3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.880985798302196 0.249999999999999 -0.685437943791059 0.499999999999999 -0.533597751814770 0.749999999999998 -0.415687675107989 0.999999999999998 -0.323664491915113 1.25000000000000 -0.252133388173106 1.50000000000000 -0.196332801151804 1.75000000000000 -0.152923002587139 2.00000000000000 -0.119089640669043 2.25000000000000 -9.275076524022280E-002 2.50000000000000 -7.223265029386394E-002 2.75000000000000 -5.625423085625414E-002 2.99999999999999 -4.380972065976368E-002 3.24999999999999 -3.411750368035571E-002 3.49999999999999 -2.656957902471885E-002 3.74999999999999 -2.069105653519798E-002 3.99999999999999 -1.611297547945151E-002 4.24999999999999 -1.254753840082262E-002 4.49999999999999 -9.770768050306078E-003 4.74999999999999 -7.608166988890552E-003 4.99999999999999 -5.923874343049140E-003 5.24999999999999 -4.612112380309508E-003 5.49999999999999 -3.590513234030923E-003 5.74999999999999 -2.794920682322066E-003 5.99999999999999 -2.175371712117624E-003 6.24999999999998 -1.692899883475985E-003 6.49999999999998 -1.317162296380292E-003 6.74999999999998 -1.024547557531064E-003 6.99999999999998 -7.966680164969153E-004 7.24999999999998 -6.192017507312131E-004 7.49999999999998 -4.810154248348075E-004 7.74999999999998 -3.734053016294925E-004 7.99999999999998 -2.896545034022924E-004 8.24999999999998 -2.244350439758458E-004 8.49999999999998 -1.737092481887137E-004 8.74999999999998 -1.342278111405304E-004 8.99999999999998 -1.035399881755827E-004 9.24999999999998 -7.967984915879800E-005 9.49999999999998 -6.114317176686423E-005 9.74999999999998 -4.676424934080270E-005 9.99999999999998 -3.559421148296993E-005 10.2500000000000 -2.693530802794220E-005 10.5000000000000 -2.021643072191992E-005 10.7500000000000 -1.500706118084949E-005 11.0000000000000 -1.096061943767213E-005 11.2500000000000 -7.819097051664503E-006 11.5000000000000 -5.377904928050015E-006 11.7500000000000 -3.480989803961165E-006 12.0000000000000 -2.014360474533738E-006 12.2500000000000 -8.736854721358434E-007 12.5000000000000 1.124352178027976E-008 12.7500000000000 6.706067550155126E-007 13.0000000000000 1.186942828801385E-006 13.2500000000000 1.564683678179080E-006 13.5000000000000 1.859099825862742E-006 13.7500000000000 2.052421501530510E-006 14.0000000000000 2.201873568696833E-006 14.2500000000000 2.285947686031520E-006 14.5000000000000 2.343185306008522E-006 14.7500000000000 2.360409991131185E-006 15.0000000000000 2.376746279453279E-006 15.2500000000000 2.354361236078795E-006 15.5000000000000 2.321529929405486E-006 15.7500000000000 2.290926461201437E-006 16.0000000000000 2.240631386762892E-006 16.2500000000000 2.187335489067799E-006 16.5000000000000 2.134059950531508E-006 16.7500000000000 2.084681669511923E-006 17.0000000000000 2.012714381827152E-006 17.2500000000000 1.971679510770485E-006 17.5000000000000 1.895464581624928E-006 17.7500000000000 1.850506053835410E-006 18.0000000000000 1.776440508916011E-006 18.2500000000000 1.741110479014374E-006 18.5000000000000 1.662705694460698E-006 18.7500000000000 1.617444141732705E-006 19.0000000000000 1.542211315208597E-006 19.2500000000000 1.514854954809408E-006 19.5000000000000 1.449181871060468E-006 19.7500000000000 1.413004393713280E-006 20.0000000000000 1.339273556943965E-006 20.2500000000000 1.306899318209709E-006 20.5000000000000 1.249606051967334E-006 20.7500000000000 1.203845334085685E-006 21.0000000000000 1.156852238115569E-006 21.2500000000000 1.103118919543178E-006 21.5000000000000 1.043584938020814E-006 21.7500000000000 9.796462197009248E-007 22.0000000000000 9.372852263211939E-007 22.2500000000000 8.673880109721921E-007 22.5000000000000 8.086100767856763E-007 22.7500000000000 7.280036300461035E-007 23.0000000000000 6.845459161741729E-007 23.2500000000000 6.026028218641954E-007 23.5000000000000 5.433205106930572E-007 23.7500000000000 4.489443093946832E-007 24.0000000000000 3.942505411025365E-007 24.2500000000000 3.128696651755192E-007 24.5000000000000 2.567216632609615E-007 24.7500000000000 1.676548391227328E-007 25.0000000000000 1.046666836534982E-007 25.2500000000000 2.984735414379713E-008 25.5000000000000 -5.371185202163176E-008 25.7500000000000 -1.120072432581054E-007 26.0000000000000 -1.817093988609741E-007 26.2500000000000 -2.405380845060812E-007 26.5000000000000 -3.269214252088481E-007 26.7500000000000 -3.822682554943668E-007 27.0000000000000 -4.514221808582519E-007 27.2500000000000 -4.873253179327186E-007 27.5000000000000 -5.720268535513995E-007 27.7500000000000 -6.270289856225020E-007 28.0000000000000 -7.032874150270096E-007 28.2500000000000 -7.386935259590111E-007 28.5000000000000 -8.271953935712340E-007 28.7500000000000 -8.786124082726943E-007 29.0000000000000 -9.466971811478153E-007 29.2500000000000 -9.947616638195100E-007 29.5000000000000 -1.075744992251604E-006 29.7500000000000 -1.140629609541755E-006 30.0000000000000 -1.202756659768323E-006 30.2500000000000 -1.271552601600501E-006 30.5000000000000 -1.331991004771549E-006 30.7500000000000 -1.394491538797560E-006 31.0000000000000 -1.459440779560950E-006 31.2500000000000 -1.538382266186300E-006 31.5000000000000 -1.581244761073020E-006 31.7500000000000 -1.661745449521579E-006 32.0000000000000 -1.695041475568981E-006 32.2500000000000 -1.772906750185932E-006 32.5000000000000 -1.826614586530884E-006 32.7500000000000 -1.882853140178220E-006 33.0000000000000 -1.925680507774974E-006 33.2500000000000 -1.993801106991988E-006 33.5000000000000 -2.040313112405823E-006 33.7500000000000 -2.103775227191296E-006 34.0000000000000 -2.154931071474131E-006 34.2500000000000 -2.233064853474076E-006 34.5000000000000 -2.293538793884942E-006 34.7500000000000 -2.383290402308003E-006 35.0000000000000 -2.459460517634238E-006 35.2500000000000 -2.558910322081331E-006 35.5000000000000 -2.649096060902689E-006 35.7500000000000 -2.751127356204197E-006 36.0000000000000 -2.873068708719728E-006 36.2500000000000 -2.976205263183207E-006 36.5000000000000 -3.100503651487507E-006 36.7500000000000 -3.226868078964884E-006 37.0000000000000 -3.355202487675957E-006 37.2500000000000 -3.490510801729130E-006 37.5000000000000 -3.632620227067562E-006 37.7500000000000 -3.779194186703805E-006 38.0000000000000 -3.924598569848836E-006 38.2500000000000 -4.086835916239373E-006 38.5000000000000 -4.244570033895556E-006 38.7500000000000 -4.406685350677453E-006 39.0000000000000 -4.565483073704080E-006 39.2500000000000 -4.733160733016994E-006 39.5000000000000 -4.896359626416213E-006 39.7500000000000 -5.063191386101007E-006 40.0000000000000 -5.236677206477136E-006 40.2500000000000 -5.417581938060856E-006 40.5000000000000 -5.587818897090369E-006 40.7500000000000 -5.770616719247279E-006 41.0000000000000 -5.924425702186209E-006 41.2500000000000 -6.088310149032772E-006 41.5000000000000 -6.208531485141222E-006 41.7500000000000 -6.328627883023241E-006 42.0000000000000 -6.370615891371223E-006 42.2500000000000 -6.343081516202442E-006 42.5000000000000 -6.177283792874189E-006 42.7500000000000 -5.941097936668083E-006 43.0000000000000 -5.651088062941234E-006 43.2500000000000 -5.374118409506856E-006 43.5000000000000 -5.094797309923571E-006 43.7500000000000 -4.853218771361245E-006 44.0000000000000 -4.668980275346346E-006 44.2500000000000 -4.589705127011623E-006 44.5000000000000 -4.417350926266828E-006 44.7500000000000 -2.694751824405817E-006 45.0000000000000 6.565133409686119E-006 45.2500000000000 3.509036099880181E-005 45.5000000000000 8.379323902052427E-005 45.7500000000000 1.120842877190276E-004 46.0000000000000 4.937361788803774E-005 46.2500000000000 -1.293017174605615E-004 46.5000000000000 -3.591007887320252E-004 46.7500000000000 -5.403530662191902E-004 47.0000000000000 -6.209862080179263E-004 47.2500000000000 -6.434461862332985E-004 47.5000000000000 -6.932381390928333E-004 47.7500000000000 -7.686040703385744E-004 48.0000000000000 -7.452852312870850E-004 48.2500000000000 -5.721438337039086E-004 48.5000000000000 -5.959053325261254E-004 48.7500000000000 -1.114900947784159E-003 49.0000000000000 -2.106957333784465E-003 49.2500000000000 -4.470195576619540E-003 49.5000000000000 -9.545544972596576E-003 49.7500000000000 -2.795073813345900E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 35028.7795221117 6018 1.00000000000000 400 9718.58109492921 2440 1.00000000000000 600 4375.83268424172 1437 1.00000000000000 800 2411.49562397458 998 1.00000000000000 1000 1773.96568099494 755 1.00000000000000 1200 1589.82298009416 628 1.00000000000000 1400 1509.14617501320 476 1.00000000000000 1600 1462.79078352586 386 1.00000000000000 1800 1463.68792414397 375 0.666666666666667 2000 