2.62177 -119.35761 947.58585
|
|
2010.0000 -124.70907 -118.07794 6.63114 2.72592 -117.88814 1012.25665
|
|
2015.0000 -125.65301 -118.72218 6.93083 2.71950 -117.97873 984.12023
|
|
2020.0000 -125.14813 -118.10618 7.04195 2.73801 -117.71761 1011.28709
|
|
2025.0000 -126.36507 -119.64381 6.72126 2.63135 -119.22243 962.55998
|
|
2030.0000 -126.44620 -121.06943 5.37677 2.55821 -120.25442 919.19573
|
|
2035.0000 -126.36266 -120.13036 6.23230 2.55145 -120.34987 889.46968
|
|
2040.0000 -124.81514 -118.39466 6.42048 2.64456 -119.03604 963.87255
|
|
2045.0000 -123.28683 -117.39686 5.88997 2.66771 -118.70939 940.08986
|
|
2050.0000 -125.86745 -119.90796 5.95950 2.64479 -119.03281 913.69703
|
|
2055.0000 -125.77919 -119.98132 5.79786 2.56947 -120.09552 925.43731
|
|
2060.0000 -127.47307 -120.65377 6.81930 2.51414 -120.87626 885.25768
|
|
2065.0000 -126.36374 -119.78910 6.57465 2.53610 -120.56637 869.83229
|
|
2070.0000 -124.60008 -118.95583 5.64424 2.62316 -119.33806 932.27199
|
|
2075.0000 -123.77124 -117.66259 6.10865 2.70760 -118.14666 1012.28182
|
|
2080.0000 -125.70533 -119.63090 6.07443 2.66501 -118.74752 996.67634
|
|
2085.0000 -124.67855 -117.81497 6.86357 2.66397 -118.76218 969.27072
|
|
2090.0000 -127.21735 -120.23181 6.98554 2.65962 -118.82366 949.41528
|
|
2095.0000 -127.07899 -119.67829 7.40070 2.55266 -120.33283 921.27863
|
|
2100.0000 -124.96301 -117.95104 7.01197 2.66999 -118.67732 977.24196
|
|
2105.0000 -126.60563 -119.97157 6.63405 2.62946 -119.24919 969.70629
|
|
2110.0000 -126.18471 -119.07599 7.10873 2.60536 -119.58918 955.07980
|
|
2115.0000 -125.36235 -117.44548 7.91687 2.70560 -118.17485 1023.21046
|
|
2120.0000 -124.18057 -115.98827 8.19230 2.83401 -116.36297 1100.83464
|
|
2125.0000 -127.50764 -119.14982 8.35783 2.76134 -117.38834 1061.66137
|
|
2130.0000 -125.83615 -119.34299 6.49316 2.62459 -119.31781 944.10679
|
|
2135.0000 -124.52059 -118.41240 6.10818 2.66802 -118.70515 985.27566
|
|
2140.0000 -125.16342 -118.35651 6.80691 2.70087 -118.24154 1009.52435
|
|
2145.0000 -123.91724 -116.91946 6.99779 2.71780 -118.00271 1015.42335
|
|
2150.0000 -124.87444 -118.07763 6.79682 2.78701 -117.02619 1023.30676
|
|
2155.0000 -123.44704 -116.53548 6.91156 2.76167 -117.38366 1081.99216
|
|
2160.0000 -124.73194 -117.82100 6.91094 2.74626 -117.60115 1024.19830
|
|
2165.0000 -125.19968 -118.73975 6.45993 2.73992 -117.69061 1015.38765
|
|
2170.0000 -124.44955 -118.48938 5.96017 2.70640 -118.16356 986.81278
|
|
2175.0000 -126.42692 -119.47078 6.95614 2.60703 -119.56558 949.47505
|
|
2180.0000 -125.99085 -119.62990 6.36095 2.59156 -119.78396 943.42025
|
|
2185.0000 -125.39805 -118.31475 7.08330 2.66526 -118.74407 991.28968
|
|
2190.0000 -126.23677 -118.78066 7.45611 2.65871 -118.83643 975.93370
|
|
2195.0000 -125.89469 -119.97287 5.92183 2.59934 -119.67415 939.08591
|
|
2200.0000 -125.96940 -119.39098 6.57842 2.61914 -119.39482 917.52251
|
|
2205.0000 -125.87503 -118.49099 7.38404 2.64294 -119.05901 991.67560
|
|
2210.0000 -126.07594 -120.44734 5.62860 2.62828 -119.26580 954.98279
|
|
2215.0000 -127.52472 -120.57196 6.95275 2.60510 -119.59287 943.74387
|
|
2220.0000 -123.88991 -118.17958 5.71033 2.62657 -119.29000 963.54899
|
|
2225.0000 -125.05967 -118.73619 6.32348 2.65364 -118.90803 1008.41971
|
|
2230.0000 -126.38325 -120.04363 6.33962 2.59977 -119.66814 937.41480
|
|
2235.0000 -126.38202 -120.13493 6.24709 2.55765 -120.26236 885.33386
|
|
2240.0000 -126.40870 -119.85366 6.55504 2.53432 -120.59151 877.78592
|
|
2245.0000 -125.89343 -120.36423 5.52919 2.65104 -118.94469 986.08184
|
|
2250.0000 -124.69501 -117.84718 6.84783 2.61765 -119.41577 963.33757
|
|
FREEZING PROCESS: loop number 10 T-loop= 927.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 927.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.48513 -2.13356 5.62635
|
|
force_rgl> df(natom) 2.65459 -0.94996 1.54265
|
|
2255.0000 -126.41348 -119.16854 7.24494 2.71428 -118.05238 1000.80698
|
|
2260.0000 -124.70051 -118.24551 6.45501 2.68501 -118.46537 974.18642
|
|
2265.0000 -125.15515 -118.66891 6.48625 2.69530 -118.32014 1004.35527
|
|
2270.0000 -125.62889 -118.88097 6.74792 2.67918 -118.54756 995.22181
|
|
2275.0000 -124.61183 -117.54650 7.06533 2.67881 -118.55278 1014.24811
|
|
2280.0000 -125.96103 -119.15788 6.80315 2.67392 -118.62189 1001.46102
|
|
2285.0000 -125.97901 -119.73063 6.24838 2.60781 -119.55470 955.99491
|
|
2290.0000 -125.87686 -119.35997 6.51688 2.62046 -119.37613 918.90971
|
|
2295.0000 -126.08918 -119.75637 6.33281 2.58729 -119.84417 947.77691
|
|
2300.0000 -127.20901 -121.00837 6.20064 2.54426 -120.45136 877.34098
|
|
2305.0000 -126.31319 -120.58121 5.73199 2.52764 -120.68577 887.26773
|
|
2310.0000 -126.91335 -120.60792 6.30543 2.53122 -120.63523 885.50430
|
|
2315.0000 -126.09226 -119.54514 6.54712 2.57109 -120.07277 927.28082
|
|
2320.0000 -126.39106 -120.32116 6.06990 2.59236 -119.77267 942.45412
|
|
2325.0000 -125.79849 -119.67651 6.12198 2.59067 -119.79641 904.01238
|
|
2330.0000 -125.70146 -117.96029 7.74118 2.69689 -118.29770 1026.59056
|
|
2335.0000 -126.00452 -118.79125 7.21327 2.68795 -118.42386 971.05997
|
|
2340.0000 -126.72061 -119.90164 6.81897 2.58786 -119.83610 955.27375
|
|
2345.0000 -126.20949 -119.99468 6.21481 2.60128 -119.64683 939.29180
|
|
2350.0000 -126.46185 -120.42612 6.03573 2.60927 -119.53398 927.63930
|
|
2355.0000 -125.40487 -118.97797 6.42690 2.64110 -119.08495 978.79357
|
|
2360.0000 -124.26640 -119.66571 4.60069 2.61682 -119.42746 935.67588
|
|
2365.0000 -127.64307 -121.77311 5.86996 2.59169 -119.78211 954.75262
|
|
2370.0000 -126.86817 -120.95783 5.91034 2.46899 -121.51339 843.24426
|
|
2375.0000 -126.62328 -121.14903 5.47425 2.45608 -121.69542 813.29754
|
|
2380.0000 -127.11192 -119.83351 7.27841 2.55022 -120.36714 892.69168
|
|
2385.0000 -125.78538 -120.65431 5.13107 2.54194 -120.48410 898.37483
|
|
2390.0000 -126.28267 -121.21171 5.07096 2.52034 -120.78885 873.27361
|
|
2395.0000 -127.18419 -120.33800 6.84618 2.56741 -120.12459 922.96307
|
|
2400.0000 -123.95401 -118.30953 5.64449 2.65556 -118.88088 965.07978
|
|
2405.0000 -127.32785 -120.81852 6.50932 2.62655 -119.29025 934.40591
|
|
2410.0000 -125.53811 -119.67023 5.86788 2.57404 -120.03111 923.36753
|
|
2415.0000 -125.33443 -118.95178 6.38266 2.59959 -119.67057 953.50544
|
|
2420.0000 -126.94370 -120.57005 6.37365 2.59613 -119.71945 948.18303
|
|
2425.0000 -127.74837 -120.38783 7.36053 2.51506 -120.86331 895.17218
|
|
2430.0000 -127.80804 -121.84741 5.96063 2.49338 -121.16923 891.08746
|
|
2435.0000 -126.12719 -119.11052 7.01667 2.53489 -120.58347 904.57556
|
|
2440.0000 -127.15898 -120.81816 6.34082 2.53255 -120.61649 892.41619
|
|
2445.0000 -126.32378 -119.44461 6.87917 2.61446 -119.46082 933.30080
|
|
2450.0000 -126.62459 -119.42337 7.20123 2.53681 -120.55643 913.56854
|
|
2455.0000 -126.12791 -119.47799 6.64993 2.60993 -119.52472 965.08299
|
|
2460.0000 -125.30824 -119.65647 5.65176 2.62895 -119.25631 962.13093
|
|
2465.0000 -126.04585 -118.20480 7.84105 2.73981 -117.69211 1029.35706
|
|
2470.0000 -126.24045 -119.91683 6.32362 2.59990 -119.66626 933.25061
|
|
2475.0000 -125.58985 -119.50013 6.08972 2.59882 -119.68150 961.95319
|
|
2480.0000 -127.49457 -121.35607 6.13850 2.52224 -120.76202 890.18097
|
|
2485.0000 -127.67260 -121.97540 5.69720 2.42180 -122.17914 821.11052
|
|
2490.0000 -126.94119 -121.54924 5.39195 2.47095 -121.48574 831.70346
|
|
2495.0000 -124.13381 -117.86243 6.27138 2.56521 -120.15566 911.37305
|
|
2500.0000 -125.20488 -118.25092 6.95397 2.68059 -118.52767 996.58011
|
|
FREEZING PROCESS: loop number 11 T-loop= 902.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 902.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.37571 -2.82988 -0.25403
|
|
force_rgl> df(natom) -0.57240 -0.02144 1.21683
|
|
2505.0000 -124.89667 -118.48749 6.40918 2.60864 -119.54287 904.26592
|
|
2510.0000 -124.62213 -119.18305 5.43909 2.57287 -120.04755 887.73741
|
|
2515.0000 -125.02931 -119.64345 5.38585 2.63314 -119.19726 966.56453
|
|
2520.0000 -127.77891 -121.01346 6.76545 2.57711 -119.98781 904.92662
|
|
2525.0000 -127.19209 -120.11419 7.07790 2.50946 -120.94235 856.08659
|
|
2530.0000 -125.76492 -119.48653 6.27840 2.55814 -120.25544 931.24023
|
|
2535.0000 -127.46688 -120.93495 6.53193 2.55522 -120.29662 904.04211
|
|
2540.0000 -126.84659 -120.46213 6.38446 2.50952 -120.94148 843.65578
|
|
2545.0000 -126.41600 -119.79426 6.62174 2.63175 -119.21678 954.42311
|
|
2550.0000 -128.38638 -121.00504 7.38135 2.58571 -119.86644 972.36906
|
|
2555.0000 -127.79366 -120.78883 7.00482 2.49397 -121.16081 871.43698
|
|
2560.0000 -127.72830 -121.44317 6.28513 2.48586 -121.27527 878.58449
|
|
2565.0000 -127.81543 -122.48564 5.32980 2.42180 -122.17918 813.24031
|
|
2570.0000 -126.78087 -120.24990 6.53098 2.45667 -121.68712 853.58236
|
|
2575.0000 -128.00674 -121.56316 6.44357 2.54342 -120.46311 906.56462
|
|
2580.0000 -126.70975 -121.59694 5.11281 2.45283 -121.74138 808.10927
|
|
2585.0000 -125.42737 -120.36057 5.06681 2.52052 -120.78631 863.00274
|
|
2590.0000 -127.65481 -121.54707 6.10773 2.49849 -121.09705 829.49388
|
|
2595.0000 -125.02474 -119.05000 5.97473 2.53608 -120.56665 890.90424
|
|
2600.0000 -126.16878 -119.78969 6.37909 2.55503 -120.29930 891.25910
|
|
2605.0000 -126.63962 -119.77587 6.86375 2.58816 -119.83183 937.36914
|
|
2610.0000 -125.68379 -119.38781 6.29598 2.58647 -119.85579 943.23232
|
|
2615.0000 -125.97486 -119.85508 6.11978 2.58192 -119.92000 914.62616
|
|
2620.0000 -127.66581 -120.53234 7.13347 2.56338 -120.18156 940.45021
|
|
2625.0000 -125.70081 -119.06457 6.63624 2.61332 -119.47691 951.72463
|
|
2630.0000 -126.03237 -119.04683 6.98554 2.60938 -119.53249 950.56184
|
|
2635.0000 -126.57395 -119.55936 7.01459 2.64718 -118.99915 979.35076
|
|
2640.0000 -126.46125 -120.85218 5.60907 2.56788 -120.11796 894.06883
|
|
2645.0000 -126.68872 -119.28971 7.39901 2.57612 -120.00172 918.65914
|
|
2650.0000 -125.91421 -119.43708 6.47712 2.58686 -119.85021 905.03528
|
|
2655.0000 -125.76070 -119.35313 6.40758 2.64542 -119.02401 939.08710
|
|
2660.0000 -125.56313 -119.00306 6.56007 2.63340 -119.19362 916.04604
|
|
2665.0000 -126.29588 -120.48039 5.81549 2.56457 -120.16471 968.72268
|
|
2670.0000 -126.18192 -119.42304 6.75888 2.53371 -120.60009 887.25915
|
|
2675.0000 -125.45374 -120.75383 4.69992 2.56629 -120.14040 916.11026
|
|
2680.0000 -127.02392 -120.96279 6.06113 2.55884 -120.24564 902.72040
|
|
2685.0000 -127.09769 -122.03800 5.05969 2.47866 -121.37696 820.84269
|
|
2690.0000 -128.05774 -120.73834 7.31940 2.43781 -121.95333 824.24601
|
|
2695.0000 -126.31318 -120.39566 5.91752 2.54015 -120.50929 903.47803
|
|
2700.0000 -127.20844 -119.85728 7.35116 2.48141 -121.33811 869.64067
|
|
2705.0000 -126.28804 -120.06584 6.22220 2.57091 -120.07522 920.00900
|
|
2710.0000 -124.25845 -118.22012 6.03833 2.60008 -119.66363 962.75768
|
|
2715.0000 -124.86099 -118.73098 6.13001 2.69687 -118.29803 1000.47178
|
|
2720.0000 -126.73822 -120.42674 6.31147 2.61148 -119.50284 954.02576
|
|
2725.0000 -126.12365 -119.23763 6.88602 2.56970 -120.09235 918.22973
|
|
2730.0000 -128.10515 -121.77946 6.32569 2.57822 -119.97214 936.20701
|
|
2735.0000 -126.97379 -119.80543 7.16836 2.55607 -120.28471 893.39978
|
|
2740.0000 -126.89009 -120.69800 6.19208 2.57903 -119.96071 956.71193
|
|
2745.0000 -126.69071 -120.64031 6.05039 2.50273 -121.03734 881.91015
|
|
2750.0000 -126.49208 -119.68524 6.80683 2.54073 -120.50107 916.27111
|
|
FREEZING PROCESS: loop number 12 T-loop= 877.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 877.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.69230 -0.20340 1.79604
|
|
force_rgl> df(natom) -4.00878 -4.21864 2.29084
|
|
2755.0000 -126.31121 -120.98859 5.32262 2.54588 -120.42846 901.01381
|
|
2760.0000 -126.82143 -120.45091 6.37052 2.52008 -120.79243 871.71083
|
|
2765.0000 -126.80047 -120.94545 5.85502 2.52125 -120.77603 896.90325
|
|
2770.0000 -125.44024 -119.27924 6.16100 2.55357 -120.31993 905.75958
|
|
2775.0000 -127.66301 -121.59693 6.06608 2.53128 -120.63448 881.91111
|
|
2780.0000 -127.53064 -122.98799 4.54265 2.41209 -122.31621 774.29861
|
|
2785.0000 -127.26543 -121.55493 5.71051 2.42068 -122.19498 791.07694
|
|
2790.0000 -127.02423 -121.86243 5.16179 2.48023 -121.35471 829.06621
|
|
2795.0000 -126.43465 -120.66859 5.76606 2.50504 -121.00463 843.12805
|
|
2800.0000 -126.94889 -120.83255 6.11634 2.54495 -120.44158 912.24118
|
|
2805.0000 -128.69770 -122.45820 6.23950 2.46245 -121.60567 858.63765
|
|
2810.0000 -126.37758 -120.44877 5.92881 2.56382 -120.17529 928.88929
|
|
2815.0000 -127.06277 -120.46400 6.59877 2.56918 -120.09963 888.76702
|
|
2820.0000 -127.46598 -121.67502 5.79096 2.48793 -121.24603 835.09158
|
|
2825.0000 -127.83681 -121.41946 6.41736 2.44237 -121.88893 859.19568
|
|
2830.0000 -125.92722 -119.57745 6.34977 2.53212 -120.62261 912.83045
|
|
2835.0000 -126.45807 -119.66147 6.79660 2.56647 -120.13791 907.65190
|
|
2840.0000 -126.61544 -119.72047 6.89498 2.57847 -119.96865 913.08633
|
|
2845.0000 -125.90598 -119.29498 6.61100 2.58343 -119.89861 927.93533
|
|
2850.0000 -127.02784 -120.39802 6.62982 2.52698 -120.69514 893.60718
|
|
