*** TRANSPORT PROTEIN 21-OCT-10 3APV ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 240110225555577823.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240110225555577823.atom to be opened.
Openam> File opened: 240110225555577823.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 343
First residue number = 3
Last residue number = 175
Number of atoms found = 2869
Mean number per residue = 8.4
Pdbmat> Coordinate statistics:
= 10.924059 +/- 9.003198 From: -12.433000 To: 35.692000
= 1.434392 +/- 9.351257 From: -24.541000 To: 23.859000
= 30.070875 +/- 18.209800 From: -8.898000 To: 69.144000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.8703 % Filled.
Pdbmat> 1063306 non-zero elements.
Pdbmat> 116253 atom-atom interactions.
Pdbmat> Number per atom= 81.04 +/- 22.71
Maximum number = 127
Minimum number = 10
Pdbmat> Matrix trace = 2.325060E+06
Pdbmat> Larger element = 496.301
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
343 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 240110225555577823.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 240110225555577823.atom to be opened.
Openam> file on opening on unit 11:
240110225555577823.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2869 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 343 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 11 atoms in block 2
Block first atom: 16
Blocpdb> 16 atoms in block 3
Block first atom: 27
Blocpdb> 14 atoms in block 4
Block first atom: 43
Blocpdb> 14 atoms in block 5
Block first atom: 57
Blocpdb> 15 atoms in block 6
Block first atom: 71
Blocpdb> 13 atoms in block 7
Block first atom: 86
Blocpdb> 15 atoms in block 8
Block first atom: 99
Blocpdb> 19 atoms in block 9
Block first atom: 114
Blocpdb> 15 atoms in block 10
Block first atom: 133
Blocpdb> 13 atoms in block 11
Block first atom: 148
Blocpdb> 25 atoms in block 12
Block first atom: 161
Blocpdb> 20 atoms in block 13
Block first atom: 186
Blocpdb> 11 atoms in block 14
Block first atom: 206
Blocpdb> 16 atoms in block 15
Block first atom: 217
Blocpdb> 19 atoms in block 16
Block first atom: 233
Blocpdb> 18 atoms in block 17
Block first atom: 252
Blocpdb> 20 atoms in block 18
Block first atom: 270
Blocpdb> 15 atoms in block 19
Block first atom: 290
Blocpdb> 16 atoms in block 20
Block first atom: 305
Blocpdb> 17 atoms in block 21
Block first atom: 321
Blocpdb> 14 atoms in block 22
Block first atom: 338
Blocpdb> 18 atoms in block 23
Block first atom: 352
Blocpdb> 23 atoms in block 24
Block first atom: 370
Blocpdb> 18 atoms in block 25
Block first atom: 393
Blocpdb> 15 atoms in block 26
Block first atom: 411
Blocpdb> 16 atoms in block 27
Block first atom: 426
Blocpdb> 17 atoms in block 28
Block first atom: 442
Blocpdb> 15 atoms in block 29
Block first atom: 459
Blocpdb> 19 atoms in block 30
Block first atom: 474
Blocpdb> 20 atoms in block 31
Block first atom: 493
Blocpdb> 21 atoms in block 32
Block first atom: 513
Blocpdb> 18 atoms in block 33
Block first atom: 534
Blocpdb> 17 atoms in block 34
Block first atom: 552
Blocpdb> 15 atoms in block 35
Block first atom: 569
Blocpdb> 23 atoms in block 36
Block first atom: 584
Blocpdb> 14 atoms in block 37
Block first atom: 607
Blocpdb> 18 atoms in block 38
Block first atom: 621
Blocpdb> 16 atoms in block 39
Block first atom: 639
Blocpdb> 16 atoms in block 40
Block first atom: 655
Blocpdb> 20 atoms in block 41
Block first atom: 671
Blocpdb> 12 atoms in block 42
Block first atom: 691
Blocpdb> 14 atoms in block 43