1455.87157918321 227 0.444444444444444 -2*alpha*S = 6615.09898776746 Trace = 3.51165785289834 ratio= 1883.75384643686 200 1210.90807396662 1288 5.000000074505806E-002 400 1119.46928850242 1195 5.000000074505806E-002 600 1053.88523441852 1015 5.000000074505806E-002 800 1007.95589619922 903 5.000000074505806E-002 1000 972.397169559016 803 5.000000074505806E-002 1200 949.709917097766 640 5.000000074505806E-002 1400 932.100298882340 521 5.000000074505806E-002 1600 919.070416085336 485 5.000000074505806E-002 1800 909.076504022025 395 5.000000074505806E-002 2000 900.109035829458 343 5.000000074505806E-002 -2*alpha*S = 403.827537432289 Trace = 4.08214157198677 ratio= 98.9254121423688 200 890.641281073625 633 5.000000074505806E-002 400 882.676351667873 471 5.000000074505806E-002 600 876.201141565949 410 5.000000074505806E-002 800 869.678405979174 356 5.000000074505806E-002 1000 863.297858771233 323 5.000000074505806E-002 1200 858.139847980106 244 5.000000074505806E-002 1400 853.430874735995 243 5.000000074505806E-002 1600 848.650960398448 283 5.000000074505806E-002 1800 844.678741271561 208 3.333333383003870E-002 2000 842.817287372546 228 3.333333383003870E-002 -2*alpha*S = 22.2353980672189 Trace = 4.30352130821369 ratio= 5.16679167471077 200 842.005205653636 324 5.000000074505806E-002 400 840.527022300583 295 5.000000074505806E-002 600 839.322217190321 268 5.000000074505806E-002 800 838.174165054725 215 5.000000074505806E-002 1000 837.362515750791 249 3.333333383003870E-002 1200 836.638832030341 229 3.333333383003870E-002 1400 835.999354939176 268 2.222222255335914E-002 1600 835.503049068985 245 2.222222255335914E-002 1800 834.969084550569 226 2.222222255335914E-002 2000 834.444751274202 249 2.222222255335914E-002 -2*alpha*S = 4.48579828711298 Trace = 5.09750441703777 ratio= 0.879998901446709 200 834.438914519521 367 5.000000074505806E-002 400 833.072093171759 248 5.000000074505806E-002 600 831.677103151674 247 5.000000074505806E-002 800 830.565339993660 184 3.333333383003870E-002 1000 829.727459715084 233 3.333333383003870E-002 1200 828.918709298684 184 3.333333383003870E-002 1400 828.301626008952 242 2.222222255335914E-002 1600 827.725508717851 216 2.222222255335914E-002 1800 827.045160738102 208 2.222222255335914E-002 2000 826.420119218346 188 2.222222255335914E-002 -2*alpha*S = 5.34485340293091 Trace = 5.12983931789478 ratio= 1.04191438984962 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.591894604760399 0.249999999999999 -0.243137938515744 0.499999999999999 -0.116485923512611 0.749999999999998 -6.079821604691205E-002 0.999999999999998 -3.340848560853615E-002 1.25000000000000 -1.927116542956286E-002 1.50000000000000 -1.139902676695181E-002 1.75000000000000 -6.935291476909522E-003 2.00000000000000 -4.256087556585464E-003 2.25000000000000 -2.891590520850473E-003 2.50000000000000 -2.046419160791291E-003 2.75000000000000 -1.300656763936037E-003 2.99999999999999 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9.24999999999998 -2.535233208422749E-006 9.49999999999998 -2.659601487320362E-006 9.74999999999998 -2.746162834188492E-006 9.99999999999998 -2.799360164063014E-006 10.2500000000000 -2.835960354496958E-006 10.5000000000000 -2.860595776088548E-006 10.7500000000000 -2.876336019641546E-006 11.0000000000000 -2.911748001654946E-006 11.2500000000000 -2.943403088817576E-006 11.5000000000000 -2.992070306351291E-006 11.7500000000000 -3.060245965413877E-006 12.0000000000000 -3.133168936797492E-006 12.2500000000000 -3.205243750137310E-006 12.5000000000000 -3.296488486959070E-006 12.7500000000000 -3.371808354024619E-006 13.0000000000000 -3.467738427020972E-006 13.2500000000000 -3.574207600109958E-006 13.5000000000000 -3.656585022326908E-006 13.7500000000000 -3.790719228569106E-006 14.0000000000000 -3.877581023936649E-006 14.2500000000000 -3.998642853775269E-006 14.5000000000000 -4.119980528460854E-006 14.7500000000000 -4.221617877830930E-006 15.0000000000000 -4.357859226977734E-006 15.2500000000000 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-1.455795600541210E-005 27.5000000000000 -1.483968098120458E-005 27.7500000000000 -1.512151391636074E-005 28.0000000000000 -1.541594986875783E-005 28.2500000000000 -1.571273675138318E-005 28.5000000000000 -1.601300698078623E-005 28.7500000000000 -1.631476290192557E-005 29.0000000000000 -1.663234434501337E-005 29.2500000000000 -1.693719059098209E-005 29.5000000000000 -1.725207213665314E-005 29.7500000000000 -1.758923330508200E-005 30.0000000000000 -1.791888653335239E-005 30.2500000000000 -1.825289508744499E-005 30.5000000000000 -1.860131122816133E-005 30.7500000000000 -1.897327772254487E-005 31.0000000000000 -1.933318164681896E-005 31.2500000000000 -1.970118939564891E-005 31.5000000000000 -2.009632716915011E-005 31.7500000000000 -2.048667777448943E-005 32.0000000000000 -2.089440914704310E-005 32.2500000000000 -2.131582085035388E-005 32.5000000000000 -2.174072488059231E-005 32.7500000000000 -2.217571363183346E-005 33.0000000000000 -2.263829143989149E-005 33.2500000000000 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-2.326053878106138E-004 45.5000000000000 -2.877632650540307E-004 45.7500000000000 -3.639894346673112E-004 46.0000000000000 -5.007190140031703E-004 46.2500000000000 -7.115542905496985E-004 46.5000000000000 -9.379249601617623E-004 46.7500000000000 -1.153273972256896E-003 47.0000000000000 -1.451902702977625E-003 47.2500000000000 -1.916518991390725E-003 47.5000000000000 -2.513487075288146E-003 47.7500000000000 -3.318274916734809E-003 48.0000000000000 -4.670062157939803E-003 48.2500000000000 -6.639524586557921E-003 48.5000000000000 -1.002702922282639E-002 48.7500000000000 -1.553234255387886E-002 49.0000000000000 -2.399182344549805E-002 49.2500000000000 -3.892321418466865E-002 49.5000000000000 -6.732730802325221E-002 49.7500000000000 -0.136169614772672 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 27458.7344903077 47218 1.00000000000000 400 25631.9662442400 20549 1.00000000000000 600 24569.1464492502 13211 1.00000000000000 800 24224.4390072865 8602 1.00000000000000 1000 24010.0754799467 8243 1.00000000000000 1200 23957.5567017284 5144 1.00000000000000 1400 23943.2087926485 3779 1.00000000000000 1600 23942.7931681747 2457 1.00000000000000 1800 23960.6887456683 1929 1.00000000000000 2000 23981.5507963240 1578 1.00000000000000 -2*alpha*S = 1045.59258341685 Trace = 3.95246083643261 ratio= 264.542174277576 200 23784.3399124294 6920 5.000000074505806E-002 400 23746.8329618778 5887 5.000000074505806E-002 600 23704.0219317940 4505 5.000000074505806E-002 800 23666.5970883798 3026 5.000000074505806E-002 1000 23619.8216013016 1910 5.000000074505806E-002 1200 23555.4898938144 941 5.000000074505806E-002 1400 23493.2835934989 124 5.000000074505806E-002 1600 23417.7722756449 124 5.000000074505806E-002 1800 23344.5477086826 123 5.000000074505806E-002 2000 23235.4200057822 151 5.000000074505806E-002 -2*alpha*S = 113.167153561486 Trace = 5.53658192372867 ratio= 20.4398950689187 200 23155.7679889636 109 5.000000074505806E-002 400 23068.5219838870 140 5.000000074505806E-002 600 23006.2023780237 135 5.000000074505806E-002 800 22920.8776835818 118 5.000000074505806E-002 1000 22844.8285702891 118 5.000000074505806E-002 1200 22792.4074486856 124 5.000000074505806E-002 1400 22749.3034597016 122 5.000000074505806E-002 1600 22705.2507181271 132 5.000000074505806E-002 1800 22674.0377636271 102 5.000000074505806E-002 2000 22657.1098157933 157 5.000000074505806E-002 -2*alpha*S = 11.5073055270867 Trace = 6.19077185353267 ratio= 1.85878365401564 200 22648.7236924714 139 5.000000074505806E-002 400 22640.2164091716 126 5.000000074505806E-002 600 22629.9849679182 105 5.000000074505806E-002 800 22621.9410094781 81 5.000000074505806E-002 1000 22614.3407388640 81 5.000000074505806E-002 1200 22604.1478930829 88 5.000000074505806E-002 1400 22596.5893084509 86 5.000000074505806E-002 1600 22589.9968234162 63 5.000000074505806E-002 1800 22582.6984385587 73 5.000000074505806E-002 2000 22573.9678344607 73 5.000000074505806E-002 -2*alpha*S = 8.39503133183692 Trace = 6.59168658150483 ratio= 1.27357865517938 200 22568.1530888590 78 5.000000074505806E-002 400 22558.6596774897 76 5.000000074505806E-002 600 22550.9265681617 66 5.000000074505806E-002 800 22541.7238726865 66 5.000000074505806E-002 1000 22532.0006977746 67 5.000000074505806E-002 1200 22519.8550699397 75 5.000000074505806E-002 1400 22510.6313131028 55 5.000000074505806E-002 1600 22501.2689508924 61 5.000000074505806E-002 1800 22490.4236290284 79 5.000000074505806E-002 2000 22480.8532493676 86 5.000000074505806E-002 -2*alpha*S = 8.49856079702004 Trace = 6.81851316042872 ratio= 1.24639501267541 200 22473.0022302678 126 5.000000074505806E-002 400 22458.8426623193 61 5.000000074505806E-002 600 22448.7988341130 45 5.000000074505806E-002 800 22440.0967282165 48 5.000000074505806E-002 1000 22427.6430578118 56 5.000000074505806E-002 1200 22412.3278615283 52 5.000000074505806E-002 1400 22400.0526615945 45 5.000000074505806E-002 1600 22383.9727470920 58 5.000000074505806E-002 1800 22371.8627868407 46 5.000000074505806E-002 2000 22361.1074971587 41 5.000000074505806E-002 -2*alpha*S = 8.63999003485645 Trace = 7.01922991796305 ratio= 1.23090283917694 200 22347.6216359512 58 5.000000074505806E-002 400 22338.1306890228 43 5.000000074505806E-002 600 22324.3657062046 41 5.000000074505806E-002 800 22307.7739639949 55 5.000000074505806E-002 1000 22292.2022150234 37 5.000000074505806E-002 1200 22278.5717719487 51 5.000000074505806E-002 1400 22265.6912999199 43 5.000000074505806E-002 1600 22251.1762888523 39 5.000000074505806E-002 1800 22237.6653252681 40 5.000000074505806E-002 2000 22222.0090559395 38 5.000000074505806E-002 -2*alpha*S = 8.78523880671661 Trace = 7.32748485565321 ratio= 1.19894329088087 200 22207.7430407067 48 5.000000074505806E-002 400 22190.4965244417 59 5.000000074505806E-002 600 22173.9736801571 45 5.000000074505806E-002 800 22155.7729445626 36 5.000000074505806E-002 1000 22136.3712268116 53 5.000000074505806E-002 1200 22116.9797292634 41 5.000000074505806E-002 1400 22101.9108707313 40 5.000000074505806E-002 1600 22089.5287938845 39 5.000000074505806E-002 1800 22070.8196295082 34 5.000000074505806E-002 2000 22055.2258856005 43 5.000000074505806E-002 -2*alpha*S = 9.08460269834664 Trace = 7.76276934620586 ratio= 1.17027858141719 200 22039.5693144454 49 5.000000074505806E-002 400 22025.1167974416 40 5.000000074505806E-002 600 22013.4759796494 37 5.000000074505806E-002 800 21998.4884703241 34 5.000000074505806E-002 1000 21982.4730516382 44 5.000000074505806E-002 1200 21967.2146567366 42 5.000000074505806E-002 1400 21950.2494675987 35 5.000000074505806E-002 1600 21935.9226711720 46 3.333333383003870E-002 1800 21919.0814917490 64 3.333333383003870E-002 2000 21904.1723412577 58 3.333333383003870E-002 -2*alpha*S = 9.32284574946743 Trace = 7.58097383575711 ratio= 1.22976888608881 200 21890.5522635428 46 5.000000074505806E-002 400 21875.1118514161 45 5.000000074505806E-002 600 21860.8315729939 25 3.333333383003870E-002 800 21846.3258714690 42 3.333333383003870E-002 1000 21832.3483018048 50 3.333333383003870E-002 1200 21818.2916492946 23 3.333333383003870E-002 1400 21803.9542297197 42 2.222222255335914E-002 1600 21791.5403027259 38 2.222222255335914E-002 1800 21776.3128681524 39 2.222222255335914E-002 2000 21763.2676049442 34 2.222222255335914E-002 -2*alpha*S = 8.82080879334030 Trace = 7.93112360516343 ratio= 1.11217643709369 200 21749.8643345923 23 5.000000074505806E-002 400 21733.8577229479 42 3.333333383003870E-002 600 21718.7553780037 39 2.222222255335914E-002 800 21704.8653887543 38 2.222222255335914E-002 1000 21688.7035149856 41 2.222222255335914E-002 1200 21673.2294309563 38 2.222222255335914E-002 1400 21658.0166781881 43 2.222222255335914E-002 1600 21648.2654653160 31 2.222222255335914E-002 1800 21635.3472998780 32 2.222222255335914E-002 2000 21619.3960984592 35 2.222222255335914E-002 -2*alpha*S = 9.08155937383261 Trace = 7.97434246100380 ratio= 1.13884742450470 200 21606.1485316452 20 3.333333383003870E-002 400 21592.4475340317 33 3.333333383003870E-002 600 21578.4188842122 24 3.333333383003870E-002 800 21566.5336784997 27 3.333333383003870E-002 1000 21553.4856766124 21 2.222222255335914E-002 1200 21537.1450918532 29 2.222222255335914E-002 1400 21522.8097084430 35 2.222222255335914E-002 1600 21507.1729684745 31 2.222222255335914E-002 1800 21496.0646458675 27 2.222222255335914E-002 2000 21483.3421318112 48 1.481481503557276E-002 -2*alpha*S = 9.02283269951860 Trace = 8.22802699718030 ratio= 1.09659736199342 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.892935195760261 0.249999999999999 -0.702983356134589 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-2.463850337143969E-003 49.5000000000000 -6.316575117111256E-003 49.7500000000000 -2.099452387524386E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 42247.5913060723 5600 1.00000000000000 400 10557.8594664830 2180 1.00000000000000 600 3991.84898897105 1258 1.00000000000000 800 2103.34952597809 890 1.00000000000000 1000 1448.05619134259 729 1.00000000000000 1200 1213.89111359200 571 1.00000000000000 1400 1120.74407320081 439 1.00000000000000 1600 1086.83191251180 329 1.00000000000000 1800 1065.56023125246 306 0.666666666666667 2000 1056.74948293505 290 0.296296296296296 -2*alpha*S = 6875.29394097724 Trace = 3.35021899061016 ratio= 2052.19239704837 200 821.076765420480 1185 5.000000074505806E-002 400 730.263946779676 1131 5.000000074505806E-002 600 667.171632424037 959 5.000000074505806E-002 800 623.073376670993 817 5.000000074505806E-002 1000 586.755715256486 765 5.000000074505806E-002 1200 563.779909889627 607 5.000000074505806E-002 1400 546.079866393719 541 5.000000074505806E-002 1600 533.083392913109 435 5.000000074505806E-002 1800 524.315449915211 300 5.000000074505806E-002 2000 516.519838957749 268 5.000000074505806E-002 -2*alpha*S = 414.510426275766 Trace = 4.01978421812345 ratio= 103.117581388304 200 507.825429773342 567 5.000000074505806E-002 400 501.141567187317 427 5.000000074505806E-002 600 495.036068203244 393 5.000000074505806E-002 800 489.885795063334 353 5.000000074505806E-002 1000 485.096634109333 282 5.000000074505806E-002 1200 481.317278013490 248 5.000000074505806E-002 1400 478.496061872643 182 3.333333383003870E-002 1600 476.714873532870 249 3.333333383003870E-002 1800 475.413669676467 259 3.333333383003870E-002 2000 474.401744134779 243 3.333333383003870E-002 -2*alpha*S = 22.4459809010303 Trace = 4.23562213368275 ratio= 5.29933506639653 200 474.335614951307 287 5.000000074505806E-002 400 472.963710435049 286 5.000000074505806E-002 600 471.764288357238 259 5.000000074505806E-002 800 470.829238880334 242 5.000000074505806E-002 1000 470.043802167419 225 5.000000074505806E-002 1200 469.241194658592 210 5.000000074505806E-002 1400 468.504124400754 205 3.333333383003870E-002 1600 467.914057156650 187 3.333333383003870E-002 1800 467.437909636424 243 2.222222255335914E-002 2000 467.043787594094 245 2.222222255335914E-002 -2*alpha*S = 4.38694755594916 Trace = 5.09105192057618 ratio= 0.861697665706121 200 467.269223355971 306 5.000000074505806E-002 400 466.296680500096 266 5.000000074505806E-002 600 465.426217466501 264 5.000000074505806E-002 800 464.679669705878 187 5.000000074505806E-002 1000 463.917437169686 162 3.333333383003870E-002 1200 463.391780001085 178 3.333333383003870E-002 1400 462.960338274188 220 2.222222255335914E-002 1600 462.540609061759 195 2.222222255335914E-002 1800 462.116360659290 202 2.222222255335914E-002 2000 461.765480767501 234 1.481481503557276E-002 -2*alpha*S = 5.26999356503918 Trace = 5.09001462337640 ratio= 1.03535921897674 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.893806185033919 0.249999999999999 -0.704742716668744 0.499999999999999 -0.558756046051069 0.749999999999998 -0.442416853312878 0.999999999999998 -0.350591228750762 1.25000000000000 -0.277671078650896 1.50000000000000 -0.220020706195587 1.75000000000000 -0.174283449280685 2.00000000000000 -0.138081791685565 2.25000000000000 -0.109386859740187 2.50000000000000 -8.665872941277541E-002 2.75000000000000 -6.865210041898323E-002 2.99999999999999 -5.438623668710951E-002 3.24999999999999 -4.308524919829332E-002 3.49999999999999 -3.413168832794428E-002 3.74999999999999 -2.703879955284455E-002 3.99999999999999 -2.141953391202794E-002 4.24999999999999 -1.696788294662094E-002 4.49999999999999 -1.344124186584028E-002 4.74999999999999 -1.064737076438327E-002 4.99999999999999 -8.434059914267433E-003 5.24999999999999 -6.680672168557666E-003 5.49999999999999 -5.291659132872606E-003 5.74999999999999 -4.191305041755300E-003 5.99999999999999 -3.319610644789639E-003 6.24999999999998 -2.629054752768756E-003 6.49999999999998 -2.081981406427957E-003 6.74999999999998 -1.648570851990105E-003 6.99999999999998 -1.305212401807143E-003 7.24999999999998 -1.033191188331228E-003 7.49999999999998 -8.176897742750988E-004 7.74999999999998 -6.469649084954732E-004 7.99999999999998 -5.117072346895180E-004 8.24999999999998 -4.045590059078563E-004 8.49999999999998 -3.196758925930188E-004 8.74999999999998 -2.524385647674210E-004 8.99999999999998 -1.991931406026826E-004 9.24999999999998 -1.570243321373788E-004 9.49999999999998 -1.236493176448028E-004 9.74999999999998 -9.723074037198964E-005 9.99999999999998 -7.632790509320975E-005 10.2500000000000 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16.5000000000000 1.661481297432488E-006 16.7500000000000 1.651866979424099E-006 17.0000000000000 1.630499030014221E-006 17.2500000000000 1.600488407360601E-006 17.5000000000000 1.572425484708262E-006 17.7500000000000 1.532050147634578E-006 18.0000000000000 1.489869390747245E-006 18.2500000000000 1.442348301017304E-006 18.5000000000000 1.390282038937762E-006 18.7500000000000 1.342077933563779E-006 19.0000000000000 1.287664422644497E-006 19.2500000000000 1.234463364863103E-006 19.5000000000000 1.178412454283517E-006 19.7500000000000 1.120621867856109E-006 20.0000000000000 1.067692391276687E-006 20.2500000000000 1.008618099151981E-006 20.5000000000000 9.572040465810616E-007 20.7500000000000 9.018601576649132E-007 21.0000000000000 8.459103484348418E-007 21.2500000000000 7.960031120912703E-007 21.5000000000000 7.384885775119088E-007 21.7500000000000 6.875074103351864E-007 22.0000000000000 6.377613372965385E-007 22.2500000000000 5.846597541658838E-007 22.5000000000000 5.378128964395046E-007 22.7500000000000 4.880804180817933E-007 23.0000000000000 4.389185948028285E-007 23.2500000000000 3.909571506532927E-007 23.5000000000000 3.459944349915034E-007 23.7500000000000 3.026203505562819E-007 24.0000000000000 2.526219651244332E-007 24.2500000000000 2.092923595542473E-007 24.5000000000000 1.646459432125269E-007 24.7500000000000 1.218245692102826E-007 25.0000000000000 7.892207010140595E-008 25.2500000000000 3.060037911950531E-008 25.5000000000000 -1.109236946739145E-008 25.7500000000000 -5.560596672005147E-008 26.0000000000000 -9.657344057778516E-008 26.2500000000000 -1.411801184847405E-007 26.5000000000000 -1.872913452660718E-007 26.7500000000000 -2.266186301946860E-007 27.0000000000000 -2.706623042914025E-007 27.2500000000000 -3.117396372154246E-007 27.5000000000000 -3.546588919767224E-007 27.7500000000000 -3.997651499831889E-007 28.0000000000000 -4.397467494032803E-007 28.2500000000000 -4.846783556167189E-007 28.5000000000000 -5.260625142722297E-007 28.7500000000000 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-7.630190187180030E-006 47.0000000000000 -8.098420438917842E-006 47.2500000000000 3.567098157963855E-007 47.5000000000000 3.964038252601831E-005 47.7500000000000 6.404891706823790E-005 48.0000000000000 2.892555131606134E-005 48.2500000000000 -6.911671666620656E-005 48.5000000000000 -2.627631063970015E-004 48.7500000000000 -4.033251963375117E-004 49.0000000000000 -8.771085144749780E-004 49.2500000000000 -1.903003909715817E-003 49.5000000000000 -6.100179109528925E-003 49.7500000000000 -2.036968750347906E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 45060.1543698459 5759 1.00000000000000 400 10604.5255691820 2217 1.00000000000000 600 3833.38898744438 1335 1.00000000000000 800 1963.78120514827 814 1.00000000000000 1000 1351.46055679706 685 1.00000000000000 1200 1120.27843981367 538 1.00000000000000 1400 1061.90356769120 439 1.00000000000000 1600 1034.25475643930 315 1.00000000000000 1800 1015.23282489359 321 0.666666666666667 2000 1014.90461136123 289 0.296296296296296 -2*alpha*S = 6894.46645794748 Trace = 3.36743013163080 ratio= 2047.39703229079 200 775.140666418534 1145 5.000000074505806E-002 400 686.914563312454 1107 5.000000074505806E-002 600 625.716992373958 963 5.000000074505806E-002 800 583.691661258620 792 5.000000074505806E-002 1000 549.713886842120 786 5.000000074505806E-002 1200 528.358360806499 568 5.000000074505806E-002 1400 511.157971519794 546 5.000000074505806E-002 1600 499.513631503037 420 5.000000074505806E-002 1800 491.288744682546 336 5.000000074505806E-002 2000 484.016104074819 225 5.000000074505806E-002 -2*alpha*S = 414.575906923407 Trace = 4.01881984202719 ratio= 103.158619500168 200 476.302385040683 523 5.000000074505806E-002 400 470.000010207563 455 5.000000074505806E-002 600 464.528111479482 349 5.000000074505806E-002 800 460.066821240150 310 5.000000074505806E-002 1000 456.086295926380 290 5.000000074505806E-002 1200 452.808886021430 241 5.000000074505806E-002 1400 450.595701537322 170 3.333333383003870E-002 1600 449.163550158936 233 3.333333383003870E-002 1800 447.951718602645 243 3.333333383003870E-002 2000 446.999151049422 230 3.333333383003870E-002 -2*alpha*S = 22.3502741096874 Trace = 4.29405102655952 ratio= 5.20493910562467 200 446.871114545625 268 5.000000074505806E-002 400 445.816080726386 260 5.000000074505806E-002 600 444.840810922208 231 5.000000074505806E-002 800 443.899724346923 191 5.000000074505806E-002 1000 443.347057020969 231 3.333333383003870E-002 1200 442.790403716841 220 3.333333383003870E-002 1400 442.276415164756 238 3.333333383003870E-002 1600 441.805632610935 179 2.222222255335914E-002 1800 441.467361130523 197 2.222222255335914E-002 2000 441.096400684587 218 2.222222255335914E-002 -2*alpha*S = 4.42437044701065 Trace = 5.65023138209448 ratio= 0.783042347793302 200 441.227243912965 333 5.000000074505806E-002 400 440.529491742781 272 5.000000074505806E-002 600 439.865384492465 212 5.000000074505806E-002 800 439.210825829561 202 5.000000074505806E-002 1000 438.563532578032 169 3.333333383003870E-002 1200 438.050776066406 178 3.333333383003870E-002 1400 437.559402386052 161 2.222222255335914E-002 1600 437.197736079805 210 2.222222255335914E-002 1800 436.841466340473 219 2.222222255335914E-002 2000 436.498582279263 207 2.222222255335914E-002 -2*alpha*S = 5.82978175137311 Trace = 5.78754193660396 ratio= 1.00729840323091 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.890395669248311 0.249999999999999 -0.688643606525837 0.499999999999999 -0.533996269013941 0.749999999999998 -0.413873745020540 0.999999999999998 -0.320883204642848 1.25000000000000 -0.248733543092805 1.50000000000000 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7.74999999999998 -3.256469902758186E-004 7.99999999999998 -2.510708838946996E-004 8.24999999999998 -1.932670101604250E-004 8.49999999999998 -1.484633276775948E-004 8.74999999999998 -1.137416006852243E-004 8.99999999999998 -8.683726645325462E-005 9.24999999999998 -6.599124592715500E-005 9.49999999999998 -4.984881444430878E-005 9.74999999999998 -3.734746107431075E-005 9.99999999999998 -2.767396200487049E-005 10.2500000000000 -2.019701234473592E-005 10.5000000000000 -1.442352658354018E-005 10.7500000000000 -9.977055482779384E-006 11.0000000000000 -6.560125288379570E-006 11.2500000000000 -3.942808330992253E-006 11.5000000000000 -1.948404178220287E-006 11.7500000000000 -4.347917796354572E-007 12.0000000000000 7.024506247788054E-007 12.2500000000000 1.552678077110237E-006 12.5000000000000 2.178024217092123E-006 12.7500000000000 2.633671553953221E-006 13.0000000000000 2.957581982654389E-006 13.2500000000000 3.180449958950504E-006 13.5000000000000 3.331808392847968E-006 13.7500000000000 3.417318764742383E-006 14.0000000000000 3.460375315178510E-006 14.2500000000000 3.472342362975667E-006 14.5000000000000 3.451782665475633E-006 14.7500000000000 3.415571277365359E-006 15.0000000000000 3.367896703521112E-006 15.2500000000000 3.302213522293762E-006 15.5000000000000 3.231999924468987E-006 15.7500000000000 3.157298914313600E-006 16.0000000000000 3.073184662194528E-006 16.2500000000000 2.989420116672470E-006 16.5000000000000 2.904597827368960E-006 16.7500000000000 2.819716632518343E-006 17.0000000000000 2.732150771400654E-006 17.2500000000000 2.647757292306707E-006 17.5000000000000 2.568710117278883E-006 17.7500000000000 2.488285209545360E-006 18.0000000000000 2.410231084937209E-006 18.2500000000000 2.332828510809293E-006 18.5000000000000 2.258175473945911E-006 18.7500000000000 2.188546573189676E-006 19.0000000000000 2.119911590603429E-006 19.2500000000000 2.053791818390494E-006 19.5000000000000 1.988158142673946E-006 19.7500000000000 1.923467222053610E-006 20.0000000000000 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3.987076628853004E-007 26.5000000000000 3.302144282457675E-007 26.7500000000000 2.643766028320726E-007 27.0000000000000 1.971880453366381E-007 27.2500000000000 1.272404012153672E-007 27.5000000000000 5.633548871841754E-008 27.7500000000000 -1.587200348929230E-008 28.0000000000000 -8.914677479543442E-008 28.2500000000000 -1.635860452653404E-007 28.5000000000000 -2.372932041971865E-007 28.7500000000000 -3.143665271432283E-007 29.0000000000000 -3.940425511439472E-007 29.2500000000000 -4.737362986340088E-007 29.5000000000000 -5.545256351324745E-007 29.7500000000000 -6.365704456889887E-007 30.0000000000000 -7.202413905837979E-007 30.2500000000000 -8.028805379423076E-007 