2855.0000 -124.61947 -119.42285 5.19662 2.58427 -119.88678 924.03817
|
|
2860.0000 -124.69573 -119.10379 5.59194 2.65836 -118.84142 980.81525
|
|
2865.0000 -126.67683 -121.54336 5.13347 2.54673 -120.41640 878.67177
|
|
2870.0000 -127.64010 -121.56064 6.07945 2.46565 -121.56045 805.73022
|
|
2875.0000 -127.07445 -121.25984 5.81461 2.52178 -120.76845 860.99726
|
|
2880.0000 -126.91352 -120.53029 6.38323 2.50723 -120.97379 849.10189
|
|
2885.0000 -125.63795 -119.16559 6.47237 2.58970 -119.81022 927.14518
|
|
2890.0000 -126.72141 -120.97095 5.75046 2.57138 -120.06870 923.18526
|
|
2895.0000 -128.37999 -122.25280 6.12720 2.43267 -122.02580 809.06077
|
|
2900.0000 -127.56025 -121.42611 6.13414 2.50588 -120.99284 890.96571
|
|
2905.0000 -126.24859 -120.48202 5.76657 2.47840 -121.38054 873.29010
|
|
2910.0000 -128.55201 -123.23353 5.31849 2.49778 -121.10709 828.21525
|
|
2915.0000 -127.08032 -121.31030 5.77002 2.44313 -121.87816 799.83230
|
|
2920.0000 -127.59955 -120.36222 7.23733 2.54703 -120.41216 894.53805
|
|
2925.0000 -126.21568 -120.33600 5.87967 2.59009 -119.80468 909.55483
|
|
2930.0000 -127.16115 -121.03887 6.12227 2.52549 -120.71610 898.98160
|
|
2935.0000 -126.86426 -120.17943 6.68482 2.50648 -120.98441 875.50900
|
|
2940.0000 -127.56344 -120.72544 6.83800 2.52076 -120.78290 908.11193
|
|
2945.0000 -125.83251 -119.00469 6.82782 2.56607 -120.14360 903.55885
|
|
2950.0000 -127.21728 -121.04458 6.17270 2.56802 -120.11610 944.30231
|
|
2955.0000 -127.27856 -121.27973 5.99882 2.49017 -121.21456 884.12354
|
|
2960.0000 -127.23364 -122.16244 5.07120 2.48059 -121.34960 813.89998
|
|
2965.0000 -126.19314 -120.92368 5.26946 2.39820 -122.51215 798.69682
|
|
2970.0000 -126.55083 -120.46793 6.08289 2.54254 -120.47557 920.54200
|
|
2975.0000 -128.03870 -122.57607 5.46263 2.46310 -121.59641 867.46864
|
|
2980.0000 -128.50041 -122.76389 5.73652 2.38998 -122.62808 785.82420
|
|
2985.0000 -127.13258 -122.42770 4.70487 2.40157 -122.46461 767.68109
|
|
2990.0000 -128.72298 -122.40675 6.31624 2.38776 -122.65944 797.34515
|
|
2995.0000 -128.84564 -123.45761 5.38803 2.39839 -122.50949 812.41310
|
|
3000.0000 -127.01942 -122.08383 4.93559 2.36976 -122.91340 754.30782
|
|
FREEZING PROCESS: loop number 13 T-loop= 852.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 852.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.39407 1.46815 -0.06897
|
|
force_rgl> df(natom) 0.51679 -2.14528 -1.25845
|
|
3005.0000 -126.57786 -120.82717 5.75069 2.48450 -121.29453 831.32215
|
|
3010.0000 -126.94859 -121.81937 5.12922 2.46934 -121.50846 831.52166
|
|
3015.0000 -127.53351 -120.92275 6.61076 2.49026 -121.21324 816.31824
|
|
3020.0000 -127.57532 -122.15232 5.42299 2.45631 -121.69228 828.20482
|
|
3025.0000 -127.36098 -121.92171 5.43927 2.43787 -121.95249 839.32201
|
|
3030.0000 -128.12858 -122.45593 5.67264 2.39357 -122.57751 822.92799
|
|
3035.0000 -127.60055 -121.24356 6.35699 2.47009 -121.49780 839.93834
|
|
3040.0000 -126.60084 -119.71008 6.89076 2.57423 -120.02847 921.28141
|
|
3045.0000 -126.49577 -119.38751 7.10826 2.55150 -120.34916 888.57790
|
|
3050.0000 -127.67974 -122.67577 5.00398 2.47347 -121.45017 852.72833
|
|
3055.0000 -126.96512 -121.45845 5.50667 2.41061 -122.33700 779.47493
|
|
3060.0000 -127.51509 -122.67356 4.84153 2.39577 -122.54649 782.18802
|
|
3065.0000 -127.72708 -121.81326 5.91382 2.43954 -121.92890 837.11403
|
|
3070.0000 -127.67566 -121.47368 6.20198 2.39873 -122.50474 804.43780
|
|
3075.0000 -125.90916 -119.65415 6.25502 2.56006 -120.22841 924.79185
|
|
3080.0000 -127.08674 -120.49458 6.59216 2.58835 -119.82922 906.52518
|
|
3085.0000 -127.65619 -122.52138 5.13481 2.48600 -121.27332 842.19734
|
|
3090.0000 -127.31931 -121.21969 6.09962 2.41941 -122.21284 791.90050
|
|
3095.0000 -129.12643 -123.83738 5.28905 2.36812 -122.93662 765.34258
|
|
3100.0000 -128.20711 -123.33045 4.87667 2.31157 -123.73448 715.13529
|
|
3105.0000 -128.26448 -123.01088 5.25360 2.27074 -124.31059 717.47060
|
|
3110.0000 -126.88319 -122.40403 4.47916 2.39906 -122.49998 827.82901
|
|
3115.0000 -127.62018 -122.57421 5.04597 2.39190 -122.60108 802.89224
|
|
3120.0000 -129.45726 -122.20305 7.25421 2.38855 -122.64827 792.05743
|
|
3125.0000 -128.44217 -123.29995 5.14222 2.35483 -123.12415 772.02228
|
|
3130.0000 -127.64036 -121.30354 6.33681 2.39740 -122.52339 772.45372
|
|
3135.0000 -128.30650 -121.17637 7.13013 2.52190 -120.76677 896.58417
|
|
3140.0000 -126.20166 -120.56100 5.64066 2.51240 -120.90089 874.49556
|
|
3145.0000 -125.36008 -119.31343 6.04665 2.60052 -119.65751 945.85009
|
|
3150.0000 -126.10083 -120.08939 6.01145 2.62724 -119.28044 962.98294
|
|
3155.0000 -127.33772 -120.74023 6.59749 2.55755 -120.26373 898.80235
|
|
3160.0000 -125.82575 -120.87250 4.95325 2.53531 -120.57764 869.22967
|
|
3165.0000 -126.68402 -120.73928 5.94474 2.50918 -120.94633 862.87110
|
|
3170.0000 -126.96414 -121.56964 5.39450 2.53970 -120.51568 881.29951
|
|
3175.0000 -127.35132 -121.68181 5.66951 2.48254 -121.32213 852.79894
|
|
3180.0000 -126.67233 -120.54135 6.13098 2.51075 -120.92416 874.09645
|
|
3185.0000 -126.96231 -121.22455 5.73776 2.52041 -120.78776 839.22482
|
|
3190.0000 -126.43791 -119.71934 6.71857 2.55069 -120.36062 902.90938
|
|
3195.0000 -126.13002 -120.00175 6.12826 2.64263 -119.06337 962.19768
|
|
3200.0000 -126.52799 -119.93387 6.59412 2.60159 -119.64241 958.99623
|
|
3205.0000 -127.41265 -119.67460 7.73805 2.56000 -120.22925 891.64640
|
|
3210.0000 -126.65551 -120.24506 6.41045 2.59115 -119.78967 962.27914
|
|
3215.0000 -126.73924 -119.97864 6.76060 2.53939 -120.52007 884.26920
|
|
3220.0000 -127.64826 -121.25232 6.39594 2.48871 -121.23507 855.73799
|
|
3225.0000 -127.40509 -121.72080 5.68429 2.46593 -121.55654 884.32232
|
|
3230.0000 -127.51251 -121.13927 6.37324 2.48465 -121.29238 850.43298
|
|
3235.0000 -127.94856 -121.42704 6.52152 2.46046 -121.63367 830.89183
|
|
3240.0000 -126.51929 -120.19375 6.32554 2.52311 -120.74977 884.09744
|
|
3245.0000 -127.14611 -120.81264 6.33347 2.52890 -120.66806 879.19820
|
|
3250.0000 -127.18520 -121.27984 5.90536 2.50825 -120.95937 860.55984
|
|
FREEZING PROCESS: loop number 14 T-loop= 827.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 827.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.17095 0.47205 -0.26517
|
|
force_rgl> df(natom) -5.20268 -3.14073 -1.17074
|
|
3255.0000 -128.27947 -122.30909 5.97039 2.43666 -121.96946 813.96279
|
|
3260.0000 -128.10589 -123.01558 5.09031 2.36965 -122.91492 756.10571
|
|
3265.0000 -127.17292 -121.20178 5.97114 2.41248 -122.31062 792.24401
|
|
3270.0000 -126.84384 -121.61169 5.23215 2.46702 -121.54112 862.60952
|
|
3275.0000 -127.66602 -122.24874 5.41728 2.41213 -122.31555 787.95692
|
|
3280.0000 -127.38865 -121.97989 5.40876 2.41916 -122.21636 806.86360
|
|
3285.0000 -126.76367 -121.47975 5.28391 2.44585 -121.83985 832.85613
|
|
3290.0000 -127.30589 -121.44921 5.85669 2.44380 -121.86871 803.51936
|
|
3295.0000 -127.38771 -120.81570 6.57200 2.50844 -120.95673 847.26338
|
|
3300.0000 -127.97700 -122.73279 5.24421 2.44428 -121.86193 847.48775
|
|
3305.0000 -126.94667 -121.04338 5.90329 2.44158 -121.90011 834.54656
|
|
3310.0000 -127.88759 -121.11174 6.77584 2.46570 -121.55972 868.38520
|
|
3315.0000 -126.86763 -120.50940 6.35823 2.46517 -121.56728 851.77889
|
|
3320.0000 -126.86688 -121.22185 5.64504 2.46629 -121.55142 859.79482
|
|
3325.0000 -126.98479 -121.14217 5.84262 2.47552 -121.42125 843.98038
|
|
3330.0000 -128.59084 -123.34700 5.24383 2.42507 -122.13296 813.99011
|
|
3335.0000 -126.46810 -121.64417 4.82392 2.39931 -122.49646 793.16404
|
|
3340.0000 -127.17077 -122.22882 4.94195 2.45924 -121.65086 817.81291
|
|
3345.0000 -127.19811 -121.39389 5.80422 2.44719 -121.82087 825.32394
|
|
3350.0000 -125.91240 -120.37162 5.54077 2.46863 -121.51845 821.83542
|
|
3355.0000 -127.38357 -122.52049 4.86308 2.44600 -121.83775 814.47070
|
|
3360.0000 -127.84048 -122.38015 5.46033 2.39991 -122.48797 803.20010
|
|
3365.0000 -126.89327 -121.74898 5.14429 2.46398 -121.58405 853.87379
|
|
3370.0000 -125.46957 -120.46377 5.00580 2.48460 -121.29302 845.50544
|
|
3375.0000 -126.49631 -119.88657 6.60974 2.55125 -120.35270 878.23120
|
|
3380.0000 -127.47605 -121.44660 6.02946 2.52921 -120.66367 888.55486
|
|
3385.0000 -125.63815 -119.97220 5.66594 2.50630 -120.98694 875.86902
|
|
3390.0000 -126.52711 -120.67123 5.85587 2.55208 -120.34096 893.42206
|
|
3395.0000 -126.44621 -121.31709 5.12912 2.50822 -120.95982 868.09348
|
|
3400.0000 -126.54799 -120.01905 6.52894 2.53628 -120.56383 850.81305
|
|
3405.0000 -127.11655 -121.65223 5.46432 2.50219 -121.04487 846.15596
|
|
3410.0000 -128.70754 -121.91407 6.79347 2.46050 -121.63316 820.54199
|
|
3415.0000 -126.55383 -121.62431 4.92952 2.41139 -122.32603 794.64161
|
|
3420.0000 -126.81199 -121.96476 4.84723 2.47696 -121.40085 831.71635
|
|
3425.0000 -127.10322 -122.16607 4.93715 2.44226 -121.89051 809.82470
|
|
3430.0000 -128.26397 -120.99984 7.26413 2.42400 -122.14814 819.84604
|
|
3435.0000 -128.51863 -122.49344 6.02519 2.52058 -120.78542 892.95786
|
|
3440.0000 -128.14034 -122.43109 5.70925 2.38469 -122.70279 813.99266
|
|
3445.0000 -127.39752 -121.59547 5.80205 2.46463 -121.57492 867.56820
|
|
3450.0000 -127.39010 -121.38230 6.00780 2.43494 -121.99372 827.40695
|
|
3455.0000 -127.31122 -121.44663 5.86459 2.42859 -122.08341 777.54645
|
|
3460.0000 -127.20543 -121.12542 6.08001 2.45490 -121.71212 843.83275
|
|
3465.0000 -127.21780 -120.74709 6.47071 2.46228 -121.60800 820.18150
|
|
3470.0000 -126.35142 -119.70793 6.64349 2.53443 -120.58993 883.08494
|
|
3475.0000 -128.17770 -122.51041 5.66729 2.48395 -121.30229 877.34700
|
|
3480.0000 -127.73541 -122.81848 4.91693 2.42188 -122.17799 816.99159
|
|
3485.0000 -129.24728 -124.68203 4.56525 2.33873 -123.35122 746.71098
|
|
3490.0000 -127.96639 -123.17289 4.79350 2.29664 -123.94514 716.20645
|
|
3495.0000 -128.42106 -122.55361 5.86745 2.35970 -123.05545 743.25815
|
|
3500.0000 -128.42453 -122.15285 6.27168 2.48082 -121.34647 846.86841
|
|
FREEZING PROCESS: loop number 15 T-loop= 802.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 802.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.02382 1.86296 -4.37087
|
|
force_rgl> df(natom) 0.44257 3.24978 4.89789
|
|
3505.0000 -126.87461 -121.79852 5.07609 2.40242 -122.45267 797.75584
|
|
3510.0000 -128.26639 -123.54875 4.71765 2.34564 -123.25382 743.22337
|
|
3515.0000 -128.22363 -123.85719 4.36644 2.33609 -123.38846 742.33051
|
|
3520.0000 -127.37109 -121.44870 5.92240 2.36113 -123.03515 791.58119
|
|
3525.0000 -127.06115 -120.47548 6.58567 2.54265 -120.47402 896.64345
|
|
3530.0000 -125.82190 -120.23519 5.58672 2.54145 -120.49090 856.50737
|
|
3535.0000 -125.72536 -120.27193 5.45343 2.61595 -119.43976 946.48306
|
|
3540.0000 -126.30549 -120.13313 6.17236 2.61614 -119.43706 961.52484
|
|
3545.0000 -126.62214 -121.62578 4.99636 2.55899 -120.24348 900.70376
|
|
3550.0000 -126.20687 -121.19221 5.01466 2.46586 -121.55746 782.46561
|
|
3555.0000 -127.06401 -121.06812 5.99589 2.46333 -121.59324 868.24176
|
|
3560.0000 -128.49022 -122.72704 5.76319 2.45606 -121.69571 828.80714
|
|
3565.0000 -126.87856 -121.57539 5.30317 2.38266 -122.73141 755.90473
|
|
3570.0000 -127.25928 -122.84556 4.41372 2.44844 -121.80330 860.76521
|
|
3575.0000 -128.79150 -123.07506 5.71644 2.37525 -122.83600 800.02953
|
|
3580.0000 -128.87779 -123.05213 5.82566 2.36662 -122.95772 773.31975
|
|
3585.0000 -127.95978 -122.05225 5.90753 2.41826 -122.22919 797.00425
|
|
3590.0000 -128.21535 -121.89177 6.32357 2.43982 -121.92497 814.84107
|
|
3595.0000 -128.94305 -123.25577 5.68729 2.38978 -122.63095 803.61654
|
|
3600.0000 -128.27631 -123.53857 4.73774 2.37179 -122.88477 790.90280
|
|
3605.0000 -128.96896 -123.86119 5.10777 2.29909 -123.91062 719.27756
|
|
3610.0000 -128.04299 -123.37451 4.66848 2.27369 -124.26890 694.37262
|
|
3615.0000 -128.78416 -124.04494 4.73922 2.30417 -123.83883 690.00846
|
|
3620.0000 -128.12458 -122.54040 5.58418 2.36243 -123.01689 740.07053
|
|
3625.0000 -127.60343 -122.25250 5.35093 2.37107 -122.89501 754.70289
|
|
3630.0000 -127.04467 -120.66201 6.38266 2.44675 -121.82712 807.35965
|
|
3635.0000 -128.35485 -122.85876 5.49609 2.43847 -121.94392 820.32400
|
|
3640.0000 -128.06757 -123.52144 4.54613 2.37230 -122.87758 763.14620
|
|
3645.0000 -126.51740 -121.55571 4.96169 2.41752 -122.23954 811.46637
|
|
3650.0000 -126.40970 -121.26400 5.14570 2.48153 -121.33640 818.03065
|
|
3655.0000 -127.50958 -121.71924 5.79034 2.40970 -122.34996 816.10335
|
|
3660.0000 -128.26948 -121.99281 6.27667 2.39776 -122.51833 798.12474
|
|
3665.0000 -129.00752 -122.87922 6.12829 2.35316 -123.14761 724.12036
|
|
3670.0000 -127.67523 -121.94145 5.73378 2.42181 -122.17900 811.71287
|
|
3675.0000 -128.08719 -121.05374 7.03346 2.42273 -122.16610 819.59042
|
|
3680.0000 -127.58179 -121.44763 6.13416 2.46542 -121.56376 834.67853
|
|
3685.0000 -127.55796 -122.21646 5.34149 2.45173 -121.75684 794.32270
|
|
3690.0000 -127.52622 -122.50672 5.01950 2.42510 -122.13255 805.11535
|
|
3695.0000 -128.92769 -122.76556 6.16213 2.37081 -122.89862 766.35065
|
|
3700.0000 -128.08407 -122.20071 5.88337 2.37046 -122.90357 776.00841
|
|