Block first atom: 703
Blocpdb> 17 atoms in block 44
Block first atom: 717
Blocpdb> 21 atoms in block 45
Block first atom: 734
Blocpdb> 8 atoms in block 46
Block first atom: 755
Blocpdb> 20 atoms in block 47
Block first atom: 763
Blocpdb> 17 atoms in block 48
Block first atom: 783
Blocpdb> 15 atoms in block 49
Block first atom: 800
Blocpdb> 16 atoms in block 50
Block first atom: 815
Blocpdb> 19 atoms in block 51
Block first atom: 831
Blocpdb> 19 atoms in block 52
Block first atom: 850
Blocpdb> 16 atoms in block 53
Block first atom: 869
Blocpdb> 15 atoms in block 54
Block first atom: 885
Blocpdb> 19 atoms in block 55
Block first atom: 900
Blocpdb> 10 atoms in block 56
Block first atom: 919
Blocpdb> 20 atoms in block 57
Block first atom: 929
Blocpdb> 16 atoms in block 58
Block first atom: 949
Blocpdb> 18 atoms in block 59
Block first atom: 965
Blocpdb> 22 atoms in block 60
Block first atom: 983
Blocpdb> 12 atoms in block 61
Block first atom: 1005
Blocpdb> 17 atoms in block 62
Block first atom: 1017
Blocpdb> 17 atoms in block 63
Block first atom: 1034
Blocpdb> 17 atoms in block 64
Block first atom: 1051
Blocpdb> 16 atoms in block 65
Block first atom: 1068
Blocpdb> 14 atoms in block 66
Block first atom: 1084
Blocpdb> 18 atoms in block 67
Block first atom: 1098
Blocpdb> 17 atoms in block 68
Block first atom: 1116
Blocpdb> 13 atoms in block 69
Block first atom: 1133
Blocpdb> 23 atoms in block 70
Block first atom: 1146
Blocpdb> 14 atoms in block 71
Block first atom: 1169
Blocpdb> 16 atoms in block 72
Block first atom: 1183
Blocpdb> 14 atoms in block 73
Block first atom: 1199
Blocpdb> 19 atoms in block 74
Block first atom: 1213
Blocpdb> 18 atoms in block 75
Block first atom: 1232
Blocpdb> 14 atoms in block 76
Block first atom: 1250
Blocpdb> 15 atoms in block 77
Block first atom: 1264
Blocpdb> 19 atoms in block 78
Block first atom: 1279
Blocpdb> 22 atoms in block 79
Block first atom: 1298
Blocpdb> 18 atoms in block 80
Block first atom: 1320
Blocpdb> 17 atoms in block 81
Block first atom: 1338
Blocpdb> 15 atoms in block 82
Block first atom: 1355
Blocpdb> 15 atoms in block 83
Block first atom: 1370
Blocpdb> 18 atoms in block 84
Block first atom: 1385
Blocpdb> 19 atoms in block 85
Block first atom: 1403
Blocpdb> 15 atoms in block 86
Block first atom: 1422
Blocpdb> 11 atoms in block 87
Block first atom: 1437
Blocpdb> 16 atoms in block 88
Block first atom: 1448
Blocpdb> 14 atoms in block 89
Block first atom: 1464
Blocpdb> 14 atoms in block 90
Block first atom: 1478
Blocpdb> 15 atoms in block 91
Block first atom: 1492
Blocpdb> 13 atoms in block 92
Block first atom: 1507
Blocpdb> 15 atoms in block 93
Block first atom: 1520
Blocpdb> 19 atoms in block 94
Block first atom: 1535
Blocpdb> 15 atoms in block 95
Block first atom: 1554
Blocpdb> 13 atoms in block 96
Block first atom: 1569
Blocpdb> 25 atoms in block 97
Block first atom: 1582
Blocpdb> 20 atoms in block 98
Block first atom: 1607
Blocpdb> 11 atoms in block 99
Block first atom: 1627
Blocpdb> 16 atoms in block 100
Block first atom: 1638
Blocpdb> 19 atoms in block 101
Block first atom: 1654
Blocpdb> 18 atoms in block 102
Block first atom: 1673
Blocpdb> 20 atoms in block 103
Block first atom: 1691
Blocpdb> 15 atoms in block 104
Block first atom: 1711
Blocpdb> 16 atoms in block 105
Block first atom: 1726
Blocpdb> 17 atoms in block 106
Block first atom: 1742
Blocpdb> 14 atoms in block 107
Block first atom: 1759
Blocpdb> 18 atoms in block 108
Block first atom: 1773