30.5000000000000 -8.865079939579523E-007 30.7500000000000 -9.728819033161251E-007 31.0000000000000 -1.059255649971114E-006 31.2500000000000 -1.146663846263163E-006 31.5000000000000 -1.233226093133588E-006 31.7500000000000 -1.317846562209901E-006 32.0000000000000 -1.407021272825659E-006 32.2500000000000 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-3.404478738977534E-006 38.5000000000000 -3.471703872437448E-006 38.7500000000000 -3.537472056391877E-006 39.0000000000000 -3.599115906471884E-006 39.2500000000000 -3.657691235559035E-006 39.5000000000000 -3.712331708094485E-006 39.7500000000000 -3.760467951474666E-006 40.0000000000000 -3.803296330262551E-006 40.2500000000000 -3.840637475882591E-006 40.5000000000000 -3.872975798402400E-006 40.7500000000000 -3.906799275199546E-006 41.0000000000000 -3.945158539853111E-006 41.2500000000000 -3.990127846353886E-006 41.5000000000000 -4.048246230736741E-006 41.7500000000000 -4.118840835676263E-006 42.0000000000000 -4.201573076734189E-006 42.2500000000000 -4.293550602996188E-006 42.5000000000000 -4.386708924331018E-006 42.7500000000000 -4.478211335035009E-006 43.0000000000000 -4.567264206389865E-006 43.2500000000000 -4.656564324800883E-006 43.5000000000000 -4.756441010278500E-006 43.7500000000000 -4.876195743519496E-006 44.0000000000000 -5.022181140124093E-006 44.2500000000000 -5.198186134147686E-006 44.5000000000000 -5.395531648411112E-006 44.7500000000000 -5.600823873963545E-006 45.0000000000000 -5.798280543478640E-006 45.2500000000000 -5.986217596010146E-006 45.5000000000000 -6.185444796857897E-006 45.7500000000000 -6.423445607806055E-006 46.0000000000000 -6.737843074422489E-006 46.2500000000000 -7.074890187641625E-006 46.5000000000000 -7.162759668999374E-006 46.7500000000000 -5.618434563758878E-006 47.0000000000000 -1.247627728351297E-006 47.2500000000000 6.500819186072704E-006 47.5000000000000 2.074444541766418E-005 47.7500000000000 3.261493337625154E-007 48.0000000000000 -9.213992705636720E-005 48.2500000000000 -1.490362598322026E-004 48.5000000000000 -1.059633321325304E-004 48.7500000000000 -1.450966072366611E-004 49.0000000000000 -3.707537014581153E-004 49.2500000000000 -1.326373400565128E-003 49.5000000000000 -4.713787567081684E-003 49.7500000000000 -1.938143727355379E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 34627.1179835282 6360 1.00000000000000 400 9521.55212827025 2436 1.00000000000000 600 3628.44603814013 1431 1.00000000000000 800 1764.50187192460 959 1.00000000000000 1000 1293.20895054615 699 1.00000000000000 1200 1094.46820060453 649 1.00000000000000 1400 1011.85355767328 552 1.00000000000000 1600 983.843481560441 376 1.00000000000000 1800 976.446700343794 334 0.666666666666667 2000 970.631747418106 220 0.444444444444444 -2*alpha*S = 6650.46790176878 Trace = 3.27024397761438 ratio= 2033.63050197259 200 726.779378416576 1370 5.000000074505806E-002 400 637.212520360615 1191 5.000000074505806E-002 600 573.600091689406 1046 5.000000074505806E-002 800 528.424272892312 873 5.000000074505806E-002 1000 495.605535518958 828 5.000000074505806E-002 1200 473.858370565042 634 5.000000074505806E-002 1400 457.166461223372 530 5.000000074505806E-002 1600 445.506689820231 459 5.000000074505806E-002 1800 436.896858258890 391 5.000000074505806E-002 2000 429.401902245526 277 5.000000074505806E-002 -2*alpha*S = 404.961866612295 Trace = 3.98340239910321 ratio= 101.662304241084 200 421.074031547773 646 5.000000074505806E-002 400 414.481370902635 467 5.000000074505806E-002 600 409.553750631242 383 5.000000074505806E-002 800 404.539038977122 375 5.000000074505806E-002 1000 400.780060952076 314 5.000000074505806E-002 1200 398.371242982090 227 5.000000074505806E-002 1400 396.411879445743 204 3.333333383003870E-002 1600 395.185645057074 296 3.333333383003870E-002 1800 394.052051433507 281 3.333333383003870E-002 2000 393.284025623395 192 2.222222255335914E-002 -2*alpha*S = 21.9573935526142 Trace = 4.23373930051682 ratio= 5.18628852511864 200 393.310406990847 394 5.000000074505806E-002 400 392.099387542206 338 5.000000074505806E-002 600 391.118097146951 309 5.000000074505806E-002 800 390.234903537704 265 5.000000074505806E-002 1000 389.523629885521 230 5.000000074505806E-002 1200 388.868208582093 198 3.333333383003870E-002 1400 388.310018128096 252 3.333333383003870E-002 1600 387.830001494692 219 3.333333383003870E-002 1800 387.440263004361 245 2.222222255335914E-002 2000 387.079243129719 207 2.222222255335914E-002 -2*alpha*S = 4.38510213804505 Trace = 5.08056192309927 ratio= 0.863113609167473 200 387.383870804452 342 5.000000074505806E-002 400 386.447611902290 259 5.000000074505806E-002 600 385.675066784644 267 5.000000074505806E-002 800 385.049712173794 181 3.333333383003870E-002 1000 384.574699087850 208 3.333333383003870E-002 1200 384.109292422080 182 2.222222255335914E-002 1400 383.800681749400 216 2.222222255335914E-002 1600 383.466464810782 188 2.222222255335914E-002 1800 383.151291477031 180 1.481481503557276E-002 2000 382.893534260289 218 1.481481503557276E-002 -2*alpha*S = 5.25741851323566 Trace = 5.07422577637329 ratio= 1.03610259868912 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.880985798302196 0.249999999999999 -0.685437943791059 0.499999999999999 -0.533597751814770 0.749999999999998 -0.415687675107989 0.999999999999998 -0.323664491915113 1.25000000000000 -0.252133388173106 1.50000000000000 -0.196332801151804 1.75000000000000 -0.152923002587139 2.00000000000000 -0.119089640669043 2.25000000000000 -9.275076524022280E-002 2.50000000000000 -7.223265029386394E-002 2.75000000000000 -5.625423085625414E-002 2.99999999999999 -4.380972065976368E-002 3.24999999999999 -3.411750368035571E-002 3.49999999999999 -2.656957902471885E-002 3.74999999999999 -2.069105653519798E-002 3.99999999999999 -1.611297547945151E-002 4.24999999999999 -1.254753840082262E-002 4.49999999999999 -9.770768050306078E-003 4.74999999999999 -7.608166988890552E-003 4.99999999999999 -5.923874343049140E-003 5.24999999999999 -4.612112380309508E-003 5.49999999999999 -3.590513234030923E-003 5.74999999999999 -2.794920682322066E-003 5.99999999999999 -2.175371712117624E-003 6.24999999999998 -1.692899883475985E-003 6.49999999999998 -1.317162296380292E-003 6.74999999999998 -1.024547557531064E-003 6.99999999999998 -7.966680164969153E-004 7.24999999999998 -6.192017507312131E-004 7.49999999999998 -4.810154248348075E-004 7.74999999999998 -3.734053016294925E-004 7.99999999999998 -2.896545034022924E-004 8.24999999999998 -2.244350439758458E-004 8.49999999999998 -1.737092481887137E-004 8.74999999999998 -1.342278111405304E-004 8.99999999999998 -1.035399881755827E-004 9.24999999999998 -7.967984915879800E-005 9.49999999999998 -6.114317176686423E-005 9.74999999999998 -4.676424934080270E-005 9.99999999999998 -3.559421148296993E-005 10.2500000000000 -2.693530802794220E-005 10.5000000000000 -2.021643072191992E-005 10.7500000000000 -1.500706118084949E-005 11.0000000000000 -1.096061943767213E-005 11.2500000000000 -7.819097051664503E-006 11.5000000000000 -5.377904928050015E-006 11.7500000000000 -3.480989803961165E-006 12.0000000000000 -2.014360474533738E-006 12.2500000000000 -8.736854721358434E-007 12.5000000000000 1.124352178027976E-008 12.7500000000000 6.706067550155126E-007 13.0000000000000 1.186942828801385E-006 13.2500000000000 1.564683678179080E-006 13.5000000000000 1.859099825862742E-006 13.7500000000000 2.052421501530510E-006 14.0000000000000 2.201873568696833E-006 14.2500000000000 2.285947686031520E-006 14.5000000000000 2.343185306008522E-006 14.7500000000000 2.360409991131185E-006 15.0000000000000 2.376746279453279E-006 15.2500000000000 2.354361236078795E-006 15.5000000000000 2.321529929405486E-006 15.7500000000000 2.290926461201437E-006 16.0000000000000 2.240631386762892E-006 16.2500000000000 2.187335489067799E-006 16.5000000000000 2.134059950531508E-006 16.7500000000000 2.084681669511923E-006 17.0000000000000 2.012714381827152E-006 17.2500000000000 1.971679510770485E-006 17.5000000000000 1.895464581624928E-006 17.7500000000000 1.850506053835410E-006 18.0000000000000 1.776440508916011E-006 18.2500000000000 1.741110479014374E-006 18.5000000000000 1.662705694460698E-006 18.7500000000000 1.617444141732705E-006 19.0000000000000 1.542211315208597E-006 19.2500000000000 1.514854954809408E-006 19.5000000000000 1.449181871060468E-006 19.7500000000000 1.413004393713280E-006 20.0000000000000 1.339273556943965E-006 20.2500000000000 1.306899318209709E-006 20.5000000000000 1.249606051967334E-006 20.7500000000000 1.203845334085685E-006 21.0000000000000 1.156852238115569E-006 21.2500000000000 1.103118919543178E-006 