3705.0000 -127.62181 -121.03191 6.58990 2.46689 -121.54297 832.41237
|
|
3710.0000 -128.13475 -122.21951 5.91524 2.50158 -121.05353 867.63357
|
|
3715.0000 -127.09531 -122.13328 4.96203 2.41775 -122.23637 805.83013
|
|
3720.0000 -127.14627 -121.32430 5.82197 2.45588 -121.69826 819.27987
|
|
3725.0000 -127.38084 -122.14100 5.23984 2.39497 -122.55776 799.78312
|
|
3730.0000 -126.78587 -121.91470 4.87117 2.43158 -122.04123 780.17176
|
|
3735.0000 -126.93369 -122.40219 4.53150 2.41258 -122.30921 785.20370
|
|
3740.0000 -127.04586 -122.28837 4.75749 2.38001 -122.76884 748.19754
|
|
3745.0000 -129.77624 -124.35902 5.41723 2.39050 -122.62077 784.03089
|
|
3750.0000 -127.65983 -122.29650 5.36333 2.32697 -123.51723 744.35811
|
|
FREEZING PROCESS: loop number 16 T-loop= 777.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 777.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.06165 1.22793 0.40674
|
|
force_rgl> df(natom) -1.70649 0.95184 -3.25921
|
|
3755.0000 -127.14250 -121.15021 5.99228 2.46291 -121.59907 854.76001
|
|
3760.0000 -126.36039 -119.23234 7.12805 2.55425 -120.31034 966.22549
|
|
3765.0000 -127.06825 -122.46328 4.60497 2.52316 -120.74900 886.45010
|
|
3770.0000 -126.95863 -121.89775 5.06088 2.40654 -122.39454 796.23104
|
|
3775.0000 -127.41887 -122.01718 5.40168 2.46505 -121.56888 834.04374
|
|
3780.0000 -126.59217 -121.50411 5.08806 2.49029 -121.21278 835.60343
|
|
3785.0000 -127.69821 -122.02318 5.67503 2.44354 -121.87240 813.26805
|
|
3790.0000 -128.65039 -122.84873 5.80166 2.42496 -122.13458 836.17603
|
|
3795.0000 -128.67207 -123.16185 5.51022 2.33606 -123.38894 748.06398
|
|
3800.0000 -127.94091 -123.05410 4.88681 2.36797 -122.93866 793.45064
|
|
3805.0000 -127.47516 -122.98541 4.48975 2.35195 -123.16477 772.72796
|
|
3810.0000 -127.01328 -121.07315 5.94013 2.47982 -121.36046 871.80568
|
|
3815.0000 -127.36764 -121.94523 5.42241 2.44356 -121.87213 835.71630
|
|
3820.0000 -128.20237 -123.58005 4.62233 2.37192 -122.88297 763.18071
|
|
3825.0000 -128.12759 -123.16851 4.95909 2.34862 -123.21168 767.17054
|
|
3830.0000 -127.47047 -122.30474 5.16573 2.40588 -122.40377 791.18435
|
|
3835.0000 -127.87963 -123.82641 4.05322 2.35139 -123.17260 734.25643
|
|
3840.0000 -128.44914 -122.91639 5.53275 2.37602 -122.82504 751.02474
|
|
3845.0000 -127.12613 -122.77632 4.34981 2.38276 -122.73004 788.96658
|
|
3850.0000 -127.24938 -121.76297 5.48641 2.43290 -122.02250 822.20188
|
|
3855.0000 -127.61980 -121.77978 5.84003 2.44551 -121.84464 827.44690
|
|
3860.0000 -127.31161 -121.51740 5.79421 2.45244 -121.74680 785.14268
|
|
3865.0000 -128.38776 -122.73304 5.65471 2.36525 -122.97703 787.46248
|
|
3870.0000 -128.86086 -124.51589 4.34496 2.31166 -123.73316 715.84620
|
|
3875.0000 -128.29709 -123.72334 4.57375 2.27586 -124.23829 697.01687
|
|
3880.0000 -129.01206 -123.33982 5.67224 2.32698 -123.51705 726.84294
|
|
3885.0000 -128.38451 -122.92314 5.46136 2.37157 -122.88783 780.79348
|
|
3890.0000 -129.69077 -124.30847 5.38230 2.33597 -123.39024 758.32055
|
|
3895.0000 -129.44486 -123.88267 5.56219 2.29233 -124.00589 707.46238
|
|
3900.0000 -128.98163 -123.17656 5.80508 2.31985 -123.61761 715.02546
|
|
3905.0000 -128.95897 -123.30553 5.65343 2.37794 -122.79809 766.13447
|
|
3910.0000 -128.86497 -123.88231 4.98266 2.33613 -123.38793 751.99803
|
|
3915.0000 -127.56251 -122.61522 4.94729 2.34378 -123.27999 773.39949
|
|
3920.0000 -127.55014 -121.85917 5.69098 2.39882 -122.50337 799.99179
|
|
3925.0000 -128.06133 -121.97949 6.08184 2.38690 -122.67153 801.67710
|
|
3930.0000 -128.73487 -123.95194 4.78294 2.38730 -122.66590 790.80942
|
|
3935.0000 -129.42115 -124.35894 5.06222 2.36762 -122.94367 770.15771
|
|
3940.0000 -128.15360 -122.94853 5.20507 2.30607 -123.81204 731.91225
|
|
3945.0000 -128.80415 -123.59784 5.20631 2.33608 -123.38870 746.84960
|
|
3950.0000 -128.81696 -123.70482 5.11214 2.32859 -123.49429 753.18520
|
|
3955.0000 -127.85418 -123.32388 4.53030 2.31386 -123.70223 752.81265
|
|
3960.0000 -126.53376 -120.97236 5.56140 2.43234 -122.03048 788.97937
|
|
3965.0000 -126.91370 -121.31174 5.60196 2.47583 -121.41688 824.95671
|
|
3970.0000 -126.74748 -121.23909 5.50839 2.45774 -121.67211 840.93085
|
|
3975.0000 -127.21064 -121.19075 6.01989 2.47967 -121.36270 860.64475
|
|
3980.0000 -126.51874 -120.23016 6.28857 2.49492 -121.14747 848.39966
|
|
3985.0000 -126.26709 -120.21496 6.05213 2.56201 -120.20084 915.28910
|
|
3990.0000 -126.96982 -121.85714 5.11268 2.47611 -121.41287 818.43465
|
|
3995.0000 -127.38749 -122.06576 5.32172 2.47092 -121.48611 836.82412
|
|
4000.0000 -127.23271 -121.95455 5.27817 2.41187 -122.31933 786.49774
|
|
FREEZING PROCESS: loop number 17 T-loop= 752.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 752.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.81056 -0.02618 1.66918
|
|
force_rgl> df(natom) 1.14929 1.51872 1.61027
|
|
4005.0000 -128.20869 -123.06453 5.14416 2.40413 -122.42846 803.53251
|
|
4010.0000 -128.55847 -122.78005 5.77842 2.31022 -123.75358 729.73005
|
|
4015.0000 -129.00169 -124.43028 4.57141 2.30863 -123.77592 706.49286
|
|
4020.0000 -129.04338 -123.47697 5.56642 2.28736 -124.07611 747.37817
|
|
4025.0000 -128.90446 -123.75679 5.14767 2.32359 -123.56484 760.20600
|
|
4030.0000 -129.54784 -123.98406 5.56378 2.30935 -123.76575 731.79356
|
|
4035.0000 -127.80012 -123.28412 4.51600 2.27930 -124.18987 717.43529
|
|
4040.0000 -128.33093 -123.15125 5.17968 2.36788 -122.94001 734.61591
|
|
4045.0000 -128.16826 -122.27849 5.88977 2.35488 -123.12341 738.70103
|
|
4050.0000 -128.10410 -123.23185 4.87225 2.39451 -122.56419 756.67674
|
|
4055.0000 -127.27086 -121.76568 5.50518 2.43165 -122.04025 767.07747
|
|
4060.0000 -126.85714 -121.51210 5.34504 2.48246 -121.32325 818.85509
|
|
4065.0000 -127.90909 -122.13705 5.77204 2.45389 -121.72632 843.99649
|
|
4070.0000 -127.25316 -122.08319 5.16998 2.47211 -121.46926 810.17110
|
|
4075.0000 -127.98212 -122.83192 5.15020 2.38492 -122.69958 775.23566
|
|
4080.0000 -128.44482 -123.37476 5.07006 2.35909 -123.06406 757.20041
|
|
4085.0000 -128.65319 -123.30100 5.35218 2.32660 -123.52240 717.17765
|
|
4090.0000 -126.88095 -121.67216 5.20880 2.38782 -122.65868 796.14215
|
|
4095.0000 -126.93440 -121.35949 5.57491 2.47207 -121.46983 844.27740
|
|
4100.0000 -127.45206 -122.49003 4.96203 2.48538 -121.28207 850.15456
|
|
4105.0000 -126.93844 -120.25045 6.68799 2.46360 -121.58941 830.73173
|
|
4110.0000 -125.88794 -120.27593 5.61201 2.51318 -120.88979 862.92281
|
|
4115.0000 -126.71182 -121.39035 5.32148 2.54606 -120.42583 897.24878
|
|
4120.0000 -127.83715 -122.26555 5.57161 2.42519 -122.13138 790.46312
|
|
4125.0000 -128.26260 -123.09975 5.16286 2.40652 -122.39476 808.94783
|
|
4130.0000 -128.67911 -124.84005 3.83906 2.28746 -124.07463 723.90151
|
|
4135.0000 -128.96244 -124.77877 4.18367 2.22351 -124.97696 663.73110
|
|
4140.0000 -128.42762 -123.48381 4.94381 2.26972 -124.32497 688.06850
|
|
4145.0000 -127.78366 -122.53301 5.25065 2.36560 -122.97210 806.17651
|
|
4150.0000 -128.06567 -123.47171 4.59397 2.36775 -122.94183 775.99100
|
|
4155.0000 -128.61910 -123.44198 5.17712 2.34123 -123.31593 733.27778
|
|
4160.0000 -128.96621 -124.53756 4.42866 2.26883 -124.33755 690.64977
|
|
4165.0000 -130.27712 -125.39446 4.88267 2.19306 -125.40667 642.15067
|
|
4170.0000 -129.51979 -124.16704 5.35275 2.26137 -124.44273 668.20256
|
|
4175.0000 -127.55104 -122.03285 5.51820 2.34959 -123.19807 758.97283
|
|
4180.0000 -128.56314 -122.93271 5.63043 2.34918 -123.20383 743.62129
|
|
4185.0000 -129.35926 -124.95826 4.40100 2.27985 -124.18200 741.53493
|
|
4190.0000 -128.36469 -123.51524 4.84945 2.34731 -123.23021 753.93994
|
|
4195.0000 -129.02275 -122.99670 6.02605 2.36139 -123.03150 743.84443
|
|
4200.0000 -128.90198 -124.27389 4.62809 2.35460 -123.12739 757.59002
|
|
4205.0000 -128.36986 -122.99572 5.37414 2.32266 -123.57805 744.77612
|
|
4210.0000 -128.66141 -123.99129 4.67012 2.32836 -123.49759 744.51329
|
|
4215.0000 -128.64133 -123.17910 5.46223 2.30794 -123.78568 732.39398
|
|
4220.0000 -127.86830 -122.88923 4.97906 2.32417 -123.55664 727.17742
|
|
4225.0000 -128.46729 -123.81184 4.65545 2.32578 -123.53397 749.62928
|
|
4230.0000 -128.72827 -123.25114 5.47713 2.33016 -123.47213 772.24851
|
|
4235.0000 -128.34930 -123.46490 4.88441 2.36392 -122.99582 755.96590
|
|
4240.0000 -128.26190 -122.97279 5.28912 2.34791 -123.22172 762.71626
|
|
4245.0000 -128.11655 -122.49987 5.61668 2.40925 -122.35623 816.52916
|
|
4250.0000 -127.78596 -123.07387 4.71209 2.37414 -122.85158 743.15347
|
|
FREEZING PROCESS: loop number 18 T-loop= 727.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 727.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.58558 1.42140 1.08482
|
|
force_rgl> df(natom) 0.35357 1.19168 -0.06257
|
|
4255.0000 -128.33274 -124.47805 3.85470 2.32844 -123.49646 728.03219
|
|
4260.0000 -130.09118 -125.41773 4.67345 2.24420 -124.68505 668.77524
|
|
4265.0000 -129.44584 -125.04738 4.39845 2.21683 -125.07120 648.52094
|
|
4270.0000 -128.85808 -123.72587 5.13221 2.28871 -124.05698 716.31225
|
|
4275.0000 -129.03095 -123.87780 5.15315 2.32150 -123.59442 728.83993
|
|
4280.0000 -128.82901 -123.77723 5.05178 2.30115 -123.88150 696.90842
|
|
4285.0000 -129.51183 -124.49724 5.01459 2.23710 -124.78517 666.90198
|
|
4290.0000 -127.60596 -123.34603 4.25993 2.29420 -123.97954 732.89864
|
|
4295.0000 -127.10924 -122.43038 4.67887 2.34721 -123.23165 742.20551
|
|
4300.0000 -128.40217 -124.12513 4.27704 2.35649 -123.10071 752.73830
|
|
4305.0000 -129.55403 -125.37331 4.18073 2.23312 -124.84143 656.46148
|
|
4310.0000 -128.58704 -122.90569 5.68136 2.31375 -123.70376 737.52482
|
|
4315.0000 -128.56848 -122.88684 5.68163 2.38928 -122.63804 789.05595
|
|
4320.0000 -126.89647 -120.83039 6.06609 2.42298 -122.16259 819.63431
|
|
4325.0000 -127.64238 -123.18801 4.45437 2.43749 -121.95784 808.17742
|
|
4330.0000 -129.36143 -122.76355 6.59789 2.34826 -123.21675 773.05402
|
|
4335.0000 -128.50717 -123.65057 4.85660 2.35770 -123.08365 763.18798
|
|
4340.0000 -128.61462 -123.69197 4.92265 2.29385 -123.98454 689.15819
|
|
4345.0000 -128.84009 -123.18547 5.65461 2.29575 -123.95770 719.31379
|
|
4350.0000 -128.81211 -124.33953 4.47258 2.34345 -123.28470 740.06760
|
|
4355.0000 -129.31207 -125.10990 4.20217 2.25731 -124.50014 673.75935
|
|
4360.0000 -129.18445 -124.63473 4.54972 2.18987 -125.45161 635.62303
|
|
4365.0000 -128.06022 -123.20513 4.85508 2.28170 -124.15598 693.80865
|
|
4370.0000 -130.16479 -125.36809 4.79670 2.29037 -124.03363 715.72822
|
|
4375.0000 -129.78372 -124.93064 4.85308 2.22203 -124.99791 658.23419
|
|
4380.0000 -129.61797 -124.28101 5.33696 2.27030 -124.31677 698.21114
|
|
4385.0000 -130.24598 -125.90526 4.34071 2.24627 -124.65579 676.98047
|
|
4390.0000 -130.17484 -125.41635 4.75849 2.16460 -125.80811 602.62065
|
|
4395.0000 -128.81654 -122.95848 5.85807 2.28543 -124.10333 714.47527
|
|
4400.0000 -127.47760 -122.40077 5.07684 2.40594 -122.40296 805.43726
|
|
4405.0000 -127.99298 -122.38690 5.60608 2.42471 -122.13810 811.33838
|
|
4410.0000 -129.03741 -122.87751 6.15990 2.34302 -123.29075 753.66153
|
|
4415.0000 -128.57471 -123.58594 4.98877 2.30538 -123.82178 725.96344
|
|
4420.0000 -128.87614 -124.58267 4.29347 2.28716 -124.07893 704.14309
|
|
4425.0000 -128.17463 -123.05526 5.11937 2.29425 -123.97891 717.05791
|
|
4430.0000 -128.12914 -122.46219 5.66695 2.38409 -122.71118 765.65189
|
|
4435.0000 -128.81025 -123.39276 5.41750 2.34629 -123.24456 772.61336
|
|
4440.0000 -127.67729 -123.27055 4.40674 2.33133 -123.45561 757.84011
|
|
4445.0000 -128.23502 -122.72091 5.51410 2.32225 -123.58383 737.68983
|
|
4450.0000 -128.52352 -123.05006 5.47346 2.39595 -122.54392 807.28904
|
|
4455.0000 -128.21261 -122.18127 6.03134 2.42411 -122.14651 806.67851
|
|
4460.0000 -126.76883 -121.63991 5.12892 2.44792 -121.81062 852.77594
|
|
4465.0000 -129.28649 -123.21973 6.06676 2.40482 -122.41875 779.72036
|
|
4470.0000 -129.05186 -124.65037 4.40150 2.29836 -123.92090 705.26348
|
|
4475.0000 -129.29495 -124.84873 4.44622 2.24900 -124.61730 673.76967
|
|
4480.0000 -127.56808 -123.11353 4.45455 2.32068 -123.60601 713.89085
|
|
4485.0000 -127.51489 -121.47839 6.03651 2.39561 -122.54867 771.24430
|
|
4490.0000 -127.03216 -121.90421 5.12795 2.44976 -121.78473 815.54469
|
|
4495.0000 -129.10325 -123.45445 5.64880 2.34961 -123.19776 753.16622
|
|
4500.0000 -128.73124 -124.28266 4.44859 2.28197 -124.15209 706.13409
|
|
FREEZING PROCESS: loop number 19 T-loop= 702.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 702.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.26986 1.58235 -0.68985
|
|
force_rgl> df(natom) -1.80691 0.85243 2.35406
|
|
4505.0000 -129.49948 -124.99056 4.50892 2.24839 -124.62588 682.73135
|
|
4510.0000 -129.07605 -124.41688 4.65917 2.24662 -124.65096 657.19851
|
|
4515.0000 -130.34368 -125.69835 4.64533 2.22455 -124.96229 667.47085
|
|
4520.0000 -130.60836 -126.29773 4.31063 2.15590 -125.93094 636.52575
|
|
4525.0000 -130.22282 -125.39168 4.83115 2.14913 -126.02643 599.19947
|
|
4530.0000 -128.97845 -124.84671 4.13173 2.23899 -124.75861 665.00689
|
|
4535.0000 -126.81543 -122.52152 4.29391 2.35467 -123.12634 755.31739