Blocpdb> 23 atoms in block 109
Block first atom: 1791
Blocpdb> 18 atoms in block 110
Block first atom: 1814
Blocpdb> 15 atoms in block 111
Block first atom: 1832
Blocpdb> 16 atoms in block 112
Block first atom: 1847
Blocpdb> 17 atoms in block 113
Block first atom: 1863
Blocpdb> 15 atoms in block 114
Block first atom: 1880
Blocpdb> 19 atoms in block 115
Block first atom: 1895
Blocpdb> 20 atoms in block 116
Block first atom: 1914
Blocpdb> 21 atoms in block 117
Block first atom: 1934
Blocpdb> 18 atoms in block 118
Block first atom: 1955
Blocpdb> 17 atoms in block 119
Block first atom: 1973
Blocpdb> 15 atoms in block 120
Block first atom: 1990
Blocpdb> 23 atoms in block 121
Block first atom: 2005
Blocpdb> 14 atoms in block 122
Block first atom: 2028
Blocpdb> 18 atoms in block 123
Block first atom: 2042
Blocpdb> 16 atoms in block 124
Block first atom: 2060
Blocpdb> 16 atoms in block 125
Block first atom: 2076
Blocpdb> 20 atoms in block 126
Block first atom: 2092
Blocpdb> 12 atoms in block 127
Block first atom: 2112
Blocpdb> 14 atoms in block 128
Block first atom: 2124
Blocpdb> 17 atoms in block 129
Block first atom: 2138
Blocpdb> 21 atoms in block 130
Block first atom: 2155
Blocpdb> 8 atoms in block 131
Block first atom: 2176
Blocpdb> 20 atoms in block 132
Block first atom: 2184
Blocpdb> 17 atoms in block 133
Block first atom: 2204
Blocpdb> 15 atoms in block 134
Block first atom: 2221
Blocpdb> 16 atoms in block 135
Block first atom: 2236
Blocpdb> 19 atoms in block 136
Block first atom: 2252
Blocpdb> 19 atoms in block 137
Block first atom: 2271
Blocpdb> 16 atoms in block 138
Block first atom: 2290
Blocpdb> 15 atoms in block 139
Block first atom: 2306
Blocpdb> 19 atoms in block 140
Block first atom: 2321
Blocpdb> 10 atoms in block 141
Block first atom: 2340
Blocpdb> 20 atoms in block 142
Block first atom: 2350
Blocpdb> 16 atoms in block 143
Block first atom: 2370
Blocpdb> 18 atoms in block 144
Block first atom: 2386
Blocpdb> 22 atoms in block 145
Block first atom: 2404
Blocpdb> 12 atoms in block 146
Block first atom: 2426
Blocpdb> 17 atoms in block 147
Block first atom: 2438
Blocpdb> 17 atoms in block 148
Block first atom: 2455
Blocpdb> 17 atoms in block 149
Block first atom: 2472
Blocpdb> 16 atoms in block 150
Block first atom: 2489
Blocpdb> 14 atoms in block 151
Block first atom: 2505
Blocpdb> 18 atoms in block 152
Block first atom: 2519
Blocpdb> 17 atoms in block 153
Block first atom: 2537
Blocpdb> 13 atoms in block 154
Block first atom: 2554
Blocpdb> 23 atoms in block 155
Block first atom: 2567
Blocpdb> 14 atoms in block 156
Block first atom: 2590
Blocpdb> 16 atoms in block 157
Block first atom: 2604
Blocpdb> 14 atoms in block 158
Block first atom: 2620
Blocpdb> 19 atoms in block 159
Block first atom: 2634
Blocpdb> 18 atoms in block 160
Block first atom: 2653
Blocpdb> 14 atoms in block 161
Block first atom: 2671
Blocpdb> 15 atoms in block 162
Block first atom: 2685
Blocpdb> 19 atoms in block 163
Block first atom: 2700
Blocpdb> 22 atoms in block 164
Block first atom: 2719
Blocpdb> 18 atoms in block 165
Block first atom: 2741
Blocpdb> 17 atoms in block 166
Block first atom: 2759
Blocpdb> 15 atoms in block 167
Block first atom: 2776
Blocpdb> 15 atoms in block 168
Block first atom: 2791
Blocpdb> 18 atoms in block 169
Block first atom: 2806
Blocpdb> 19 atoms in block 170
Block first atom: 2824
Blocpdb> 18 atoms in block 171
Block first atom: 2843
Blocpdb> 9 atoms in block 172
Block first atom: 2860
Blocpdb> 172 blocks.