21.5000000000000 1.043584938020814E-006 21.7500000000000 9.796462197009248E-007 22.0000000000000 9.372852263211939E-007 22.2500000000000 8.673880109721921E-007 22.5000000000000 8.086100767856763E-007 22.7500000000000 7.280036300461035E-007 23.0000000000000 6.845459161741729E-007 23.2500000000000 6.026028218641954E-007 23.5000000000000 5.433205106930572E-007 23.7500000000000 4.489443093946832E-007 24.0000000000000 3.942505411025365E-007 24.2500000000000 3.128696651755192E-007 24.5000000000000 2.567216632609615E-007 24.7500000000000 1.676548391227328E-007 25.0000000000000 1.046666836534982E-007 25.2500000000000 2.984735414379713E-008 25.5000000000000 -5.371185202163176E-008 25.7500000000000 -1.120072432581054E-007 26.0000000000000 -1.817093988609741E-007 26.2500000000000 -2.405380845060812E-007 26.5000000000000 -3.269214252088481E-007 26.7500000000000 -3.822682554943668E-007 27.0000000000000 -4.514221808582519E-007 27.2500000000000 -4.873253179327186E-007 27.5000000000000 -5.720268535513995E-007 27.7500000000000 -6.270289856225020E-007 28.0000000000000 -7.032874150270096E-007 28.2500000000000 -7.386935259590111E-007 28.5000000000000 -8.271953935712340E-007 28.7500000000000 -8.786124082726943E-007 29.0000000000000 -9.466971811478153E-007 29.2500000000000 -9.947616638195100E-007 29.5000000000000 -1.075744992251604E-006 29.7500000000000 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-2.751127356204197E-006 36.0000000000000 -2.873068708719728E-006 36.2500000000000 -2.976205263183207E-006 36.5000000000000 -3.100503651487507E-006 36.7500000000000 -3.226868078964884E-006 37.0000000000000 -3.355202487675957E-006 37.2500000000000 -3.490510801729130E-006 37.5000000000000 -3.632620227067562E-006 37.7500000000000 -3.779194186703805E-006 38.0000000000000 -3.924598569848836E-006 38.2500000000000 -4.086835916239373E-006 38.5000000000000 -4.244570033895556E-006 38.7500000000000 -4.406685350677453E-006 39.0000000000000 -4.565483073704080E-006 39.2500000000000 -4.733160733016994E-006 39.5000000000000 -4.896359626416213E-006 39.7500000000000 -5.063191386101007E-006 40.0000000000000 -5.236677206477136E-006 40.2500000000000 -5.417581938060856E-006 40.5000000000000 -5.587818897090369E-006 40.7500000000000 -5.770616719247279E-006 41.0000000000000 -5.924425702186209E-006 41.2500000000000 -6.088310149032772E-006 41.5000000000000 -6.208531485141222E-006 41.7500000000000 -6.328627883023241E-006 42.0000000000000 -6.370615891371223E-006 42.2500000000000 -6.343081516202442E-006 42.5000000000000 -6.177283792874189E-006 42.7500000000000 -5.941097936668083E-006 43.0000000000000 -5.651088062941234E-006 43.2500000000000 -5.374118409506856E-006 43.5000000000000 -5.094797309923571E-006 43.7500000000000 -4.853218771361245E-006 44.0000000000000 -4.668980275346346E-006 44.2500000000000 -4.589705127011623E-006 44.5000000000000 -4.417350926266828E-006 44.7500000000000 -2.694751824405817E-006 45.0000000000000 6.565133409686119E-006 45.2500000000000 3.509036099880181E-005 45.5000000000000 8.379323902052427E-005 45.7500000000000 1.120842877190276E-004 46.0000000000000 4.937361788803774E-005 46.2500000000000 -1.293017174605615E-004 46.5000000000000 -3.591007887320252E-004 46.7500000000000 -5.403530662191902E-004 47.0000000000000 -6.209862080179263E-004 47.2500000000000 -6.434461862332985E-004 47.5000000000000 -6.932381390928333E-004 47.7500000000000 -7.686040703385744E-004 48.0000000000000 -7.452852312870850E-004 48.2500000000000 -5.721438337039086E-004 48.5000000000000 -5.959053325261254E-004 48.7500000000000 -1.114900947784159E-003 49.0000000000000 -2.106957333784465E-003 49.2500000000000 -4.470195576619540E-003 49.5000000000000 -9.545544972596576E-003 49.7500000000000 -2.795073813345900E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 7506.77276058776 60241 1.00000000000000 400 5161.67398876252 33336 1.00000000000000 600 2677.71911403392 9174 1.00000000000000 800 1684.05952569092 5337 1.00000000000000 1000 1314.94993087653 6369 1.00000000000000 1200 1244.50750682997 5842 1.00000000000000 1400 1195.49173493137 5517 1.00000000000000 1600 1181.36636655193 4547 1.00000000000000 1800 1189.03032801716 3376 1.00000000000000 2000 1170.63618968675 2436 1.00000000000000 -2*alpha*S = 2240.79912532147 Trace = 2.62304962636286 ratio= 854.272486040832 200 579.880302026171 6508 5.000000074505806E-002 400 365.530459700077 6353 5.000000074505806E-002 600 250.017345732614 5544 5.000000074505806E-002 800 177.267479611836 4696 5.000000074505806E-002 1000 125.145963631597 3989 5.000000074505806E-002 1200 90.6457432661130 3390 5.000000074505806E-002 1400 67.9893809504737 2978 5.000000074505806E-002 1600 53.3032872157501 2370 5.000000074505806E-002 1800 44.7559858129714 1858 5.000000074505806E-002 2000 39.9360852886030 1288 5.000000074505806E-002 -2*alpha*S = 272.231003123500 Trace = 4.17970935487382 ratio= 65.1315629891970 200 21.9310331468816 3014 5.000000074505806E-002 400 15.4420624664270 2722 5.000000074505806E-002 600 10.8871494084051 2174 5.000000074505806E-002 800 7.47414718707038 1927 5.000000074505806E-002 1000 5.36003505806631 1603 5.000000074505806E-002 1200 4.03953521602178 1366 5.000000074505806E-002 1400 3.07590872656200 1184 5.000000074505806E-002 1600 2.41962940614499 1028 5.000000074505806E-002 1800 1.98655454540190 716 5.000000074505806E-002 2000 1.70779102103480 611 5.000000074505806E-002 -2*alpha*S = 18.3258389752054 Trace = 5.14395631086000 ratio= 3.56259615512589 200 2.35739801074041 1743 5.000000074505806E-002 400 1.91677575387645 1489 5.000000074505806E-002 600 1.56176125002971 1268 5.000000074505806E-002 800 1.26226659515858 1140 5.000000074505806E-002 1000 1.06411684872334 901 5.000000074505806E-002 1200 0.895256065914494 797 5.000000074505806E-002 1400 0.767489832611713 639 5.000000074505806E-002 1600 0.664630748340609 439 5.000000074505806E-002 1800 0.590803052205146 359 5.000000074505806E-002 2000 0.530733404650569 349 5.000000074505806E-002 -2*alpha*S = 5.57788034761135 Trace = 5.79242691200069 ratio= 0.962960850840458 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.591894604760399 0.249999999999999 -0.243137938515744 0.499999999999999 -0.116485923512611 0.749999999999998 -6.079821604691205E-002 0.999999999999998 -3.340848560853615E-002 1.25000000000000 -1.927116542956286E-002 1.50000000000000 -1.139902676695181E-002 1.75000000000000 -6.935291476909522E-003 2.00000000000000 -4.256087556585464E-003 2.25000000000000 -2.891590520850473E-003 2.50000000000000 -2.046419160791291E-003 2.75000000000000 -1.300656763936037E-003 2.99999999999999 -9.994930161010274E-004 3.24999999999999 -9.662135372415226E-004 3.49999999999999 -8.815821721471773E-004 3.74999999999999 -6.912778508602613E-004 3.99999999999999 -5.097689148712004E-004 4.24999999999999 -3.884137662628073E-004 4.49999999999999 -2.762078043233585E-004 4.74999999999999 -1.501515279881960E-004 4.99999999999999 -4.240663074484008E-005 5.24999999999999 1.967470089858647E-005 5.49999999999999 3.977292251611253E-005 5.74999999999999 3.637731120775811E-005 5.99999999999999 2.509407506090522E-005 6.24999999999998 1.420119614625737E-005 6.49999999999998 6.701481257587183E-006 6.74999999999998 2.577075124632344E-006 6.99999999999998 5.545380853400061E-007 7.24999999999998 -4.884125145432350E-007 7.49999999999998 -1.169351796004303E-006 7.74999999999998 -1.578216717701419E-006 7.99999999999998 -1.793905830327347E-006 8.24999999999998 -1.927542478297184E-006 8.49999999999998 -2.061328722879896E-006 8.74999999999998 -2.221184105033469E-006 8.99999999999998 -2.393203165307334E-006 9.24999999999998 -2.535233208422749E-006 9.49999999999998 -2.659601487320362E-006 9.74999999999998 -2.746162834188492E-006 9.99999999999998 -2.799360164063014E-006 10.2500000000000 -2.835960354496958E-006 10.5000000000000 -2.860595776088548E-006 10.7500000000000 -2.876336019641546E-006 11.0000000000000 -2.911748001654946E-006 11.2500000000000 -2.943403088817576E-006 11.5000000000000 -2.992070306351291E-006 11.7500000000000 -3.060245965413877E-006 12.0000000000000 -3.133168936797492E-006 12.2500000000000 -3.205243750137310E-006 12.5000000000000 -3.296488486959070E-006 12.7500000000000 -3.371808354024619E-006 13.0000000000000 -3.467738427020972E-006 13.2500000000000 -3.574207600109958E-006 13.5000000000000 -3.656585022326908E-006 13.7500000000000 -3.790719228569106E-006 14.0000000000000 -3.877581023936649E-006 14.2500000000000 -3.998642853775269E-006 14.5000000000000 -4.119980528460854E-006 14.7500000000000 -4.221617877830930E-006 15.0000000000000 -4.357859226977734E-006 15.2500000000000 -4.484025643181067E-006 15.5000000000000 -4.609830570267981E-006 15.7500000000000 -4.751335698771619E-006 16.0000000000000 -4.892304406423076E-006 16.2500000000000 -5.029706995784977E-006 16.5000000000000 -5.184023687210271E-006 16.7500000000000 -5.338249662478756E-006 17.0000000000000 -5.499185624924241E-006 17.2500000000000 -5.663046148796091E-006 17.5000000000000 -5.828203665958487E-006 17.7500000000000 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-5.548086799384011E-005 42.0000000000000 -5.716880160883120E-005 42.2500000000000 -5.896261110732715E-005 42.5000000000000 -6.089229104488947E-005 42.7500000000000 -6.308143277566902E-005 43.0000000000000 -6.570434348035503E-005 43.2500000000000 -6.883793857254128E-005 43.5000000000000 -7.271089901544903E-005 43.7500000000000 -7.761423905722209E-005 44.0000000000000 -8.433072960534194E-005 44.2500000000000 -9.477792647283323E-005 44.5000000000000 -1.124396605194367E-004 44.7500000000000 -1.413915381046071E-004 45.0000000000000 -1.828366291596328E-004 45.2500000000000 -2.326053878106138E-004 45.5000000000000 -2.877632650540307E-004 45.7500000000000 -3.639894346673112E-004 46.0000000000000 -5.007190140031703E-004 46.2500000000000 -7.115542905496985E-004 46.5000000000000 -9.379249601617623E-004 46.7500000000000 -1.153273972256896E-003 47.0000000000000 -1.451902702977625E-003 47.2500000000000 -1.916518991390725E-003 47.5000000000000 -2.513487075288146E-003 47.7500000000000 -3.318274916734809E-003 48.0000000000000 -4.670062157939803E-003 48.2500000000000 -6.639524586557921E-003 48.5000000000000 -1.002702922282639E-002 48.7500000000000 -1.553234255387886E-002 49.0000000000000 -2.399182344549805E-002 49.2500000000000 -3.892321418466865E-002 49.5000000000000 -6.732730802325221E-002 49.7500000000000 -0.136169614772672 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 273.713572951668 77506 1.00000000000000 400 287.752059709265 72012 1.00000000000000 600 225.757584842422 72202 1.00000000000000 800 189.060578530724 93990 1.00000000000000 1000 165.071043984641 99635 1.00000000000000 1200 154.227582525070 111739 1.00000000000000 1400 144.525551779931 110765 1.00000000000000 1600 147.864403453160 105661 1.00000000000000 1800 149.213276305042 99477 1.00000000000000 2000 158.454516927333 89863 1.00000000000000 -2*alpha*S = -50.3599391550734 Trace = 2.52650592773435 ratio= -19.9326423905262 200 74.3643456378919 110564 5.000000074505806E-002 400 57.5875761377546 105843 5.000000074505806E-002 600 41.6016847687624 101537 5.000000074505806E-002 800 28.3442113273295 97406 5.000000074505806E-002 1000 19.7135931786516 91239 5.000000074505806E-002 1200 16.4353579298695 85079 5.000000074505806E-002 1400 15.9781923608881 84529 5.000000074505806E-002 1600 15.9434561672781 79715 5.000000074505806E-002 1800 15.9227051972274 72845 5.000000074505806E-002 2000 15.9028755063543 64180 5.000000074505806E-002 -2*alpha*S = 29.6027123693222 Trace = 4.55303357401825 ratio= 6.50175578283657 200 9.57103363819473 66920 5.000000074505806E-002 400 7.93679231568754 60054 5.000000074505806E-002 600 5.79767750053462 53786 5.000000074505806E-002 800 3.66211979641192 48073 5.000000074505806E-002 1000 2.16137201298450 43340 5.000000074505806E-002 1200 1.49276340487380 39917 5.000000074505806E-002 1400 1.37282817362813 38391 5.000000074505806E-002 1600 1.35024138316530 37059 5.000000074505806E-002 1800 1.33783099630736 33903 5.000000074505806E-002 2000 1.32256843804373 29967 5.000000074505806E-002 -2*alpha*S = 9.29005619551786 Trace = 5.49160589628506 ratio= 1.69168297415559 200 1.14696801279573 44287 5.000000074505806E-002 400 1.01466412508034 43712 5.000000074505806E-002 600 0.888747899483322 42749 5.000000074505806E-002 800 0.742922257326995 41223 5.000000074505806E-002 1000 0.637890588665953 39161 5.000000074505806E-002 1200 0.605573329994410 38571 5.000000074505806E-002 1400 0.586388315233985 37611 5.000000074505806E-002 1600 0.578990419805663 36892 5.000000074505806E-002 1800 0.575372625070770 34168 5.000000074505806E-002 2000 0.568360448957447 30757 5.000000074505806E-002 -2*alpha*S = 6.02144214414736 Trace = 5.89948296621473 ratio= 1.02067285872865 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.892935195760261 0.249999999999999 -0.702983356134589 0.499999999999999 -0.554326416649501 0.749999999999998 -0.437080331589628 0.999999999999998 -0.344682370754348 1.25000000000000 -0.271816975297952 1.50000000000000 -0.214360253058319 1.75000000000000 -0.169046336964309 2.00000000000000 -0.133316314019750 2.25000000000000 -0.105135853295788 2.50000000000000 -8.291447387413475E-002 2.75000000000000 -6.538821535724526E-002 2.99999999999999 -5.156660962324683E-002 3.24999999999999 -4.066592825669041E-002 3.49999999999999 -3.206922213547131E-002 3.74999999999999 -2.528959298563699E-002 3.99999999999999 -1.994298610198264E-002 4.24999999999999 -1.572660319416397E-002 4.49999999999999 -1.240151027817799E-002 4.74999999999999 -9.779288116992024E-003 4.99999999999999 -7.711326539771968E-003 5.24999999999999 -6.080447220440932E-003 5.49999999999999 -4.794263526163023E-003 5.74999999999999 -3.779931985896434E-003 5.99999999999999 -2.980014242527917E-003 6.24999999999998 -2.349204331618060E-003 6.49999999999998 -1.851766093093787E-003 6.74999999999998 -1.459507072558985E-003 6.99999999999998 -1.150189549978808E-003 7.24999999999998 -9.062788207794825E-004 7.49999999999998 -7.139406127217862E-004 7.74999999999998 -5.622690270757902E-004 7.99999999999998 -4.426662315530350E-004 8.24999999999998 -3.483478964833586E-004 8.49999999999998 -2.739685576640949E-004 8.74999999999998 -2.153137841785502E-004 8.99999999999998 -1.690576173728475E-004 9.24999999999998 -1.325864963905854E-004 9.49999999999998 -1.038321225763084E-004 9.74999999999998 -8.116569060090395E-005 9.99999999999998 -6.330037387214382E-005 10.2500000000000 -4.922558757169959E-005 10.5000000000000 -3.813819152720388E-005 10.7500000000000 -2.940935913042786E-005 11.0000000000000 -2.253730402379528E-005 11.2500000000000 -1.713259957142332E-005 11.5000000000000 -1.288091353596199E-005 11.7500000000000 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-2.284051768943751E-004 48.5000000000000 -3.168003392730045E-004 48.7500000000000 -6.448562331095031E-004 49.0000000000000 -1.323874287132931E-003 49.2500000000000 -2.463850337143969E-003 49.5000000000000 -6.316575117111256E-003 49.7500000000000 -2.099452387524386E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 8597.08875558061 66141 1.00000000000000 400 5890.89263356396 37842 1.00000000000000 600 2595.13714474041 7629 1.00000000000000 800 1838.26941292599 4326 1.00000000000000 1000 1336.69381960252 5540 1.00000000000000 1200 1262.82186177529 5303 1.00000000000000 1400 1245.81377429727 5129 1.00000000000000 1600 1218.64004640866 3764 1.00000000000000 1800 1209.68027991122 2999 1.00000000000000 2000 1203.35432562616 2105 1.00000000000000 -2*alpha*S = 2446.15349988723 Trace = 2.62478756988624 ratio= 931.943418184216 200 589.577976594070 5458 5.000000074505806E-002 400 371.489329924035 5836 5.000000074505806E-002 600 257.456622502717 5077 5.000000074505806E-002 800 181.344193218598 4314 5.000000074505806E-002 1000 131.507488881807 3571 5.000000074505806E-002 1200 94.9700035160391 3138 5.000000074505806E-002 1400 70.5797392754756 2810 5.000000074505806E-002 1600 54.9095202327509 2213 5.000000074505806E-002 1800 45.6304284425673 1780 5.000000074505806E-002 2000 40.6140114706802 1212 5.000000074505806E-002 -2*alpha*S = 285.428950049243 Trace = 4.02809262554759 ratio= 70.8595796032472 200 22.7453410730594 2906 5.000000074505806E-002 400 16.0515632609008 2313 5.000000074505806E-002 600 11.1776470874352 2017 5.000000074505806E-002 800 7.63323032094885 1743 5.000000074505806E-002 1000 5.61689905576939 1520 5.000000074505806E-002 1200 4.18528902177499 1262 5.000000074505806E-002 1400 3.19104557575766 1099 5.000000074505806E-002 1600 2.51174108824280 969 5.000000074505806E-002 1800 2.05808612183123 759 5.000000074505806E-002 2000 1.77561507305183 601 5.000000074505806E-002 -2*alpha*S = 18.9740195830495 Trace = 4.60516171950931 ratio= 4.12016357702878 200 2.37375213189367 1483 5.000000074505806E-002 400 1.92296286657808 1341 5.000000074505806E-002 600 1.58064934807938 1163 5.000000074505806E-002 800 1.28230863014746 1041 5.000000074505806E-002 1000 1.07512432943524 844 5.000000074505806E-002 1200 0.874607905510346 689 5.000000074505806E-002 1400 0.749152648928996 511 5.000000074505806E-002 1600 0.641395373852741 410 5.000000074505806E-002 1800 0.559753739192782 351 5.000000074505806E-002 2000 0.508056789970883 247 5.000000074505806E-002 -2*alpha*S = 5.00171947169048 