|
|
4540.0000 -129.09742 -124.43549 4.66192 2.34375 -123.28047 750.98175
|
|
4545.0000 -128.85903 -123.71249 5.14654 2.33608 -123.38871 761.26412
|
|
4550.0000 -128.29391 -122.70913 5.58477 2.37013 -122.90823 787.82540
|
|
4555.0000 -127.31835 -123.28444 4.03390 2.36740 -122.94676 751.42377
|
|
4560.0000 -129.25806 -122.98261 6.27545 2.34971 -123.19636 744.06555
|
|
4565.0000 -128.40433 -122.64734 5.75699 2.40197 -122.45901 781.61360
|
|
4570.0000 -128.53451 -122.94336 5.59115 2.35353 -123.14239 727.89278
|
|
4575.0000 -128.07239 -123.74321 4.32918 2.34741 -123.22886 762.22109
|
|
4580.0000 -129.33850 -125.16776 4.17073 2.25220 -124.57214 683.47688
|
|
4585.0000 -129.51229 -124.52052 4.99177 2.17559 -125.65309 615.26292
|
|
4590.0000 -129.11406 -124.97863 4.13543 2.26211 -124.43238 719.85002
|
|
4595.0000 -127.95212 -123.36050 4.59162 2.27930 -124.18982 724.57486
|
|
4600.0000 -128.52129 -123.89586 4.62543 2.31701 -123.65779 756.94874
|
|
4605.0000 -127.74943 -123.85976 3.88967 2.30567 -123.81766 710.60321
|
|
4610.0000 -128.44355 -122.79579 5.64776 2.31708 -123.65669 717.14002
|
|
4615.0000 -128.50422 -123.68803 4.81619 2.36527 -122.97675 770.09829
|
|
4620.0000 -129.30083 -124.32248 4.97835 2.26979 -124.32395 678.02494
|
|
4625.0000 -128.14596 -123.08089 5.06507 2.33704 -123.37515 738.79672
|
|
4630.0000 -128.99453 -123.91736 5.07717 2.35611 -123.10607 778.22886
|
|
4635.0000 -129.09654 -125.14496 3.95158 2.21599 -125.08311 649.01071
|
|
4640.0000 -129.17637 -124.10139 5.07499 2.22820 -124.91083 629.64217
|
|
4645.0000 -128.72711 -123.58085 5.14625 2.29081 -124.02740 673.45429
|
|
4650.0000 -129.17884 -123.09609 6.08276 2.35710 -123.09205 735.65029
|
|
4655.0000 -128.68170 -123.74813 4.93357 2.30112 -123.88197 703.34628
|
|
4660.0000 -130.22197 -125.53129 4.69067 2.24558 -124.66562 677.96033
|
|
4665.0000 -129.04777 -125.28342 3.76435 2.22399 -124.97027 646.25335
|
|
4670.0000 -130.59334 -126.11674 4.47661 2.20490 -125.23950 643.33622
|
|
4675.0000 -128.63464 -123.68752 4.94712 2.21167 -125.14398 650.03998
|
|
4680.0000 -127.56358 -122.19373 5.36985 2.29765 -123.93082 704.12788
|
|
4685.0000 -127.72511 -122.25896 5.46615 2.39918 -122.49829 784.21985
|
|
4690.0000 -129.65699 -124.66971 4.98729 2.32216 -123.58512 722.92223
|
|
4695.0000 -128.72173 -123.47672 5.24502 2.30376 -123.84469 723.82257
|
|
4700.0000 -126.69453 -121.72032 4.97421 2.35995 -123.05190 754.56594
|
|
4705.0000 -129.15978 -123.57915 5.58062 2.43914 -121.93449 847.92313
|
|
4710.0000 -127.56331 -122.09214 5.47117 2.33104 -123.45981 772.92891
|
|
4715.0000 -129.20556 -124.92312 4.28245 2.29341 -123.99077 705.42716
|
|
4720.0000 -128.43538 -122.60858 5.82679 2.27916 -124.19177 676.73167
|
|
4725.0000 -128.48797 -123.71488 4.77308 2.35870 -123.06951 771.95782
|
|
4730.0000 -128.49187 -124.03137 4.46051 2.31550 -123.67909 700.80971
|
|
4735.0000 -128.87544 -123.66062 5.21482 2.34606 -123.24789 757.19931
|
|
4740.0000 -128.61950 -123.92909 4.69041 2.31033 -123.75202 731.24716
|
|
4745.0000 -128.31783 -124.43439 3.88344 2.27118 -124.30430 701.71779
|
|
4750.0000 -128.71802 -123.49610 5.22192 2.27988 -124.18164 723.99224
|
|
FREEZING PROCESS: loop number 20 T-loop= 677.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 677.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.35931 2.25479 -0.99905
|
|
force_rgl> df(natom) -6.48937 -2.99980 1.62494
|
|
4755.0000 -128.77106 -124.26162 4.50944 2.31100 -123.74246 741.14279
|
|
4760.0000 -128.33378 -123.31774 5.01604 2.27685 -124.22432 685.61814
|
|
4765.0000 -130.16199 -125.38297 4.77902 2.23482 -124.81733 660.93275
|
|
4770.0000 -129.46929 -125.32525 4.14404 2.20945 -125.17530 656.99412
|
|
4775.0000 -130.15221 -125.62337 4.52884 2.18082 -125.57927 615.27793
|
|
4780.0000 -129.93484 -125.45962 4.47522 2.21313 -125.12347 662.51016
|
|
4785.0000 -128.54898 -124.12541 4.42357 2.30335 -123.85052 753.29204
|
|
4790.0000 -129.26957 -124.68873 4.58084 2.28386 -124.12547 720.08856
|
|
4795.0000 -130.04186 -125.57190 4.46996 2.23908 -124.75723 672.19820
|
|
4800.0000 -128.74815 -124.35611 4.39204 2.22279 -124.98708 671.52211
|
|
4805.0000 -129.00651 -124.08769 4.91882 2.29588 -123.95585 705.58607
|
|
4810.0000 -130.19048 -124.85153 5.33895 2.26962 -124.32642 677.44899
|
|
4815.0000 -129.88039 -125.43065 4.44974 2.20014 -125.30675 649.37943
|
|
4820.0000 -129.74319 -125.51465 4.22854 2.18743 -125.48605 621.84630
|
|
4825.0000 -129.61172 -125.84104 3.77068 2.18862 -125.46922 618.93216
|
|
4830.0000 -129.91253 -126.41396 3.49857 2.15651 -125.92230 604.53687
|
|
4835.0000 -129.23486 -124.40799 4.82687 2.18678 -125.49525 629.75042
|
|
4840.0000 -128.83148 -123.80544 5.02604 2.27493 -124.25149 679.96601
|
|
4845.0000 -129.56542 -125.13647 4.42895 2.24273 -124.70584 669.86035
|
|
4850.0000 -128.90706 -124.77899 4.12807 2.22269 -124.98861 692.12195
|
|
4855.0000 -129.48712 -124.97703 4.51008 2.24488 -124.67544 694.89133
|
|
4860.0000 -130.04920 -125.16043 4.88877 2.23442 -124.82305 656.75299
|
|
4865.0000 -128.43750 -123.85738 4.58012 2.22528 -124.95204 659.69327
|
|
4870.0000 -129.09959 -124.85710 4.24249 2.25347 -124.55428 696.10309
|
|
4875.0000 -129.96702 -125.10010 4.86692 2.23450 -124.82196 640.50329
|
|
4880.0000 -128.79267 -123.91563 4.87704 2.27277 -124.28195 693.37170
|
|
4885.0000 -129.16820 -124.40141 4.76679 2.25763 -124.49552 699.25497
|
|
4890.0000 -129.48544 -124.47764 5.00780 2.25002 -124.60295 681.88647
|
|
4895.0000 -129.79471 -124.92593 4.86877 2.27800 -124.20814 704.40092
|
|
4900.0000 -129.25075 -123.79067 5.46008 2.27571 -124.24044 705.78722
|
|
4905.0000 -129.04938 -124.64477 4.40462 2.28552 -124.10209 713.19370
|
|
4910.0000 -129.46933 -124.79274 4.67659 2.28684 -124.08346 694.78426
|
|
4915.0000 -129.46323 -125.07723 4.38600 2.23459 -124.82059 702.82595
|
|
4920.0000 -129.05569 -124.76468 4.29101 2.19612 -125.36351 672.53504
|
|
4925.0000 -129.89686 -125.45638 4.44048 2.19637 -125.35990 666.46158
|
|
4930.0000 -129.78200 -125.02349 4.75851 2.24966 -124.60805 709.57786
|
|
4935.0000 -129.84582 -125.08561 4.76021 2.21602 -125.08270 700.04327
|
|
4940.0000 -128.68407 -124.40504 4.27903 2.20071 -125.29867 656.57862
|
|
4945.0000 -129.12718 -124.14739 4.97979 2.23329 -124.83902 675.26937
|
|
4950.0000 -129.04479 -124.33391 4.71088 2.28873 -124.05675 703.09040
|
|
4955.0000 -130.24952 -125.51756 4.73196 2.21120 -125.15068 656.10444
|
|
4960.0000 -129.21046 -124.75142 4.45904 2.21175 -125.14287 633.89456
|
|
4965.0000 -129.59472 -125.47756 4.11716 2.19742 -125.34517 626.69302
|
|
4970.0000 -129.77483 -125.03271 4.74211 2.23159 -124.86291 667.40790
|
|
4975.0000 -128.20323 -123.92780 4.27543 2.25664 -124.50953 684.50555
|
|
4980.0000 -128.89537 -123.86264 5.03272 2.27737 -124.21703 669.34632
|
|
4985.0000 -128.25168 -123.34413 4.90756 2.34511 -123.26118 751.82275
|
|
4990.0000 -129.05966 -123.77891 5.28075 2.30243 -123.86346 726.82008
|
|
4995.0000 -128.58868 -124.64442 3.94426 2.26347 -124.41322 675.68729
|
|
5000.0000 -128.35555 -123.66251 4.69304 2.29615 -123.95212 702.08782
|
|
FREEZING PROCESS: loop number 21 T-loop= 652.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 652.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.00848 -1.08553 -1.86551
|
|
force_rgl> df(natom) 0.21858 6.30867 -1.91957
|
|
5005.0000 -129.62859 -124.36790 5.26069 2.28638 -124.08984 694.95980
|
|
5010.0000 -130.15102 -125.64924 4.50178 2.19815 -125.33473 651.28444
|
|
5015.0000 -129.67549 -125.73343 3.94206 2.14645 -126.06423 598.55475
|
|
5020.0000 -129.63968 -124.33271 5.30697 2.21225 -125.13590 661.75502
|
|
5025.0000 -130.37007 -125.37326 4.99681 2.24407 -124.68682 688.51027
|
|
5030.0000 -130.83784 -126.26557 4.57227 2.21360 -125.11685 677.87804
|
|
5035.0000 -130.83897 -126.07487 4.76410 2.10899 -126.59281 590.89501
|
|
5040.0000 -129.74924 -124.95672 4.79252 2.22774 -124.91725 695.11431
|
|
5045.0000 -129.46769 -125.03294 4.43475 2.22507 -124.95501 667.30634
|
|
5050.0000 -130.01335 -126.31215 3.70120 2.17616 -125.64503 625.31094
|
|
5055.0000 -130.23709 -125.67878 4.55831 2.16783 -125.76255 637.58552
|
|
5060.0000 -130.91273 -126.35112 4.56161 2.13794 -126.18440 589.39246
|
|
5065.0000 -128.74486 -123.73519 5.00967 2.21109 -125.15227 647.01841
|
|
5070.0000 -129.52158 -124.01273 5.50885 2.26969 -124.32537 704.03700
|
|
5075.0000 -129.31045 -123.99023 5.32022 2.28275 -124.14118 717.43440
|
|
5080.0000 -128.85959 -124.24617 4.61342 2.27785 -124.21026 700.95579
|
|
5085.0000 -128.85546 -124.25561 4.59985 2.29165 -124.01561 696.36187
|
|
5090.0000 -130.01517 -125.87197 4.14321 2.22065 -125.01732 666.45318
|
|
5095.0000 -130.95781 -125.73057 5.22724 2.15904 -125.88661 625.24307
|
|
5100.0000 -129.97481 -124.87730 5.09750 2.21693 -125.06981 691.40335
|
|
5105.0000 -129.89012 -125.32284 4.56728 2.21228 -125.13541 669.19767
|
|
5110.0000 -129.50416 -125.21768 4.28647 2.20594 -125.22485 645.56584
|
|
5115.0000 -129.24109 -125.01822 4.22287 2.21858 -125.04649 664.11834
|
|
5120.0000 -129.11197 -124.56842 4.54355 2.26262 -124.42513 688.45694
|
|
5125.0000 -129.06680 -124.47824 4.58856 2.26932 -124.33059 665.65520
|
|
5130.0000 -129.36149 -124.70421 4.65728 2.26298 -124.42014 654.46569
|
|
5135.0000 -129.24971 -124.55400 4.69571 2.26430 -124.40139 658.82574
|
|
5140.0000 -130.58481 -125.93098 4.65383 2.23338 -124.83768 668.70508
|
|
5145.0000 -129.66307 -125.60504 4.05803 2.15444 -125.95159 610.17395
|
|
5150.0000 -129.77246 -124.91072 4.86174 2.23207 -124.85622 663.15898
|
|
5155.0000 -129.08747 -123.54414 5.54333 2.26406 -124.40489 685.95733
|
|
5160.0000 -129.20261 -123.49019 5.71242 2.30377 -123.84449 702.75730
|
|
5165.0000 -128.33065 -123.97068 4.35996 2.32413 -123.55720 725.88339
|
|
5170.0000 -129.34178 -124.69759 4.64418 2.27073 -124.31068 701.19696
|
|
5175.0000 -130.50687 -126.74829 3.75858 2.17867 -125.60963 619.70297
|
|
5180.0000 -131.17311 -126.90776 4.26535 2.08528 -126.92741 562.26883
|
|
5185.0000 -130.36231 -126.85373 3.50859 2.12059 -126.42913 605.60708
|
|
5190.0000 -130.46998 -126.33937 4.13061 2.11525 -126.50444 573.04451
|
|
5195.0000 -130.58519 -125.96020 4.62498 2.12579 -126.35578 587.92148
|
|
5200.0000 -130.31227 -126.11277 4.19950 2.15020 -126.01140 630.14861
|
|
5205.0000 -130.47003 -125.10393 5.36610 2.18783 -125.48048 683.28368
|
|
5210.0000 -130.42208 -126.26833 4.15375 2.21397 -125.11161 709.84407
|
|
5215.0000 -130.24805 -125.10948 5.13858 2.21056 -125.15965 718.22486
|
|
5220.0000 -130.56325 -125.49574 5.06751 2.16251 -125.83769 692.52857
|
|
5225.0000 -130.56249 -126.31544 4.24705 2.15296 -125.97246 648.98785
|
|
5230.0000 -130.42401 -126.63522 3.78879 2.10600 -126.63506 571.08727
|
|
5235.0000 -129.87623 -125.62900 4.24723 2.14303 -126.11258 596.00719
|
|
5240.0000 -130.15851 -125.14803 5.01048 2.22923 -124.89622 644.92055
|
|
5245.0000 -128.58895 -124.25227 4.33668 2.27256 -124.28491 706.89637
|
|
5250.0000 -128.49875 -124.25799 4.24076 2.26795 -124.34991 664.86738
|
|
FREEZING PROCESS: loop number 22 T-loop= 627.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 627.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.11026 0.33135 0.41003
|
|
force_rgl> df(natom) -1.65669 -2.67191 2.43811
|
|
5255.0000 -129.89083 -124.85846 5.03237 2.23069 -124.87571 633.64531
|
|
5260.0000 -130.38955 -126.13252 4.25703 2.16950 -125.73911 638.81474
|
|
5265.0000 -130.31191 -126.06903 4.24288 2.15859 -125.89296 608.35321
|
|
5270.0000 -130.21169 -126.28595 3.92574 2.09121 -126.84364 559.21983
|
|
5275.0000 -130.86064 -127.53566 3.32499 2.09264 -126.82348 559.62114
|
|
5280.0000 -130.12323 -126.84734 3.27589 2.10692 -126.62200 572.41857
|
|
5285.0000 -130.95898 -126.91968 4.03930 2.09057 -126.85276 557.19638
|
|
5290.0000 -130.94156 -127.38395 3.55761 2.08916 -126.87264 550.41803
|
|
5295.0000 -131.44313 -127.29841 4.14472 2.03937 -127.57509 586.04097
|
|
5300.0000 -130.98217 -127.10911 3.87306 2.06305 -127.24095 610.00004
|
|
5305.0000 -130.99328 -127.52889 3.46439 2.04428 -127.50592 587.84421
|
|
5310.0000 -131.69239 -127.15720 4.53519 2.04659 -127.47329 573.83388
|
|
5315.0000 -130.96303 -126.42902 4.53401 2.10453 -126.65581 631.51759
|
|
5320.0000 -130.81250 -126.58960 4.22290 2.11644 -126.48770 642.78600
|
|
5325.0000 -131.75429 -128.40667 3.34763 2.04555 -127.48797 584.25791
|
|
5330.0000 -130.97870 -126.40407 4.57463 2.03869 -127.58467 575.39256
|
|
5335.0000 -132.17359 -127.50305 4.67054 2.07535 -127.06743 597.00574
|
|
5340.0000 -130.38979 -126.25487 4.13492 2.09554 -126.78262 599.38835
|
|
5345.0000 -130.15156 -126.62142 3.53014 2.13060 -126.28792 605.96978
|
|
5350.0000 -128.65040 -123.65431 4.99609 2.19348 -125.40068 660.91531
|
|
5355.0000 -128.89232 -124.72135 4.17097 2.25262 -124.56618 677.04648
|
|
5360.0000 -130.56744 -126.10570 4.46174 2.19177 -125.42476 632.39613
|
|
5365.0000 -129.50240 -125.25380 4.24860 2.21540 -125.09137 674.42928
|
|
5370.0000 -129.54895 -125.13787 4.41109 2.20789 -125.19742 647.66676
|
|
5375.0000 -129.75760 -125.09290 4.66470 2.20515 -125.23604 657.66562
|
|
5380.0000 -129.74973 -125.43448 4.31525 2.18019 -125.58815 631.93607
|
|
5385.0000 -130.76628 -126.41295 4.35333 2.13737 -126.19233 601.51558