Blocpdb> At most, 25 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1063478 matrix lines read.
Prepmat> Matrix order = 8607
Prepmat> Matrix trace = 2325060.0000
Prepmat> Last element read: 8607 8607 237.5670
Prepmat> 14879 lines saved.
Prepmat> 13084 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 2869
RTB> Total mass = 2869.0000
RTB> Number of atoms found in matrix: 2869
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 232390.8688
RTB> 62004 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1032
Diagstd> Nb of non-zero elements: 62004
Diagstd> Projected matrix trace = 232390.8688
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 232390.8688
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.1568834 1.4996154 1.8620828 4.3920672
5.3907855 6.2235345 6.7994993 7.1066554 8.4941266
9.8979893 10.7468303 11.5723997 12.1156479 12.8704863
14.0006055 14.8959362 15.4549897 15.6782322 16.2388673
16.7294161 17.4294826 17.4758773 18.4324026 18.5821588
19.7144312 20.3917020 20.9284737 21.6047042 21.8196455
22.4061392 22.6247620 22.8763590 23.1136274 24.4799353
25.5352841 25.9896447 26.3059085 26.5664375 26.8252826
27.9299567 28.8867840 28.9728705 30.0080714 30.9091299
31.0861734 31.4247027 31.7583111 32.1671900 33.5384886
33.9387555 35.0501866 35.8448925 36.5352647 36.9663751
37.2339026 37.8458742 38.0711009 38.7559323 40.1759556
40.5917841 40.9605485 42.1435911 42.1863335 42.9242922
43.3343060 43.6399829 44.0992451 44.6501129 45.1986284
46.0579451 46.3236858 46.8286345 47.3683664 47.8590541
48.2555533 48.6648091 49.5423249 50.0833687 50.4148043
50.7340419 51.2136912 51.6650229 51.9802571 52.8003771
53.3576401 53.6653865 54.0407922 55.2420623 55.8600713
56.1351774 56.7823337 57.0558135 57.2177792 58.8523561
59.1121150 59.5587719 60.3448787 60.7276607 61.3141661
61.9101238
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034337 0.0034337 0.0034340 0.0034340
0.0034342 116.7992538 132.9796620 148.1817699 227.5777333
252.1281314 270.9030107 283.1612013 289.4862282 316.4861024
341.6400441 355.9880964 369.4085931 377.9798100 389.5765061
406.3204579 419.1111177 426.9034259 429.9756145 437.5958020
444.1561420 453.3540793 453.9570592 466.2150124 468.1050904
482.1558120 490.3678834 496.7799489 504.7419978 507.2465770
514.0185537 516.5201758 519.3841973 522.0707174 537.2796761
548.7387469 553.5991970 556.9573412 559.7085486 562.4286468
573.8923177 583.6397696 584.5087855 594.8593916 603.7243190
605.4508775 608.7386391 611.9613294 615.8881423 628.8789000
632.6204651 642.8955913 650.1430452 656.3740597 660.2352585
662.6200296 668.0432054 670.0280713 676.0275182 688.3009803
691.8538311 694.9893702 704.9544397 705.3118346 711.4540427
714.8438795 717.3606761 721.1255079 725.6155161 730.0589141
736.9661813 739.0891620 743.1064437 747.3765788 751.2376328
754.3431134 757.5351560 764.3345155 768.4967698 771.0354089
773.4727393 777.1204176 780.5371771 782.9147802 789.0668391
793.2198743 795.5040791 798.2816268 807.1053423 811.6074469
813.6035412 818.2799293 820.2480963 821.4115004 833.0617752
834.8982089 838.0465593 843.5590508 846.2302699 850.3068802
854.4292683
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2869
Rtb_to_modes> Number of blocs = 172
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.157
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.500
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.862
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.392
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.391
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.224
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.799
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.107
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.494
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.898
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.75
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.57
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 12.12
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.87
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 14.00
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.90
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.45
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.68
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.24
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.73
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.43
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 17.48
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 18.43
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.58
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.71
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 20.39
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.93
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 21.60
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 21.82
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 22.41
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.62
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.88
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.11
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 24.48
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 25.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 25.99
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 26.31
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.83
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 28.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.97
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 30.01
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 30.91
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 31.42
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.76
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 32.17
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 33.54
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 33.94
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 35.05
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 35.84
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 36.54
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.97
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 37.85
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.76
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 40.18
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.59
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.96
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 42.14
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.92
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 43.33
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.64
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.10
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.65
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.20
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 46.06
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.32
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 46.83
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 47.37
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 47.86
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 48.26
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 48.66
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.54