Trace = 5.13191366913728 ratio= 0.974630477860576 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.893806185033919 0.249999999999999 -0.704742716668744 0.499999999999999 -0.558756046051069 0.749999999999998 -0.442416853312878 0.999999999999998 -0.350591228750762 1.25000000000000 -0.277671078650896 1.50000000000000 -0.220020706195587 1.75000000000000 -0.174283449280685 2.00000000000000 -0.138081791685565 2.25000000000000 -0.109386859740187 2.50000000000000 -8.665872941277541E-002 2.75000000000000 -6.865210041898323E-002 2.99999999999999 -5.438623668710951E-002 3.24999999999999 -4.308524919829332E-002 3.49999999999999 -3.413168832794428E-002 3.74999999999999 -2.703879955284455E-002 3.99999999999999 -2.141953391202794E-002 4.24999999999999 -1.696788294662094E-002 4.49999999999999 -1.344124186584028E-002 4.74999999999999 -1.064737076438327E-002 4.99999999999999 -8.434059914267433E-003 5.24999999999999 -6.680672168557666E-003 5.49999999999999 -5.291659132872606E-003 5.74999999999999 -4.191305041755300E-003 5.99999999999999 -3.319610644789639E-003 6.24999999999998 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24.7500000000000 1.218245692102826E-007 25.0000000000000 7.892207010140595E-008 25.2500000000000 3.060037911950531E-008 25.5000000000000 -1.109236946739145E-008 25.7500000000000 -5.560596672005147E-008 26.0000000000000 -9.657344057778516E-008 26.2500000000000 -1.411801184847405E-007 26.5000000000000 -1.872913452660718E-007 26.7500000000000 -2.266186301946860E-007 27.0000000000000 -2.706623042914025E-007 27.2500000000000 -3.117396372154246E-007 27.5000000000000 -3.546588919767224E-007 27.7500000000000 -3.997651499831889E-007 28.0000000000000 -4.397467494032803E-007 28.2500000000000 -4.846783556167189E-007 28.5000000000000 -5.260625142722297E-007 28.7500000000000 -5.672576935400464E-007 29.0000000000000 -6.136286164193372E-007 29.2500000000000 -6.559440247078108E-007 29.5000000000000 -6.999059627976756E-007 29.7500000000000 -7.431439446037302E-007 30.0000000000000 -7.867654873150443E-007 30.2500000000000 -8.288439933834546E-007 30.5000000000000 -8.694564712086184E-007 30.7500000000000 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-4.033251963375117E-004 49.0000000000000 -8.771085144749780E-004 49.2500000000000 -1.903003909715817E-003 49.5000000000000 -6.100179109528925E-003 49.7500000000000 -2.036968750347906E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 8603.70828050441 64161 1.00000000000000 400 5931.39089774602 38136 1.00000000000000 600 2795.08189255328 7725 1.00000000000000 800 1729.73628570069 5485 1.00000000000000 1000 1375.31986648895 4531 1.00000000000000 1200 1268.05693747870 5193 1.00000000000000 1400 1236.15111889132 4591 1.00000000000000 1600 1203.72962301576 3848 1.00000000000000 1800 1205.80421010999 2905 1.00000000000000 2000 1203.41920207770 2042 1.00000000000000 -2*alpha*S = 2490.02422603090 Trace = 2.62124342506362 ratio= 949.940094163694 200 587.564540524006 5290 5.000000074505806E-002 400 370.669625637942 5272 5.000000074505806E-002 600 255.588353975441 4876 5.000000074505806E-002 800 177.808157292996 4351 5.000000074505806E-002 1000 126.325384463648 3567 5.000000074505806E-002 1200 90.7195377170434 3118 5.000000074505806E-002 1400 67.5946224008353 2743 5.000000074505806E-002 1600 52.8908477428009 2141 5.000000074505806E-002 1800 44.3362109345698 1658 5.000000074505806E-002 2000 39.6393082983430 1150 5.000000074505806E-002 -2*alpha*S = 287.451920738295 Trace = 3.99485648840699 ratio= 71.9555061796278 200 21.6854998042635 2820 5.000000074505806E-002 400 15.4426593311331 2221 5.000000074505806E-002 600 10.7952187288279 1947 5.000000074505806E-002 800 7.38130661501720 1764 5.000000074505806E-002 1000 5.33634912102933 1421 5.000000074505806E-002 1200 4.00770816093065 1279 5.000000074505806E-002 1400 3.01740290911787 1083 5.000000074505806E-002 1600 2.37045544378803 950 5.000000074505806E-002 1800 1.95283113990950 714 5.000000074505806E-002 2000 1.69787716770308 550 5.000000074505806E-002 -2*alpha*S = 19.0135323521149 Trace = 4.45230892693890 ratio= 4.27048811394750 200 2.30858369944835 1541 5.000000074505806E-002 400 1.85732783893188 1334 5.000000074505806E-002 600 1.48786568110158 1141 5.000000074505806E-002 800 1.21067462620182 960 5.000000074505806E-002 1000 1.00773790617699 819 5.000000074505806E-002 1200 0.833802156715901 648 5.000000074505806E-002 1400 0.706819068104829 516 5.000000074505806E-002 1600 0.606928474248581 452 5.000000074505806E-002 1800 0.538210572769409 324 5.000000074505806E-002 2000 0.481219222901993 274 5.000000074505806E-002 -2*alpha*S = 4.83088795383711 Trace = 4.93368789428474 ratio= 0.979163671750151 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1 3.14159265358979 Number of spins Number of times idg, delta-GEstimate Delta-G Beta = 0.000000000000000E+000 -0.890395669248311 0.249999999999999 -0.688643606525837 0.499999999999999 -0.533996269013941 0.749999999999998 -0.413873745020540 0.999999999999998 -0.320883204642848 1.25000000000000 -0.248733543092805 1.50000000000000 -0.192837893206326 1.75000000000000 -0.149489512227662 2.00000000000000 -0.115891417760379 2.25000000000000 -8.984087449663708E-002 2.50000000000000 -6.964622047796831E-002 2.75000000000000 -5.399018801582639E-002 2.99999999999999 -4.185284773141568E-002 3.24999999999999 -3.244403846515259E-002 3.49999999999999 -2.515008521309930E-002 3.74999999999999 -1.949583818048789E-002 3.99999999999999 -1.511254445278043E-002 4.24999999999999 -1.171448996713115E-002 4.49999999999999 -9.080196540134866E-003 4.74999999999999 -7.037981536419546E-003 4.99999999999999 -5.454768186182568E-003 5.24999999999999 -4.227374438644516E-003 5.49999999999999 -3.275821573011595E-003 5.74999999999999 -2.538114426008264E-003 5.99999999999999 -1.966196208753324E-003 6.24999999999998 -1.522815964522639E-003 6.49999999999998 -1.179093414841959E-003 6.74999999999998 -9.126368253772332E-004 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-1.938143727355379E-002 Number of frequencies= 600 Delta frequency= 3.000000000000000E-002 Number of annealing steps= 2000 Starting Alpha= 1200.00000000000 Number of smoothed runs= 0 Random number seed= 1234 iflat,eim= 0 4.900000000000000E-002 Normalization= 1.00000000000000 Starting Maxent 1 Finished GETDATA FLATMODEL 200 7825.16835982403 60082 1.00000000000000 400 5620.59486820517 28507 1.00000000000000 600 2802.18374287509 7460 1.00000000000000 800 1711.65637549587 5930 1.00000000000000 1000 1360.17959163149 6311 1.00000000000000 1200 1249.63797403338 6342 1.00000000000000 1400 1214.29536284892 5449 1.00000000000000 1600 1200.07559623803 4638 1.00000000000000 1800 1189.64203240532 3542 1.00000000000000 2000 1179.41525730797 2654 1.00000000000000 -2*alpha*S = 2254.04692556933 Trace = 2.59756031211767 ratio= 867.755376094313 200 589.124593107321 6495 5.000000074505806E-002 400 374.756649554967 6645 5.000000074505806E-002 600 261.588890940177 5747 5.000000074505806E-002 800 183.895582417036 5061 5.000000074505806E-002 1000 131.865779494113 4145 5.000000074505806E-002 1200 96.2586915486475 3583 5.000000074505806E-002 1400 71.6996792459222 3157 5.000000074505806E-002 1600 55.8744181169217 2462 5.000000074505806E-002 1800 46.2202762159546 2084 5.000000074505806E-002 2000 41.0695032350488 1413 5.000000074505806E-002 -2*alpha*S = 274.096244867356 Trace = 3.94956891264509 ratio= 69.3990283318766 200 22.5883426594475 3075 5.000000074505806E-002 400 16.0072745104843 2608 5.000000074505806E-002 600 11.2884736743702 2242 5.000000074505806E-002 800 7.77095712903570 1867 5.000000074505806E-002 1000 5.51939522289067 1649 5.000000074505806E-002 1200 4.13172896558603 1382 5.000000074505806E-002 1400 3.18880435895910 1274 5.000000074505806E-002 1600 2.49399057215186 1030 5.000000074505806E-002 1800 2.03342469413905 767 5.000000074505806E-002 2000 1.73156153356525 614 5.000000074505806E-002 -2*alpha*S = 18.4609768661197 Trace = 4.28615868025924 ratio= 4.30711465516790 200 2.35175755564965 1761 5.000000074505806E-002 400 1.89884959102376 1430 5.000000074505806E-002 600 1.56448386922355 1277 5.000000074505806E-002 800 1.26152357929764 1135 5.000000074505806E-002 1000 1.06198948402191 880 5.000000074505806E-002 1200 0.891560523177919 791 5.000000074505806E-002 1400 0.749377568137678 644 5.000000074505806E-002 1600 0.638131824116742 531 5.000000074505806E-002 1800 0.552951218360088 392 5.000000074505806E-002 2000 0.486394215038407 326 5.000000074505806E-002 -2*alpha*S = 4.67375755564308 Trace = 4.77417538087580 ratio= 0.978966456566516 Finished CONTINUE mu= 0.000000000000000E+000 ict = 1