|
|
5390.0000 -129.60504 -125.28822 4.31682 2.14366 -126.10366 631.44867
|
|
5395.0000 -130.62388 -126.92472 3.69916 2.15217 -125.98350 605.10034
|
|
5400.0000 -131.05273 -126.74197 4.31076 2.09007 -126.85976 562.51919
|
|
5405.0000 -130.99484 -127.15860 3.83624 2.06310 -127.24027 541.24415
|
|
5410.0000 -131.17400 -126.94144 4.23256 2.05727 -127.32255 541.14168
|
|
5415.0000 -131.03909 -127.62493 3.41416 2.05032 -127.42061 542.66041
|
|
5420.0000 -131.24292 -126.76804 4.47488 2.07361 -127.09199 551.63558
|
|
5425.0000 -130.01150 -125.22875 4.78275 2.10693 -126.62190 583.92853
|
|
5430.0000 -130.06787 -126.46887 3.59900 2.16081 -125.86167 606.40627
|
|
5435.0000 -130.21549 -126.22251 3.99298 2.11840 -126.46000 565.69790
|
|
5440.0000 -130.71969 -127.21166 3.50803 2.08909 -126.87362 561.71982
|
|
5445.0000 -129.92957 -125.92303 4.00654 2.12221 -126.40634 601.59713
|
|
5450.0000 -128.56034 -124.15299 4.40735 2.20992 -125.16867 624.33075
|
|
5455.0000 -128.84485 -124.89133 3.95352 2.25653 -124.51113 682.48510
|
|
5460.0000 -128.65030 -125.12104 3.52926 2.24624 -124.65621 691.13074
|
|
5465.0000 -129.22540 -125.15248 4.07292 2.20892 -125.18279 652.86544
|
|
5470.0000 -127.81958 -123.06042 4.75917 2.28920 -124.05015 695.17876
|
|
5475.0000 -130.16579 -126.57583 3.58996 2.21552 -125.08970 649.35286
|
|
5480.0000 -130.22772 -125.56105 4.66666 2.16352 -125.82343 620.25231
|
|
5485.0000 -129.35855 -124.95620 4.40235 2.18551 -125.51308 645.64244
|
|
5490.0000 -130.55608 -126.04655 4.50953 2.20025 -125.30516 637.21703
|
|
5495.0000 -129.35137 -125.03919 4.31218 2.18091 -125.57805 644.93843
|
|
5500.0000 -129.64176 -126.18937 3.45239 2.23092 -124.87249 702.46009
|
|
FREEZING PROCESS: loop number 23 T-loop= 602.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 602.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.08297 2.10082 -0.65777
|
|
force_rgl> df(natom) 1.51493 1.01960 0.24076
|
|
5505.0000 -130.96390 -126.70018 4.26372 2.13578 -126.21477 602.29804
|
|
5510.0000 -130.53507 -126.24703 4.28804 2.14018 -126.15272 598.11030
|
|
5515.0000 -129.79014 -126.51565 3.27449 2.13772 -126.18742 591.14364
|
|
5520.0000 -129.69563 -125.04810 4.64752 2.18450 -125.52746 629.39560
|
|
5525.0000 -130.61624 -125.78863 4.82761 2.20062 -125.30001 644.75926
|
|
5530.0000 -129.55152 -125.09138 4.46014 2.23692 -124.78771 668.60348
|
|
5535.0000 -130.41336 -125.72677 4.68659 2.18853 -125.47053 645.21365
|
|
5540.0000 -130.33514 -125.79300 4.54214 2.16338 -125.82536 603.21714
|
|
5545.0000 -130.47663 -125.61488 4.86175 2.13662 -126.20304 567.90968
|
|
5550.0000 -130.04402 -125.49148 4.55254 2.17725 -125.62976 641.90420
|
|
5555.0000 -130.09626 -126.12470 3.97155 2.12909 -126.30916 578.13257
|
|
5560.0000 -129.71884 -125.39752 4.32132 2.18018 -125.58835 642.19395
|
|
5565.0000 -129.91244 -125.91651 3.99593 2.18486 -125.52236 645.68821
|
|
5570.0000 -130.45274 -125.87978 4.57296 2.17981 -125.59359 626.02573
|
|
5575.0000 -130.38733 -126.66944 3.71789 2.15862 -125.89252 620.30252
|
|
5580.0000 -130.31516 -126.93957 3.37559 2.07484 -127.07468 529.42258
|
|
5585.0000 -130.31231 -126.42377 3.88854 2.08540 -126.92573 552.92261
|
|
5590.0000 -129.76867 -125.99615 3.77252 2.15245 -125.97961 591.67074
|
|
5595.0000 -130.41308 -126.79227 3.62081 2.09834 -126.74303 569.28003
|
|
5600.0000 -130.96218 -127.84498 3.11720 2.04976 -127.42850 520.04755
|
|
5605.0000 -131.70882 -127.53639 4.17243 2.01182 -127.96382 512.58736
|
|
5610.0000 -130.86630 -126.55941 4.30689 2.06414 -127.22567 577.91238
|
|
5615.0000 -130.80487 -126.59310 4.21176 2.11759 -126.47147 604.75762
|
|
5620.0000 -130.24801 -126.05256 4.19546 2.14163 -126.13234 603.78291
|
|
5625.0000 -130.14262 -125.78279 4.35983 2.11185 -126.55244 563.31770
|
|
5630.0000 -129.76442 -125.41882 4.34560 2.22392 -124.97117 683.92884
|
|
5635.0000 -131.05287 -127.03807 4.01480 2.15664 -125.92050 610.62012
|
|
5640.0000 -130.41584 -126.62768 3.78816 2.10360 -126.66885 572.28995
|
|
5645.0000 -129.65033 -125.62171 4.02862 2.18365 -125.53940 653.15888
|
|
5650.0000 -130.25743 -125.85493 4.40249 2.15928 -125.88323 646.27843
|
|
5655.0000 -131.79303 -127.97487 3.81816 2.08887 -126.87676 647.72204
|
|
5660.0000 -132.43467 -128.14930 4.28536 2.02051 -127.84118 581.03958
|
|
5665.0000 -131.60087 -127.74614 3.85473 1.99310 -128.22800 565.59424
|
|
5670.0000 -131.17930 -127.00841 4.17089 2.06891 -127.15835 625.15333
|
|
5675.0000 -130.28467 -126.99540 3.28928 2.06217 -127.25343 588.98327
|
|
5680.0000 -132.00266 -127.40676 4.59590 2.03423 -127.64770 590.81674
|
|
5685.0000 -131.63957 -127.19450 4.44507 2.03455 -127.64319 599.04468
|
|
5690.0000 -131.18496 -126.85731 4.32764 2.10458 -126.65505 682.02275
|
|
5695.0000 -132.11084 -127.50726 4.60358 2.07096 -127.12939 638.63061
|
|
5700.0000 -130.90872 -126.68487 4.22386 2.06263 -127.24694 621.70152
|
|
5705.0000 -131.76217 -127.04268 4.71949 2.14464 -126.08981 692.73775
|
|
5710.0000 -132.48608 -128.21903 4.26704 2.06452 -127.22024 599.49629
|
|
5715.0000 -130.02003 -125.91241 4.10762 2.04566 -127.48643 570.57861
|
|
5720.0000 -130.82876 -127.18898 3.63977 2.11298 -126.53656 621.16253
|
|
5725.0000 -130.68566 -126.01032 4.67534 2.09036 -126.85565 593.92543
|
|
5730.0000 -127.78349 -123.76457 4.01892 2.22321 -124.98125 702.65501
|
|
5735.0000 -129.68094 -125.15158 4.52937 2.24549 -124.66685 698.66690
|
|
5740.0000 -130.66095 -125.93308 4.72787 2.16400 -125.81667 637.16980
|
|
5745.0000 -129.75536 -125.36189 4.39347 2.18512 -125.51860 626.57133
|
|
5750.0000 -129.28041 -125.50579 3.77462 2.20721 -125.20703 652.39452
|
|
FREEZING PROCESS: loop number 24 T-loop= 577.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 577.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.07057 1.26525 -1.12880
|
|
force_rgl> df(natom) 3.23390 -0.68605 -4.73123
|
|
5755.0000 -130.89008 -126.88675 4.00333 2.12943 -126.30448 597.10660
|
|
5760.0000 -130.10706 -126.81923 3.28782 2.10119 -126.70293 562.59835
|
|
5765.0000 -130.04499 -126.16516 3.87982 2.10019 -126.71692 550.14830
|
|
5770.0000 -129.84455 -125.03523 4.80932 2.17923 -125.60172 593.44727
|
|
5775.0000 -129.24148 -124.99383 4.24765 2.19912 -125.32109 622.87117
|
|
5780.0000 -130.04226 -125.92576 4.11651 2.15823 -125.89808 604.02454
|
|
5785.0000 -129.66655 -125.88033 3.78622 2.14199 -126.12714 595.13724
|
|
5790.0000 -130.15768 -126.32843 3.82925 2.15027 -126.01039 609.58581
|
|
5795.0000 -131.06623 -126.84009 4.22614 2.11192 -126.55148 559.65782
|
|
5800.0000 -130.00468 -125.88397 4.12071 2.14411 -126.09726 608.96705
|
|
5805.0000 -130.81282 -126.05667 4.75615 2.11863 -126.45675 587.92971
|
|
5810.0000 -129.81817 -125.85315 3.96502 2.16426 -125.81302 630.12673
|
|
5815.0000 -130.65180 -126.88139 3.77041 2.12630 -126.34852 599.82617
|
|
5820.0000 -130.50786 -126.11115 4.39672 2.12141 -126.41756 582.44623
|
|
5825.0000 -128.97541 -124.39216 4.58324 2.18944 -125.45770 636.68377
|
|
5830.0000 -131.26163 -127.76618 3.49545 2.16264 -125.83583 604.94724
|
|
5835.0000 -130.87132 -127.21062 3.66070 2.05792 -127.31338 535.16851
|
|
5840.0000 -131.23334 -126.94513 4.28821 2.09441 -126.79856 563.02725
|
|
5845.0000 -130.35644 -125.77177 4.58467 2.18603 -125.50581 625.27020
|
|
5850.0000 -130.80390 -126.12902 4.67488 2.14896 -126.02880 585.84925
|
|
5855.0000 -129.62270 -126.07766 3.54504 2.14214 -126.12514 596.12377
|
|
5860.0000 -130.34447 -125.71361 4.63085 2.12086 -126.42539 576.60676
|
|
5865.0000 -131.01625 -126.87369 4.14255 2.10424 -126.65985 577.51472
|
|
5870.0000 -131.16449 -127.08006 4.08443 2.04011 -127.56463 540.65754
|
|
5875.0000 -131.24865 -127.01042 4.23823 2.07176 -127.11812 575.99661
|
|
5880.0000 -130.54420 -126.12203 4.42217 2.07802 -127.02975 549.97079
|
|
5885.0000 -129.69168 -126.07487 3.61681 2.17139 -125.71243 644.60138
|
|
5890.0000 -130.79111 -126.10949 4.68162 2.14607 -126.06963 609.79353
|
|
5895.0000 -130.35827 -125.78818 4.57009 2.14245 -126.12068 610.68481
|
|
5900.0000 -130.11207 -125.96517 4.14691 2.15309 -125.97063 602.83462
|
|
5905.0000 -130.69202 -126.84329 3.84873 2.11215 -126.54819 557.73095
|
|
5910.0000 -129.36670 -125.22781 4.13889 2.14477 -126.08799 591.12913
|
|
5915.0000 -129.82041 -125.03895 4.78146 2.20502 -125.23792 623.91415
|
|
5920.0000 -130.17188 -125.15830 5.01359 2.18662 -125.49751 640.17155
|
|
5925.0000 -129.59391 -125.67722 3.91669 2.18205 -125.56193 639.89281
|
|
5930.0000 -130.25996 -125.97238 4.28757 2.12886 -126.31244 583.30362
|
|
5935.0000 -129.47811 -125.86232 3.61579 2.17084 -125.72016 634.49702
|
|
5940.0000 -130.56025 -126.82566 3.73458 2.07178 -127.11778 540.80844
|
|
5945.0000 -130.00756 -125.82326 4.18430 2.12412 -126.37927 596.25718
|
|
5950.0000 -130.77444 -127.12385 3.65059 2.06792 -127.17235 537.97070
|
|
5955.0000 -129.30659 -126.07588 3.23070 2.09957 -126.72568 534.54786
|
|
5960.0000 -130.76657 -127.12700 3.63957 2.07785 -127.03222 538.98965
|
|
5965.0000 -131.56069 -127.28970 4.27099 2.05898 -127.29845 526.95827
|
|
5970.0000 -130.69107 -126.95133 3.73974 2.05441 -127.36297 546.67922
|
|
5975.0000 -131.37923 -127.67786 3.70137 2.08151 -126.98050 570.89924
|
|
5980.0000 -130.73621 -126.81263 3.92359 2.09238 -126.82721 578.73073
|
|
5985.0000 -130.29467 -126.49506 3.79961 2.11495 -126.50868 587.80110
|
|
5990.0000 -129.58184 -126.47041 3.11143 2.12988 -126.29808 593.49183
|
|
5995.0000 -129.94973 -125.66418 4.28556 2.12111 -126.42176 593.56818
|
|
6000.0000 -130.59390 -125.40419 5.18971 2.13401 -126.23985 586.02799
|
|
FREEZING PROCESS: loop number 25 T-loop= 552.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 552.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.04534 -1.62937 -5.54138
|
|
force_rgl> df(natom) 1.18571 3.97461 -0.25308
|
|
6005.0000 -129.32734 -124.71226 4.61508 2.23795 -124.77325 686.65652
|
|
6010.0000 -129.38949 -125.19392 4.19557 2.22923 -124.89633 680.84928
|
|
6015.0000 -130.48058 -126.03410 4.44648 2.18182 -125.56515 621.34587
|
|
6020.0000 -131.28020 -127.71379 3.56641 2.05355 -127.37506 504.09715
|
|
6025.0000 -130.47985 -126.73055 3.74929 2.02967 -127.71200 513.08522
|
|
6030.0000 -130.35385 -126.48397 3.86988 2.13660 -126.20325 574.56909
|
|
6035.0000 -130.51780 -126.68510 3.83270 2.11532 -126.50350 562.74331
|
|
6040.0000 -130.79241 -126.38483 4.40758 2.12772 -126.32848 590.81912
|
|
6045.0000 -131.36856 -126.40126 4.96730 2.09438 -126.79895 561.95229
|
|
6050.0000 -130.42408 -127.98435 2.43973 2.07220 -127.11196 545.05781
|
|
6055.0000 -129.99764 -125.38161 4.61603 2.08469 -126.93564 555.54419
|
|
6060.0000 -129.88498 -125.64569 4.23929 2.17920 -125.60217 618.86881
|
|
6065.0000 -129.67552 -125.65061 4.02490 2.17303 -125.68924 597.15192
|
|
6070.0000 -130.76243 -127.55858 3.20385 2.14045 -126.14899 602.41942
|
|
6075.0000 -130.64710 -126.98918 3.65792 2.06986 -127.14496 565.79920
|
|
6080.0000 -130.58853 -126.99117 3.59736 2.07718 -127.04159 541.12680
|
|
6085.0000 -130.81566 -126.94899 3.86667 2.07196 -127.11536 521.89304
|
|
6090.0000 -131.94903 -127.51073 4.43830 2.07304 -127.10003 546.16333
|
|
6095.0000 -131.03189 -126.87893 4.15297 2.07591 -127.05951 579.75354
|
|
6100.0000 -132.37234 -128.92045 3.45189 2.02287 -127.80790 584.29142
|
|
6105.0000 -131.84287 -128.68366 3.15921 1.94477 -128.90992 520.12640
|
|
6110.0000 -132.13006 -128.09517 4.03489 1.99295 -128.23013 547.92790
|
|
6115.0000 -131.88643 -128.01626 3.87017 2.00231 -128.09802 568.90170
|
|
6120.0000 -132.20972 -128.23709 3.97263 1.98874 -128.28944 543.52599
|
|
6125.0000 -131.50982 -127.54450 3.96533 2.01852 -127.86933 541.40387
|
|
6130.0000 -131.04067 -127.40059 3.64008 2.06937 -127.15186 561.44122
|
|
6135.0000 -131.60182 -127.11497 4.48685 2.06768 -127.17569 582.86546
|
|
6140.0000 -131.26756 -128.13296 3.13460 2.02274 -127.80984 542.67618
|
|
6145.0000 -131.02630 -127.14775 3.87855 2.06987 -127.14480 559.65255
|
|
6150.0000 -131.16782 -127.16128 4.00654 2.04928 -127.43535 545.85511
|
|
6155.0000 -131.38033 -127.20126 4.17906 2.10420 -126.66042 609.92616
|
|
6160.0000 -130.63446 -127.21574 3.41872 2.05326 -127.37920 562.94122
|
|
6165.0000 -131.42311 -127.27928 4.14384 2.06667 -127.18999 580.97291
|
|
6170.0000 -130.95396 -126.97752 3.97645 2.05882 -127.30074 546.73487
|
|
6175.0000 -131.63760 -127.83575 3.80186 2.07077 -127.13212 571.16247
|
|
6180.0000 -131.07135 -127.83935 3.23201 2.02414 -127.78999 525.56760
|
|
6185.0000 -131.97434 -128.20309 3.77124 2.01102 -127.97510 519.26480
|
|
6190.0000 -131.39538 -127.19443 4.20094 2.02336 -127.80105 542.58315
|
|
6195.0000 -131.79980 -127.42201 4.37779 2.05371 -127.37281 550.53730
|
|
6200.0000 -131.99841 -127.38015 4.61827 2.03874 -127.58406 541.44814
|
|
6205.0000 -131.46148 -128.08598 3.37550 2.04944 -127.43311 520.88713
|
|
6210.0000 -130.97006 -127.35961 3.61045 2.04546 -127.48925 530.75240
|
|
6215.0000 -131.74736 -128.28812 3.45924 2.03450 -127.64390 500.59039
|
|
6220.0000 -131.16406 -126.99035 4.17371 2.02674 -127.75333 518.86087
|
|
6225.0000 -131.23902 -127.53174 3.70728 2.03844 -127.58830 515.04954
|
|
6230.0000 -131.27212 -127.97327 3.29884 2.01795 -127.87733 489.75681
|
|
6235.0000 -130.59332 -127.00739 3.58593 2.06086 -127.27197 536.63567
|
|
6240.0000 -131.13393 -127.97702 3.15691 2.06038 -127.27872 524.87547
|
|
6245.0000 -130.06833 -126.51042 3.55791 2.04720 -127.46468 511.78166
|
|
6250.0000 -130.39412 -126.48764 3.90649 2.11491 -126.50934 558.41480
|
|
FREEZING PROCESS: loop number 26 T-loop= 527.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 527.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.17651 1.44309 -0.79815
|
|
force_rgl> df(natom) -2.11992 -1.29294 -3.59039
|
|
6255.0000 -130.42480 -126.61243 3.81237 2.06940 -127.15145 541.03721
|
|
6260.0000 -130.87877 -127.61252 3.26625 2.04030 -127.56201 512.75834
|
|
6265.0000 -131.01181 -127.34679 3.66502 2.01603 -127.90442 475.23513
|
|
6270.0000 -130.60644 -126.07221 4.53423 2.09029 -126.85662 565.50906
|
|
6275.0000 -130.68383 -127.50829 3.17555 2.07518 -127.06982 556.65159
|
|
6280.0000 -131.45900 -127.92680 3.53220 2.00494 -128.06099 496.66587
|
|
6285.0000 -132.03801 -128.29663 3.74138 2.00643 -128.03989 527.48604
|
|
6290.0000 -131.46891 -128.38597 3.08294 2.01523 -127.91574 538.94209
|
|
6295.0000 -131.77779 -127.99674 3.78105 1.98238 -128.37929 502.90250
|
|
6300.0000 -131.30408 -127.97603 3.32805 2.00176 -128.10577 487.82957
|
|
6305.0000 -132.07848 -128.12031 3.95817 1.98798 -128.30023 496.86614
|
|
6310.0000 -131.60798 -127.53045 4.07753 2.05003 -127.42475 555.21174
|
|
6315.0000 -131.20513 -128.65597 2.54916 2.01839 -127.87118 520.04738
|
|
6320.0000 -131.75723 -128.08570 3.67153 1.97756 -128.44724 479.52899
|
|
6325.0000 -131.66358 -128.14245 3.52113 2.01230 -127.95712 496.10856
|
|
6330.0000 -131.12866 -127.15662 3.97203 2.02566 -127.76865 519.41969
|
|
6335.0000 -131.44125 -127.48469 3.95655 2.06154 -127.26227 556.41658
|
|
6340.0000 -130.44474 -127.05128 3.39346 2.04966 -127.42989 515.05939
|
|
6345.0000 -131.19317 -127.69790 3.49527 2.06291 -127.24305 523.51179
|
|
6350.0000 -131.29502 -127.14243 4.15259 2.04269 -127.52831 516.45352
|
|
6355.0000 -130.41087 -127.03982 3.37105 2.10850 -126.59967 563.07814
|
|
6360.0000 -132.02817 -128.23170 3.79647 2.01511 -127.91745 493.60143
|
|
6365.0000 -130.69693 -127.43836 3.25857 2.01928 -127.85861 494.86172
|
|
6370.0000 -130.74892 -127.64073 3.10819 2.03186 -127.68107 485.90698
|
|
6375.0000 -131.75418 -129.07634 2.67783 2.00734 -128.02706 505.04532
|
|
6380.0000 -132.46967 -128.69464 3.77503 1.96890 -128.56949 477.26725
|
|
6385.0000 -132.21228 -128.39857 3.81371 1.98966 -128.27649 506.32403
|
|
6390.0000 -130.71956 -127.33476 3.38480 2.01741 -127.88505 549.98660
|
|
6395.0000 -131.23540 -127.24026 3.99514 2.05247 -127.39025 570.38618
|
|
6400.0000 -130.65281 -127.34998 3.30284 2.07959 -127.00769 573.73021
|
|
6405.0000 -130.51712 -126.29112 4.22600 2.08536 -126.92621 564.22549
|
|
6410.0000 -130.37824 -126.94429 3.43395 2.10457 -126.65524 572.37487
|
|
6415.0000 -130.64182 -127.17068 3.47115 2.08531 -126.92699 539.32643
|
|
6420.0000 -131.12801 -127.80521 3.32281 2.03857 -127.58646 524.95172
|
|
6425.0000 -131.56974 -127.96723 3.60251 2.00477 -128.06338 498.08521
|
|
6430.0000 -131.72676 -128.13418 3.59257 2.00126 -128.11291 520.84191
|
|
6435.0000 -131.85070 -128.61281 3.23790 1.97375 -128.50105 504.36232
|
|
6440.0000 -131.81637 -127.75500 4.06138 1.98648 -128.32139 514.79291
|
|
6445.0000 -131.81659 -128.02658 3.79001 2.01546 -127.91254 533.90970
|
|
6450.0000 -131.53958 -127.26907 4.27051 2.02178 -127.82329 547.42300
|
|
6455.0000 -131.79967 -127.80616 3.99351 2.04395 -127.51049 525.06934
|
|
6460.0000 -131.94025 -128.82051 3.11973 1.97299 -128.51171 500.72167
|
|
6465.0000 -131.71539 -128.28907 3.42632 2.02345 -127.79970 539.52892
|
|
6470.0000 -131.60460 -128.53477 3.06983 2.01357 -127.93914 538.53668
|
|
6475.0000 -131.32171 -127.87308 3.44863 2.01271 -127.95135 519.03735
|
|
6480.0000 -130.99323 -127.08050 3.91273 2.03728 -127.60463 543.30927
|
|
6485.0000 -130.30855 -126.40026 3.90828 2.10242 -126.68549 556.95249
|
|
6490.0000 -130.94464 -126.79062 4.15402 2.11710 -126.47838 597.75115
|
|
6495.0000 -130.41078 -127.21867 3.19211 2.05342 -127.37692 540.96003
|
|
6500.0000 -130.76481 -126.90238 3.86244 2.05823 -127.30898 545.72631
|
|
FREEZING PROCESS: loop number 27 T-loop= 502.00000000000000
|
|
main_MD> interactions number 27 at Temperature= 502.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.75116 0.62728 -1.86019
|
|
force_rgl> df(natom) -2.66937 -3.26742 1.10097
|
|
6505.0000 -131.27508 -127.22190 4.05318 2.06606 -127.19862 544.99780
|
|
6510.0000 -131.15954 -127.27642 3.88311 2.04070 -127.55635 543.03194
|
|
6515.0000 -131.42017 -127.71041 3.70976 2.04982 -127.42775 539.49689
|
|
6520.0000 -131.36385 -127.54906 3.81478 2.04930 -127.43502 537.58212
|
|
6525.0000 -130.95875 -127.21841 3.74034 2.03473 -127.64066 497.88573
|
|
6530.0000 -131.01647 -127.87019 3.14628 2.06108 -127.26886 535.63112
|
|
6535.0000 -131.79851 -128.33165 3.46686 1.99596 -128.18764 491.65446
|
|
6540.0000 -130.91246 -127.59300 3.31946 2.04685 -127.46955 529.83870
|
|
6545.0000 -130.81263 -127.49708 3.31555 2.05891 -127.29943 529.19197
|
|
6550.0000 -131.37083 -127.83137 3.53946 2.02192 -127.82137 494.04900
|
|
6555.0000 -130.70434 -127.31555 3.38879 2.01205 -127.96064 499.12776
|
|
6560.0000 -130.61919 -126.67926 3.93993 2.06537 -127.20833 556.55873
|
|
6565.0000 -130.74695 -125.97316 4.77379 2.10091 -126.70686 582.75218
|
|
6570.0000 -131.42954 -126.77816 4.65138 2.12636 -126.34779 590.12179
|
|
6575.0000 -131.73630 -127.43015 4.30615 2.06787 -127.17304 563.01791
|
|
6580.0000 -129.98249 -126.09724 3.88524 2.07265 -127.10550 564.00259
|
|
6585.0000 -130.73301 -126.96739 3.76562 2.15062 -126.00546 609.18162
|
|
6590.0000 -130.28383 -126.29301 3.99082 2.13968 -126.15981 587.60067
|
|
6595.0000 -130.67395 -127.45299 3.22095 2.05372 -127.37270 537.42741
|
|
6600.0000 -132.22965 -128.34682 3.88283 1.99781 -128.16160 474.64884
|
|
6605.0000 -130.78344 -127.00262 3.78082 2.01331 -127.94284 523.72417
|
|
6610.0000 -131.86063 -129.20691 2.65372 1.95363 -128.78494 455.39350
|
|
6615.0000 -132.14887 -128.76716 3.38171 1.94803 -128.86389 467.90915
|
|
6620.0000 -132.17577 -128.46883 3.70694 1.96172 -128.67068 489.20590
|
|
6625.0000 -131.64123 -128.38377 3.25746 1.99079 -128.26053 510.64457
|
|
6630.0000 -131.95819 -128.62873 3.32947 1.97971 -128.41694 500.00300
|
|
6635.0000 -132.49444 -128.74557 3.74887 1.95216 -128.80559 475.36328
|
|
6640.0000 -131.34026 -128.50890 2.83136 1.99437 -128.21000 506.33663
|
|
6645.0000 -132.05045 -128.11975 3.93070 1.99153 -128.25016 484.19552
|
|
6650.0000 -131.95174 -128.05619 3.89555 1.98153 -128.39121 517.73252
|
|
6655.0000 -131.90146 -128.19112 3.71034 2.02180 -127.82303 536.44095
|
|
6660.0000 -131.66193 -127.97493 3.68700 1.99048 -128.26500 499.60724
|
|
6665.0000 -131.90633 -128.54329 3.36305 1.98146 -128.39221 480.34745
|
|
6670.0000 -132.01916 -128.21183 3.80732 1.97644 -128.46304 503.37113
|
|
6675.0000 -131.56449 -128.21086 3.35363 1.97306 -128.51074 487.68935
|
|
6680.0000 -131.29316 -127.92447 3.36869 2.03315 -127.66293 525.37397
|
|
6685.0000 -131.81408 -128.63348 3.18060 2.01918 -127.85996 539.17393
|
|
6690.0000 -131.88914 -128.66104 3.22810 1.99747 -128.16638 525.23107
|
|
6695.0000 -131.90526 -128.28682 3.61844 1.97675 -128.45865 468.19113
|
|
6700.0000 -132.24240 -128.47734 3.76506 1.94304 -128.93430 448.40099
|
|
6705.0000 -131.59026 -128.32983 3.26043 2.02191 -127.82142 531.89397
|
|
6710.0000 -131.99673 -128.37319 3.62354 1.96456 -128.63071 491.38114
|
|
6715.0000 -131.70758 -128.45447 3.25310 1.97300 -128.51167 491.10763
|
|
6720.0000 -130.44974 -126.74793 3.70181 2.01545 -127.91260 504.36980
|
|
6725.0000 -130.33051 -126.02205 4.30846 2.09973 -126.72350 594.14353
|
|
6730.0000 -130.55989 -126.23166 4.32823 2.12768 -126.32917 591.61483
|
|
6735.0000 -130.13657 -126.77307 3.36350 2.10265 -126.68233 554.16684
|
|
6740.0000 -130.75656 -127.45315 3.30341 2.06875 -127.16054 530.52857
|
|
6745.0000 -131.23130 -128.05121 3.18009 2.00989 -127.99109 498.75051
|
|
6750.0000 -130.90441 -126.86129 4.04312 2.00922 -128.00061 501.14860
|
|
FREEZING PROCESS: loop number 28 T-loop= 477.00000000000000
|
|
main_MD> interactions number 28 at Temperature= 477.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.72933 -0.29146 1.87037
|
|
force_rgl> df(natom) -0.75444 -0.88498 1.44757
|
|
6755.0000 -131.31812 -128.58388 2.73424 2.02671 -127.75374 500.58195
|
|
6760.0000 -131.05402 -127.98482 3.06921 1.97691 -128.45644 458.94852
|
|
6765.0000 -131.56865 -128.22160 3.34705 1.99190 -128.24496 485.21234
|
|
6770.0000 -131.06000 -128.05721 3.00279 2.00290 -128.08974 488.70422
|
|
6775.0000 -131.44124 -128.40922 3.03202 2.03079 -127.69621 505.88145
|
|
6780.0000 -131.46456 -127.96261 3.50195 2.00961 -127.99504 482.44506
|
|
6785.0000 -131.30677 -128.22907 3.07770 2.00388 -128.07587 495.78774
|
|
6790.0000 -132.39219 -129.50033 2.89186 1.95146 -128.81558 457.01701
|
|
6795.0000 -131.43251 -128.37700 3.05551 1.93210 -129.08862 436.82745
|
|
6800.0000 -132.14038 -128.66690 3.47348 1.95293 -128.79479 460.75279
|
|
6805.0000 -132.09602 -129.38096 2.71506 1.94799 -128.86442 471.04674
|
|
6810.0000 -132.75734 -129.60720 3.15015 1.89838 -129.56452 426.61516
|
|
6815.0000 -131.64907 -128.17845 3.47062 1.93163 -129.09530 460.04768
|
|
6820.0000 -131.88452 -128.50577 3.37876 2.02800 -127.73555 513.07818
|
|
6825.0000 -132.51338 -128.90622 3.60716 1.96143 -128.67481 460.13460
|
|
6830.0000 -131.35570 -128.13388 3.22182 1.97510 -128.48191 498.46830
|
|
6835.0000 -131.39188 -127.32855 4.06333 2.03400 -127.65085 528.73081
|
|
6840.0000 -131.05357 -127.70367 3.34990 2.04098 -127.55247 546.49271
|
|
6845.0000 -130.33312 -127.63743 2.69569 2.03260 -127.67062 513.51024
|
|
6850.0000 -131.84389 -128.17824 3.66565 2.04109 -127.55084 524.15617
|
|
6855.0000 -132.09422 -128.83944 3.25479 1.98443 -128.35036 491.31971
|
|
6860.0000 -131.79229 -128.24406 3.54823 1.97679 -128.45812 478.07699
|
|
6865.0000 -131.64076 -128.12523 3.51553 1.98285 -128.37267 486.41007
|
|
6870.0000 -131.84835 -128.35285 3.49550 1.98527 -128.33844 490.49789
|
|
6875.0000 -131.37961 -127.55479 3.82481 2.00816 -128.01554 495.38287
|
|
6880.0000 -132.33586 -128.93034 3.40553 2.02578 -127.76690 526.31304
|
|
6885.0000 -132.01818 -129.38376 2.63442 1.92486 -129.19084 434.25013
|
|
6890.0000 -130.84435 -127.46378 3.38057 1.95644 -128.74520 456.56464
|
|
6895.0000 -131.69625 -128.49789 3.19836 1.96953 -128.56050 467.93205
|
|
6900.0000 -131.42574 -128.16731 3.25843 1.97370 -128.50179 472.82076
|
|
6905.0000 -132.25871 -128.31521 3.94350 1.98263 -128.37573 483.99992
|
|
6910.0000 -131.71327 -128.79978 2.91349 1.97384 -128.49980 456.92986
|
|
6915.0000 -131.26011 -128.69130 2.56881 1.99373 -128.21915 480.19546
|
|
6920.0000 -131.66057 -128.45422 3.20635 1.96938 -128.56262 465.94919
|
|
6925.0000 -131.74097 -128.66709 3.07388 1.98037 -128.40762 483.97277
|
|
6930.0000 -132.24925 -128.94867 3.30058 1.93897 -128.99180 448.17463
|
|
6935.0000 -131.95798 -128.48653 3.47145 1.93913 -128.98947 446.29978
|
|
6940.0000 -131.18602 -127.67254 3.51348 2.02526 -127.77425 531.82209
|
|
6945.0000 -132.48431 -128.50584 3.97847 2.00247 -128.09583 524.99121
|
|
6950.0000 -131.94701 -128.81345 3.13356 1.95672 -128.74128 489.23813
|
|
6955.0000 -132.47404 -129.08363 3.39042 1.93328 -129.07198 464.33952
|
|
6960.0000 -132.48766 -129.54993 2.93773 1.91672 -129.30564 445.18278
|
|
6965.0000 -132.86961 -130.09056 2.77906 1.87224 -129.93335 409.02317
|
|
6970.0000 -132.19843 -128.26414 3.93429 1.92988 -129.11998 459.66737
|
|
6975.0000 -131.39967 -128.17246 3.22721 1.99789 -128.16046 500.57004
|
|
6980.0000 -131.94290 -128.13289 3.81001 2.00836 -128.01266 508.06009
|
|
6985.0000 -131.25352 -128.06864 3.18488 1.97609 -128.46798 483.97818
|
|
6990.0000 -132.15481 -129.15898 2.99583 1.96351 -128.64552 472.08647
|
|
6995.0000 -132.13831 -128.99183 3.14649 1.93320 -129.07314 452.50566
|
|
7000.0000 -131.92430 -128.21547 3.70883 1.96325 -128.64914 454.65475
|
|
FREEZING PROCESS: loop number 29 T-loop= 452.00000000000000
|
|
main_MD> interactions number 29 at Temperature= 452.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.38426 -1.03772 0.10255
|
|
force_rgl> df(natom) 2.31452 -0.22922 0.83859
|
|
7005.0000 -132.21807 -128.46003 3.75804 1.96873 -128.57186 448.09408
|
|
7010.0000 -132.21187 -128.65794 3.55393 1.95685 -128.73940 463.91492
|
|
7015.0000 -132.10367 -129.05796 3.04570 1.95059 -128.82780 483.91999
|
|
7020.0000 -132.16765 -129.27474 2.89291 1.95613 -128.74967 487.87056
|
|
7025.0000 -132.83592 -130.03769 2.79823 1.90142 -129.52155 438.28199
|
|
7030.0000 -132.18905 -129.08053 3.10853 1.90140 -129.52183 424.97347
|
|
7035.0000 -131.71389 -128.51683 3.19707 1.96055 -128.68725 466.09560
|
|
7040.0000 -132.15423 -128.91575 3.23849 1.95664 -128.74242 480.47352
|
|
7045.0000 -133.05756 -129.35337 3.70418 1.94206 -128.94814 472.71374
|
|
7050.0000 -131.73395 -129.18182 2.55214 1.94163 -128.95422 462.35391
|
|
7055.0000 -132.14823 -129.10770 3.04053 1.95058 -128.82798 467.45524
|
|
7060.0000 -131.92344 -128.70456 3.21887 1.94842 -128.85845 462.52703
|
|
7065.0000 -132.41807 -130.12175 2.29632 1.92069 -129.24963 433.68535
|
|
7070.0000 -131.97138 -128.28306 3.68832 1.91311 -129.35669 408.86237
|
|
7075.0000 -132.30395 -129.19630 3.10765 1.97472 -128.48728 478.29464
|
|
7080.0000 -132.03675 -129.07463 2.96212 1.93548 -129.04097 456.11282
|
|
7085.0000 -131.84245 -127.55880 4.28365 2.00329 -128.08425 512.20686
|
|
7090.0000 -132.03794 -128.50526 3.53268 1.99960 -128.13624 517.53743
|
|
7095.0000 -132.05872 -129.28739 2.77133 1.92631 -129.17043 425.77867
|
|
7100.0000 -131.81704 -129.42411 2.39293 1.93339 -129.07049 442.86852
|
|
7105.0000 -132.02092 -128.51173 3.50920 1.95140 -128.81637 471.80372
|
|
7110.0000 -131.71283 -128.04749 3.66533 1.99336 -128.22432 506.88910
|
|
7115.0000 -131.76280 -128.28414 3.47867 1.98507 -128.34128 466.00832
|
|
7120.0000 -132.03274 -129.22320 2.80954 1.95358 -128.78560 441.91936
|
|
7125.0000 -131.86680 -129.17047 2.69632 1.91544 -129.32369 434.54276
|
|
7130.0000 -132.23116 -129.26593 2.96523 1.93072 -129.10817 444.15748
|
|
7135.0000 -132.04589 -129.48942 2.55647 1.93404 -129.06127 456.20942
|
|
7140.0000 -131.75484 -128.92922 2.82562 1.94172 -128.95290 452.60036
|
|
7145.0000 -131.47212 -128.23779 3.23433 1.95470 -128.76978 461.54677
|
|
7150.0000 -132.60083 -129.00903 3.59180 1.95557 -128.75749 473.78047
|
|
7155.0000 -132.06580 -128.13544 3.93037 1.98045 -128.40651 516.89424
|
|
7160.0000 -132.90639 -129.58556 3.32084 1.94879 -128.85320 485.13403
|
|
7165.0000 -132.25673 -128.96650 3.29023 1.91909 -129.27226 465.87692
|
|
7170.0000 -132.12440 -128.92332 3.20108 1.93875 -128.99486 487.85950
|
|
7175.0000 -132.54809 -128.95376 3.59433 1.95569 -128.75588 481.97355
|
|
7180.0000 -131.90275 -128.41765 3.48510 1.95828 -128.71935 483.71392
|
|
7185.0000 -132.50441 -129.40923 3.09518 1.94100 -128.96311 485.19454
|
|
7190.0000 -132.36278 -129.09620 3.26658 1.93090 -129.10564 470.33290
|
|
7195.0000 -132.66831 -129.39170 3.27660 1.93173 -129.09395 471.57665
|
|
7200.0000 -133.12973 -130.11888 3.01084 1.87405 -129.90782 423.16730
|
|
7205.0000 -132.91441 -129.43668 3.47773 1.88070 -129.81388 426.00165
|
|
7210.0000 -132.51976 -129.38644 3.13331 1.90010 -129.54017 443.52050
|
|
7215.0000 -132.61701 -129.34947 3.26754 1.92783 -129.14899 463.02805
|
|
7220.0000 -132.33437 -129.48072 2.85365 1.91134 -129.38156 427.60709
|
|
7225.0000 -132.10095 -129.10044 3.00050 1.90082 -129.53000 401.53177
|
|
7230.0000 -131.87635 -128.84962 3.02673 1.93719 -129.01684 448.69185
|
|
7235.0000 -132.49983 -129.08454 3.41530 1.96382 -128.64117 471.45686
|
|
7240.0000 -132.50381 -129.60469 2.89913 1.90979 -129.40352 425.12363
|
|
7245.0000 -132.06213 -129.00963 3.05250 1.90517 -129.46863 430.46784
|
|
7250.0000 -132.45578 -129.14740 3.30838 1.93523 -129.04454 455.64224
|
|
FREEZING PROCESS: loop number 30 T-loop= 427.00000000000000
|
|
main_MD> interactions number 30 at Temperature= 427.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -4.54229 -1.69308 0.45677
|
|
force_rgl> df(natom) 1.80535 1.59921 0.95793
|
|
7255.0000 -132.87164 -130.13455 2.73709 1.89817 -129.56746 431.64032
|
|
7260.0000 -132.52694 -129.64940 2.87754 1.87998 -129.82406 404.64874
|
|
7265.0000 -132.45829 -129.22652 3.23178 1.88490 -129.75463 407.82315
|
|
7270.0000 -132.12556 -129.45064 2.67492 1.90252 -129.50601 430.77761
|
|
7275.0000 -132.21728 -129.81151 2.40577 1.89954 -129.54804 420.73748
|
|
7280.0000 -132.41613 -129.06448 3.35165 1.88820 -129.70810 432.26437
|
|
7285.0000 -132.85562 -130.06555 2.79007 1.90068 -129.53204 436.04902
|
|
7290.0000 -132.09251 -129.80041 2.29211 1.88836 -129.70584 417.95777
|
|
7295.0000 -132.32184 -129.11892 3.20292 1.87709 -129.86479 405.36858
|
|
7300.0000 -132.07363 -129.48404 2.58959 1.90609 -129.45563 436.92034
|
|
7305.0000 -133.19090 -129.98708 3.20383 1.86782 -129.99563 394.62574
|
|
7310.0000 -132.77414 -129.93081 2.84333 1.87914 -129.83589 406.65489
|
|
7315.0000 -132.14038 -129.19286 2.94752 1.89268 -129.64488 415.28159
|
|
7320.0000 -132.42916 -129.91517 2.51399 1.91519 -129.32728 424.62977
|
|
7325.0000 -132.34452 -129.62230 2.72222 1.89014 -129.68078 397.11775
|
|
7330.0000 -132.24577 -128.98711 3.25867 1.91970 -129.26365 442.77067
|
|
7335.0000 -132.40230 -129.36138 3.04091 1.92524 -129.18549 447.33900
|
|
7340.0000 -132.31512 -129.55802 2.75710 1.88278 -129.78452 392.94283
|
|
7345.0000 -132.54939 -129.93927 2.61011 1.86614 -130.01937 382.01746
|
|
7350.0000 -132.86532 -130.06315 2.80216 1.89705 -129.58323 421.92515
|
|
7355.0000 -132.26766 -129.73415 2.53351 1.89221 -129.65155 409.88669
|
|
7360.0000 -132.70014 -128.92745 3.77268 1.89562 -129.60339 414.17328
|
|
7365.0000 -131.93579 -128.59497 3.34082 1.96884 -128.57022 474.88884
|
|
7370.0000 -132.21548 -129.10567 3.10981 1.95401 -128.77958 463.57612
|
|
7375.0000 -132.57631 -129.67873 2.89758 1.89405 -129.62555 410.64387
|
|
7380.0000 -133.09495 -130.03499 3.05996 1.88963 -129.68797 416.04328
|
|
7385.0000 -132.48617 -129.74136 2.74482 1.89227 -129.65065 423.01400
|
|
7390.0000 -132.74937 -130.12276 2.62661 1.86618 -130.01876 385.67306
|
|
7395.0000 -132.63482 -130.14177 2.49304 1.85615 -130.16036 391.35793
|
|
7400.0000 -133.01229 -130.35417 2.65812 1.87145 -129.94442 402.28429
|
|
7405.0000 -132.91107 -130.42555 2.48552 1.85630 -130.15826 386.23798
|
|
7410.0000 -131.88338 -129.45836 2.42501 1.86365 -130.05448 396.17649
|
|
7415.0000 -132.76504 -130.23784 2.52720 1.90232 -129.50881 416.95250
|
|
7420.0000 -132.26633 -129.94025 2.32608 1.88007 -129.82278 391.01052
|
|
7425.0000 -132.43646 -129.36922 3.06724 1.88922 -129.69370 394.57637
|
|
7430.0000 -132.08762 -129.17383 2.91379 1.89794 -129.57064 401.61869
|
|
7435.0000 -132.50400 -129.65519 2.84881 1.92227 -129.22733 423.83180
|
|
7440.0000 -131.92936 -128.60724 3.32212 1.92454 -129.19538 432.79942
|
|
7445.0000 -131.92219 -129.15711 2.76508 1.95815 -128.72105 472.01333
|
|
7450.0000 -131.85060 -128.97172 2.87888 1.93459 -129.05350 443.24467
|
|
7455.0000 -131.36270 -128.13352 3.22917 1.95474 -128.76921 443.04666
|
|
7460.0000 -131.67776 -128.58306 3.09470 1.96732 -128.59175 461.01652
|
|
7465.0000 -132.38267 -129.01305 3.36962 1.94005 -128.97650 432.72332
|
|
7470.0000 -132.34551 -129.43711 2.90840 1.93900 -128.99129 433.27382
|
|
7475.0000 -131.85507 -128.93607 2.91900 1.92983 -129.12071 437.21049
|
|
7480.0000 -131.38208 -128.85946 2.52262 1.94938 -128.84492 458.14345
|
|
7485.0000 -131.77073 -128.99538 2.77535 1.94409 -128.91952 440.62842
|
|
7490.0000 -131.97867 -129.31931 2.65936 1.93601 -129.03353 455.95157
|
|
7495.0000 -131.69676 -129.17917 2.51759 1.90934 -129.40988 417.19913
|
|
7500.0000 -132.25472 -130.07587 2.17886 1.87767 -129.85662 406.01379
|
|
FREEZING PROCESS: loop number 31 T-loop= 402.00000000000000
|
|
main_MD> interactions number 31 at Temperature= 402.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.12685 -0.90872 0.78119
|
|
force_rgl> df(natom) -0.15229 -0.77623 -1.17752
|
|
7505.0000 -133.15687 -130.60592 2.55095 1.85280 -130.20762 386.92597
|
|
7510.0000 -133.47643 -130.87149 2.60493 1.84137 -130.36886 378.11968
|
|
7515.0000 -132.73093 -130.06576 2.66518 1.83838 -130.41098 379.93956
|
|
7520.0000 -133.10966 -130.28531 2.82435 1.85293 -130.20577 398.23091
|
|
7525.0000 -133.15571 -130.58042 2.57530 1.84225 -130.35639 382.37661
|
|
7530.0000 -133.37778 -130.69438 2.68340 1.82093 -130.65731 373.14171
|
|
7535.0000 -133.21166 -131.04088 2.17078 1.80859 -130.83135 366.51930
|
|
7540.0000 -133.62678 -130.45149 3.17528 1.80921 -130.82266 368.26419
|
|
7545.0000 -132.93139 -130.20207 2.72931 1.87571 -129.88432 431.24014
|
|
7550.0000 -133.27873 -130.96484 2.31389 1.81880 -130.68736 382.05837
|
|
7555.0000 -132.82642 -130.47854 2.34788 1.80780 -130.84249 359.90667
|
|
7560.0000 -133.24364 -130.58200 2.66163 1.82615 -130.58357 368.26471
|
|
7565.0000 -133.48284 -130.60048 2.88235 1.82260 -130.63370 380.93018
|
|
7570.0000 -133.16291 -130.73909 2.42382 1.83920 -130.39946 398.36519
|
|
7575.0000 -133.02195 -130.42733 2.59461 1.82386 -130.61597 386.86493
|
|
7580.0000 -133.15967 -130.24331 2.91636 1.85076 -130.23636 406.30711
|
|
7585.0000 -132.98053 -130.13804 2.84250 1.85390 -130.19206 404.80063
|
|
7590.0000 -133.56471 -130.96024 2.60447 1.81033 -130.80675 371.26640
|
|
7595.0000 -132.88932 -130.16670 2.72262 1.82235 -130.63720 381.61185
|
|
7600.0000 -132.95964 -130.03561 2.92403 1.84134 -130.36933 390.16690
|
|
7605.0000 -132.68772 -129.75360 2.93411 1.86011 -130.10446 406.76045
|
|
7610.0000 -132.57432 -129.21234 3.36198 1.88346 -129.77493 430.72303
|
|
7615.0000 -132.54466 -129.95119 2.59347 1.91114 -129.38445 445.06331
|
|
7620.0000 -132.17325 -129.21665 2.95660 1.90731 -129.43842 452.87886
|
|
7625.0000 -133.26590 -129.76896 3.49695 1.90648 -129.45022 434.34094
|
|
7630.0000 -132.73753 -128.99311 3.74442 1.88045 -129.81743 413.62703
|
|
7635.0000 -132.95038 -130.18762 2.76275 1.87103 -129.95041 406.55677
|
|
7640.0000 -132.93721 -129.98630 2.95090 1.85598 -130.16275 392.82627
|
|
7645.0000 -133.29024 -130.55560 2.73465 1.86835 -129.98812 416.39806
|
|
7650.0000 -133.11330 -130.37418 2.73912 1.82966 -130.53408 393.52141
|
|
7655.0000 -132.87611 -130.23505 2.64106 1.83184 -130.50328 397.13341
|
|
7660.0000 -132.34905 -129.90252 2.44653 1.84695 -130.29013 401.32915
|
|
7665.0000 -132.73743 -129.70405 3.03337 1.87166 -129.94148 427.85673
|
|
7670.0000 -132.23710 -129.70396 2.53314 1.87572 -129.88423 419.05443
|
|
7675.0000 -132.74585 -129.70524 3.04061 1.89024 -129.67927 435.21867
|
|
7680.0000 -133.38822 -130.38354 3.00468 1.83461 -130.46419 398.05757
|
|
7685.0000 -133.48568 -131.01898 2.46671 1.81441 -130.74924 377.73907
|
|
7690.0000 -132.68045 -129.94106 2.73939 1.84056 -130.38025 390.59826
|
|
7695.0000 -133.27014 -130.65291 2.61723 1.83366 -130.47758 384.01166
|
|
7700.0000 -132.95298 -130.16248 2.79050 1.83028 -130.52540 380.24237
|
|
7705.0000 -132.50909 -129.92306 2.58603 1.85666 -130.15305 406.69137
|
|
7710.0000 -133.12614 -130.52116 2.60498 1.86208 -130.07666 421.64253
|
|
7715.0000 -133.23003 -130.58173 2.64830 1.86013 -130.10413 410.56347
|
|
7720.0000 -133.00071 -129.79686 3.20385 1.88976 -129.68613 441.95959
|
|
7725.0000 -132.28082 -129.62044 2.66038 1.89283 -129.64271 443.90863
|
|
7730.0000 -132.59284 -129.80947 2.78337 1.84484 -130.31993 395.98279
|
|
7735.0000 -132.32468 -129.36652 2.95816 1.88536 -129.74817 419.80766
|
|
7740.0000 -132.78907 -130.23396 2.55511 1.86476 -130.03884 407.25944
|
|
7745.0000 -132.42363 -129.27360 3.15003 1.89347 -129.63371 427.42494
|
|
7750.0000 -132.07498 -129.82136 2.25362 1.90001 -129.54146 429.32690
|
|
FREEZING PROCESS: loop number 32 T-loop= 377.00000000000000
|
|
main_MD> interactions number 32 at Temperature= 377.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.26699 -0.73787 0.05463
|
|
force_rgl> df(natom) -2.05119 3.18723 -0.11525
|
|
7755.0000 -132.71978 -129.63391 3.08587 1.87124 -129.94741 392.21756
|
|
7760.0000 -132.96256 -130.38953 2.57303 1.85540 -130.17093 396.22608
|
|
7765.0000 -132.62066 -130.26910 2.35156 1.83302 -130.48660 360.97874
|
|
7770.0000 -132.93176 -130.10887 2.82289 1.84992 -130.24816 375.26154
|
|
7775.0000 -132.62558 -130.44319 2.18238 1.82893 -130.54438 368.22703
|
|
7780.0000 -133.22362 -130.76338 2.46024 1.82324 -130.62464 361.37607
|
|
7785.0000 -133.28005 -130.68255 2.59750 1.81125 -130.79389 345.94562
|
|
7790.0000 -132.92813 -129.90927 3.01886 1.84472 -130.32153 380.10812
|
|
7795.0000 -132.89490 -130.52296 2.37193 1.86318 -130.06118 390.03264
|
|
7800.0000 -132.74207 -130.01786 2.72421 1.83695 -130.43120 369.94190
|
|
7805.0000 -132.90565 -130.30623 2.59942 1.85449 -130.18377 388.74016
|
|
7810.0000 -133.21661 -130.87119 2.34542 1.83626 -130.44096 355.00607
|
|
7815.0000 -132.68462 -130.30004 2.38458 1.80348 -130.90342 320.92210
|
|
7820.0000 -133.05078 -130.34980 2.70098 1.82876 -130.54674 347.45696
|
|
7825.0000 -132.41615 -130.15951 2.25663 1.84048 -130.38143 357.14560
|
|
7830.0000 -132.31146 -130.09320 2.21825 1.83248 -130.49434 345.98582
|
|
7835.0000 -133.10101 -130.34137 2.75964 1.85835 -130.12932 369.06885
|
|
7840.0000 -132.49795 -130.00193 2.49602 1.84502 -130.31735 360.03775
|
|
7845.0000 -132.81416 -129.88356 2.93059 1.87685 -129.86827 406.49879
|
|
7850.0000 -133.20915 -130.48322 2.72592 1.84740 -130.28382 400.46974
|
|
7855.0000 -132.75697 -130.48656 2.27041 1.83614 -130.44266 385.93131
|
|
7860.0000 -132.72644 -129.92199 2.80445 1.83488 -130.46046 382.70117
|
|
7865.0000 -133.34183 -130.80820 2.53364 1.86076 -130.09525 401.93852
|
|
7870.0000 -132.91500 -130.62455 2.29044 1.81617 -130.72445 373.76897
|
|
7875.0000 -132.91319 -129.52037 3.39283 1.84584 -130.30580 401.55744
|
|
7880.0000 -133.52017 -129.94010 3.58007 1.88554 -129.74564 436.77343
|
|
7885.0000 -133.31589 -130.96540 2.35049 1.81992 -130.67149 374.56003
|
|
7890.0000 -134.01861 -131.74860 2.27002 1.77568 -131.29566 334.31217
|
|
7895.0000 -132.89717 -130.71638 2.18079 1.78388 -131.18004 344.19207
|
|
7900.0000 -133.46506 -130.77356 2.69150 1.81648 -130.72010 370.23442
|
|
7905.0000 -133.37477 -131.29967 2.07510 1.79957 -130.95870 357.62469
|
|
7910.0000 -133.47003 -130.99100 2.47904 1.78983 -131.09610 349.77151
|
|
7915.0000 -132.94007 -130.24637 2.69370 1.82674 -130.57528 388.70910
|
|
7920.0000 -133.07260 -130.11835 2.95425 1.83689 -130.43209 387.36458
|
|
7925.0000 -132.72216 -130.38480 2.33737 1.86380 -130.05244 416.29485
|
|
7930.0000 -133.02807 -130.31586 2.71221 1.84824 -130.27193 402.99287
|
|
7935.0000 -133.18252 -130.54942 2.63310 1.83230 -130.49685 388.51115
|
|
7940.0000 -133.77658 -131.60310 2.17349 1.80663 -130.85902 368.49111
|
|
7945.0000 -133.70312 -131.14557 2.55755 1.77630 -131.28692 338.69710
|
|
7950.0000 -133.21646 -130.01121 3.20524 1.85337 -130.19947 409.90960
|
|
7955.0000 -133.32828 -130.92951 2.39877 1.81215 -130.78120 369.13111
|
|
7960.0000 -133.43786 -130.19746 3.24039 1.83334 -130.48222 398.79439
|
|
7965.0000 -133.14599 -130.56382 2.58217 1.84239 -130.35442 401.87419
|
|
7970.0000 -133.45191 -131.22170 2.23021 1.78996 -131.09420 348.21012
|
|
7975.0000 -133.64952 -131.05479 2.59473 1.77891 -131.25019 338.90365
|
|
7980.0000 -133.76674 -131.38273 2.38401 1.78679 -131.13893 349.55824
|
|
7985.0000 -133.38711 -131.26078 2.12633 1.78764 -131.12693 351.24894
|
|
7990.0000 -133.48797 -130.65455 2.83342 1.79025 -131.09012 350.39080
|
|
7995.0000 -132.93959 -130.21367 2.72592 1.83375 -130.47640 395.03586
|
|
8000.0000 -133.36017 -130.34149 3.01869 1.84758 -130.28121 405.48669
|
|
FREEZING PROCESS: loop number 33 T-loop= 352.00000000000000
|
|
main_MD> interactions number 33 at Temperature= 352.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.80985 -0.54646 1.58653
|
|
force_rgl> df(natom) 0.39984 0.78611 -1.54196
|
|
8005.0000 -133.52045 -131.51494 2.00551 1.79763 -130.98595 354.68344
|
|
8010.0000 -133.89001 -131.66385 2.22617 1.76197 -131.48916 325.08701
|
|
8015.0000 -133.34944 -131.47607 1.87337 1.75493 -131.58847 314.73915
|
|
8020.0000 -133.84136 -131.39452 2.44684 1.78290 -131.19386 340.26624
|
|
8025.0000 -133.27268 -131.00191 2.27077 1.76004 -131.51633 318.81099
|
|
8030.0000 -133.60439 -131.12609 2.47829 1.78007 -131.23379 344.38314
|
|
8035.0000 -133.64221 -130.91492 2.72729 1.80310 -130.90881 355.99715
|
|
8040.0000 -133.81569 -131.60249 2.21320 1.78885 -131.10992 346.79443
|
|
8045.0000 -134.18311 -131.46014 2.72297 1.78027 -131.23097 342.45939
|
|
8050.0000 -133.76567 -131.26560 2.50007 1.77497 -131.30572 335.36700
|
|
8055.0000 -132.92803 -130.53260 2.39543 1.78735 -131.13106 344.41697
|
|
8060.0000 -133.84351 -131.17444 2.66907 1.79165 -131.07043 346.03350
|
|
8065.0000 -133.66179 -131.19006 2.47174 1.77194 -131.34850 333.82356
|
|
8070.0000 -133.56395 -131.17394 2.39001 1.78541 -131.15839 348.32379
|
|
8075.0000 -133.10328 -130.53083 2.57245 1.81157 -130.78938 372.06272
|
|
8080.0000 -133.36988 -131.24172 2.12815 1.78734 -131.13120 343.71472
|
|
8085.0000 -133.72209 -131.30031 2.42178 1.77177 -131.35086 330.63948
|
|
8090.0000 -133.47889 -131.28062 2.19827 1.79171 -131.06956 347.87448
|
|
8095.0000 -133.80973 -131.33213 2.47759 1.77931 -131.24451 340.79522
|
|
8100.0000 -133.18352 -130.60303 2.58048 1.79317 -131.04888 344.57492
|
|
8105.0000 -133.44513 -130.96733 2.47781 1.80658 -130.85979 365.28644
|
|
8110.0000 -132.80505 -130.19813 2.60693 1.83596 -130.44514 396.75303
|
|
8115.0000 -133.67636 -131.61799 2.05837 1.79815 -130.97865 356.87893
|
|
8120.0000 -133.48122 -130.60975 2.87148 1.78905 -131.10702 348.98020
|
|
8125.0000 -133.28820 -130.22477 3.06343 1.84202 -130.35966 399.35879
|
|
8130.0000 -133.60691 -130.95910 2.64782 1.83339 -130.48139 396.03766
|
|
8135.0000 -133.50266 -130.65063 2.85203 1.83709 -130.42925 394.42950
|
|
8140.0000 -133.24890 -130.94067 2.30824 1.81484 -130.74313 372.53713
|
|
8145.0000 -133.63444 -131.42508 2.20936 1.78592 -131.15118 341.48481
|
|
8150.0000 -134.06849 -131.24844 2.82005 1.78372 -131.18231 339.29163
|
|
8155.0000 -133.78940 -131.58134 2.20806 1.78684 -131.13823 351.65625
|
|
8160.0000 -133.21685 -131.04935 2.16750 1.78169 -131.21098 341.99288
|
|
8165.0000 -133.58284 -130.86901 2.71383 1.80138 -130.93310 360.38326
|
|
8170.0000 -133.69490 -131.63121 2.06369 1.78165 -131.21144 345.30624
|
|
8175.0000 -133.54870 -131.27572 2.27298 1.75781 -131.54779 320.49802
|
|
8180.0000 -133.01489 -130.51483 2.50006 1.80336 -130.90510 359.85448
|
|
8185.0000 -132.85881 -130.13782 2.72099 1.82900 -130.54339 376.87122
|
|
8190.0000 -133.50985 -131.49033 2.01953 1.81836 -130.69346 373.31773
|
|
8195.0000 -133.76854 -131.59973 2.16881 1.76415 -131.45844 325.48312
|
|
8200.0000 -133.28818 -130.74024 2.54794 1.78817 -131.11952 351.31827
|
|
8205.0000 -133.09502 -130.96375 2.13127 1.81679 -130.71571 378.88896
|
|
8210.0000 -133.43239 -131.42672 2.00567 1.76151 -131.49560 321.40629
|
|
8215.0000 -133.49144 -131.10584 2.38560 1.78883 -131.11021 345.75630
|
|
8220.0000 -133.27407 -131.00607 2.26800 1.79037 -131.08841 354.16254
|
|
8225.0000 -132.92319 -130.60338 2.31981 1.81287 -130.77101 369.48153
|
|
8230.0000 -133.46665 -130.61483 2.85181 1.80900 -130.82564 370.42115
|
|
8235.0000 -133.24852 -130.92133 2.32718 1.82561 -130.59122 380.46982
|
|
8240.0000 -133.64792 -131.26494 2.38298 1.79759 -130.98664 357.47440
|
|
8245.0000 -133.38231 -130.96506 2.41725 1.79836 -130.97564 356.94108
|
|
8250.0000 -134.00061 -131.72185 2.27876 1.77521 -131.30238 341.02566
|
|
FREEZING PROCESS: loop number 34 T-loop= 327.00000000000000
|
|
main_MD> interactions number 34 at Temperature= 327.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.73123 0.30840 1.19244
|
|
force_rgl> df(natom) 0.04893 0.16210 0.96971
|
|
8255.0000 -133.71170 -131.51814 2.19356 1.74865 -131.67705 308.28020
|
|
8260.0000 -133.75445 -131.49127 2.26318 1.74966 -131.66280 308.39135
|
|
8265.0000 -133.91535 -131.65995 2.25541 1.75088 -131.64567 310.45175
|
|
8270.0000 -133.91603 -131.50609 2.40994 1.74344 -131.75060 308.40739
|
|
8275.0000 -133.68488 -131.25210 2.43278 1.76691 -131.41944 331.31451
|
|
8280.0000 -133.62980 -131.78567 1.84413 1.75009 -131.65673 310.26902
|
|
8285.0000 -133.35690 -130.70222 2.65468 1.78368 -131.18290 349.99137
|
|
8290.0000 -133.73517 -131.39552 2.33965 1.79834 -130.97604 355.91285
|
|
8295.0000 -133.58540 -131.04747 2.53793 1.76530 -131.44218 326.74242
|
|
8300.0000 -133.83556 -131.73467 2.10089 1.77775 -131.26646 336.39549
|
|
8305.0000 -133.91088 -131.63655 2.27433 1.76951 -131.38274 332.78457
|
|
8310.0000 -133.60221 -131.60753 1.99468 1.75416 -131.59931 315.55795
|
|
8315.0000 -133.74699 -131.85857 1.88841 1.74346 -131.75027 301.89660
|
|
8320.0000 -133.69948 -131.82958 1.86991 1.73129 -131.92199 294.23142
|
|
8325.0000 -133.06698 -131.04783 2.01915 1.75665 -131.56426 318.90851
|
|
8330.0000 -133.83058 -131.39990 2.43068 1.78232 -131.20200 342.84312
|
|
8335.0000 -133.73384 -131.60962 2.12422 1.76890 -131.39135 331.75944
|
|
8340.0000 -133.23522 -130.99619 2.23904 1.77098 -131.36207 329.85285
|
|
8345.0000 -133.84611 -131.73070 2.11541 1.78897 -131.10818 349.69252
|
|
8350.0000 -134.46029 -131.96153 2.49876 1.72844 -131.96224 286.86460
|
|
8355.0000 -133.59506 -131.07078 2.52428 1.74682 -131.70286 305.60293
|
|
8360.0000 -133.26039 -130.90820 2.35218 1.79134 -131.07472 346.77536
|
|
8365.0000 -133.41471 -130.87793 2.53678 1.79350 -131.04434 345.45398
|
|
8370.0000 -133.63988 -131.47078 2.16910 1.77541 -131.29956 328.29647
|
|
8375.0000 -133.49685 -130.90274 2.59410 1.78314 -131.19050 342.07609
|
|
8380.0000 -133.31138 -130.45736 2.85402 1.82150 -130.64924 378.20721
|
|
8385.0000 -134.04892 -131.15145 2.89747 1.80947 -130.81892 369.73894
|
|
8390.0000 -133.27928 -131.15285 2.12642 1.77107 -131.36082 338.45000
|
|
8395.0000 -133.24637 -131.05671 2.18966 1.77330 -131.32929 333.15717
|
|
8400.0000 -133.57701 -131.47190 2.10511 1.76301 -131.47443 320.22503
|
|
8405.0000 -133.71663 -131.52671 2.18992 1.76699 -131.41828 329.04402
|
|
8410.0000 -133.57476 -131.26776 2.30700 1.76808 -131.40294 329.88113
|
|
8415.0000 -133.32560 -131.60497 1.72063 1.77966 -131.23959 338.59205
|
|
8420.0000 -133.70191 -131.65572 2.04620 1.74369 -131.74712 305.07239
|
|
8425.0000 -134.11816 -131.56995 2.54821 1.77481 -131.30801 337.23692
|
|
8430.0000 -133.64890 -131.58587 2.06304 1.75860 -131.53676 319.54622
|
|
8435.0000 -133.74589 -131.73818 2.00771 1.75997 -131.51734 319.75582
|
|
8440.0000 -133.85792 -131.62099 2.23693 1.75377 -131.60492 314.23341
|
|
8445.0000 -133.84372 -131.20988 2.63384 1.76210 -131.48731 323.00253
|
|
8450.0000 -133.73964 -131.17773 2.56191 1.80241 -130.91854 360.63947
|
|
8455.0000 -133.80919 -131.56823 2.24096 1.77079 -131.36470 332.65802
|
|
8460.0000 -133.26640 -131.39922 1.86717 1.77991 -131.23609 337.72018
|
|
8465.0000 -133.52672 -131.69001 1.83671 1.78373 -131.18211 344.08712
|
|
8470.0000 -133.79022 -131.40678 2.38345 1.76001 -131.51688 329.06028
|
|
8475.0000 -133.82577 -131.32914 2.49663 1.77074 -131.36542 332.83097
|
|
8480.0000 -133.33886 -131.33871 2.00015 1.76043 -131.51096 322.88884
|
|
8485.0000 -133.86052 -131.79503 2.06549 1.75207 -131.62880 311.39456
|
|
8490.0000 -134.05769 -131.62164 2.43605 1.76775 -131.40755 325.65086
|
|
8495.0000 -133.29549 -131.11842 2.17707 1.79361 -131.04275 352.01156
|
|
8500.0000 -133.33893 -130.96871 2.37022 1.79162 -131.07086 345.64133
|
|
FREEZING PROCESS: loop number 35 T-loop= 302.00000000000000
|
|
main_MD> interactions number 35 at Temperature= 302.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.51431 -0.36292 -2.72991
|
|
force_rgl> df(natom) -2.34810 1.12891 0.95170
|
|
8505.0000 -133.86681 -132.12066 1.74615 1.72539 -132.00535 285.04584
|
|
8510.0000 -133.89175 -131.75551 2.13624 1.73191 -131.91333 295.53137
|
|
8515.0000 -133.57703 -131.44728 2.12974 1.74916 -131.66984 309.86816
|
|
8520.0000 -133.55944 -131.23636 2.32308 1.79296 -131.05189 343.28960
|
|
8525.0000 -133.63348 -131.39933 2.23415 1.76456 -131.45264 325.99947
|
|
8530.0000 -133.67302 -131.58527 2.08775 1.76061 -131.50830 322.21383
|
|
8535.0000 -133.39794 -131.03055 2.36740 1.75286 -131.61764 308.83678
|
|
8540.0000 -133.75102 -131.73713 2.01388 1.77896 -131.24950 343.15789
|
|
8545.0000 -133.87039 -131.62741 2.24298 1.74685 -131.70245 309.22979
|
|
8550.0000 -133.88059 -131.98105 1.89954 1.73226 -131.90837 290.65178
|
|
8555.0000 -133.81445 -131.73676 2.07769 1.73291 -131.89923 290.98431
|
|
8560.0000 -133.66995 -131.74335 1.92661 1.73293 -131.89892 293.39720
|
|
8565.0000 -133.58429 -131.96228 1.62200 1.73360 -131.88950 298.00558
|
|
8570.0000 -133.81368 -131.96107 1.85261 1.73777 -131.83069 297.83492
|
|
8575.0000 -133.75316 -131.28841 2.46475 1.75589 -131.57489 316.57838
|
|
8580.0000 -133.86096 -131.34741 2.51355 1.77830 -131.25873 338.84183
|
|
8585.0000 -133.63448 -131.58163 2.05285 1.76070 -131.50701 323.52856
|
|
8590.0000 -133.73119 -131.87693 1.85425 1.76009 -131.51570 319.39898
|
|
8595.0000 -134.00767 -131.75024 2.25743 1.74785 -131.68834 308.20607
|
|
8600.0000 -134.38319 -132.23957 2.14362 1.72652 -131.98939 289.83951
|
|
8605.0000 -133.82198 -132.08828 1.73369 1.71315 -132.17807 273.35449
|
|
8610.0000 -134.18013 -132.41468 1.76545 1.71681 -132.12642 283.56746
|
|
8615.0000 -133.40958 -131.54026 1.86932 1.73514 -131.86777 294.56475
|
|
8620.0000 -133.96717 -132.22572 1.74145 1.74182 -131.77350 305.41185
|
|
8625.0000 -133.88763 -131.66566 2.22197 1.72440 -132.01922 286.48454
|
|
8630.0000 -133.73424 -131.60949 2.12475 1.74901 -131.67205 303.53562
|
|
8635.0000 -133.87694 -132.02175 1.85519 1.73937 -131.80804 304.97107
|
|
8640.0000 -133.76879 -131.65951 2.10927 1.72670 -131.98682 289.51413
|
|
8645.0000 -133.96373 -132.08033 1.88341 1.74280 -131.75959 305.54971
|
|
8650.0000 -133.92993 -131.53010 2.39983 1.74291 -131.75803 302.33288
|
|
8655.0000 -133.70178 -132.12493 1.57685 1.72676 -131.98591 288.24997
|
|
8660.0000 -133.83874 -132.11311 1.72564 1.71595 -132.13856 283.19080
|
|
8665.0000 -134.07933 -131.97169 2.10764 1.72071 -132.07137 283.05508
|
|
8670.0000 -133.97943 -131.78880 2.19063 1.72413 -132.02300 287.34022
|
|
8675.0000 -133.70492 -131.61719 2.08773 1.74539 -131.72311 307.53069
|
|
8680.0000 -133.79909 -131.82913 1.96995 1.75315 -131.61365 318.41444
|
|
8685.0000 -134.08277 -132.01414 2.06863 1.73612 -131.85387 296.75360
|
|
8690.0000 -133.96477 -131.53925 2.42552 1.73799 -131.82746 302.91602
|
|
8695.0000 -133.87301 -131.93493 1.93808 1.73255 -131.90425 293.87395
|
|
8700.0000 -133.73959 -131.76039 1.97920 1.73979 -131.80214 301.09030
|
|
8705.0000 -133.69871 -132.02510 1.67361 1.72624 -131.99336 290.20058
|
|
8710.0000 -133.99454 -131.99288 2.00166 1.73731 -131.83713 300.33331
|
|
8715.0000 -133.71720 -131.42652 2.29068 1.75591 -131.57471 317.30102
|
|
8720.0000 -133.66637 -131.46405 2.20232 1.76369 -131.46493 320.95348
|
|
8725.0000 -133.66675 -131.47584 2.19091 1.75393 -131.60258 317.16708
|
|
8730.0000 -133.51091 -131.40353 2.10738 1.77213 -131.34584 332.53737
|
|
8735.0000 -133.76321 -131.49401 2.26919 1.76898 -131.39021 332.24862
|
|
8740.0000 -133.49117 -130.93057 2.56059 1.76839 -131.39861 328.54440
|
|
8745.0000 -133.53274 -131.08815 2.44458 1.79786 -130.98274 362.03474
|
|
8750.0000 -133.66845 -131.78627 1.88218 1.77125 -131.35829 333.82679
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 10 [min], 33.0766781 [s].
|
|
main_MD> Deallocating global variables
|