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.41
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 50.73
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.21
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 51.67
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 51.98
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 52.80
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 53.36
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 53.67
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 54.04
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 55.24
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 55.86
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.14
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 56.78
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 57.06
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 57.22
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.85
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 59.11
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 59.56
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 60.34
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 60.73
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 61.31
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.91
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00002 1.00000 1.00000
0.99999 1.00001 1.00001 1.00000 0.99998
0.99998 1.00001 1.00002 1.00000 0.99998
0.99998 1.00000 0.99999 1.00003 1.00000
1.00001 0.99998 1.00001 1.00002 0.99997
1.00002 1.00001 0.99999 1.00001 1.00000
1.00000 0.99998 1.00001 0.99999 1.00002
1.00000 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 1.00000 0.99996 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00000 0.99998 1.00001 1.00001 1.00000
1.00002 1.00002 1.00002 1.00002 1.00001
0.99999 1.00001 0.99999 1.00000 1.00002
0.99999 0.99998 0.99999 1.00001 1.00000
0.99999 0.99998 0.99999 0.99998 1.00001
1.00001 1.00000 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00000
0.99997 1.00004 0.99998 1.00000 0.99998
0.99999 1.00000 1.00000 1.00000 1.00000
1.00004 1.00001 1.00001 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 51642 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00002 1.00000 1.00000
0.99999 1.00001 1.00001 1.00000 0.99998
0.99998 1.00001 1.00002 1.00000 0.99998
0.99998 1.00000 0.99999 1.00003 1.00000
1.00001 0.99998 1.00001 1.00002 0.99997
1.00002 1.00001 0.99999 1.00001 1.00000
1.00000 0.99998 1.00001 0.99999 1.00002
1.00000 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 1.00000 0.99996 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00000 0.99998 1.00001 1.00001 1.00000
1.00002 1.00002 1.00002 1.00002 1.00001
0.99999 1.00001 0.99999 1.00000 1.00002
0.99999 0.99998 0.99999 1.00001 1.00000
0.99999 0.99998 0.99999 0.99998 1.00001
1.00001 1.00000 1.00000 1.00001 1.00000
0.99999 0.99999 0.99999 1.00001 1.00002
0.99998 0.99999 1.00000 1.00000 1.00000
0.99997 1.00004 0.99998 1.00000 0.99998
0.99999 1.00000 1.00000 1.00000 1.00000
1.00004 1.00001 1.00001 1.00000 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6: 0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000-0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000-0.000 0.000-0.000-0.000
Vector 10: 0.000-0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240110225555577823.eigenfacs
Openam> file on opening on unit 10:
240110225555577823.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240110225555577823.atom
Openam> file on opening on unit 11:
240110225555577823.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 343
First residue number = 3
Last residue number = 175
Number of atoms found = 2869
Mean number per residue = 8.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 12.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 14.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 17.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 21.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 21.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 24.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 25.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 25.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 26.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 28.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 30.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 30.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 31.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 32.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 33.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 33.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 35.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 35.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 36.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 37.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 40.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 42.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 43.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 46.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 46.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 47.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 47.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 48.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 48.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 50.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 51.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 51.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 52.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 53.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 53.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 54.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 55.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 55.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 56.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 57.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 57.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 59.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 59.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 60.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 60.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 61.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.91
Bfactors> 106 vectors, 8607 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.157000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.384 for 343 C-alpha atoms.
Bfactors> = 0.030 +/- 0.03
Bfactors> = 50.324 +/- 15.60
Bfactors> Shiftng-fct= 50.295
Bfactors> Scaling-fct= 480.206
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240110225555577823 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=0
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=100
240110225555577823.eigenfacs
240110225555577823.atom
making animated gifs
11 models are in 240110225555577823.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240110225555577823 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=0
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=100
240110225555577823.eigenfacs
240110225555577823.atom
making animated gifs
11 models are in 240110225555577823.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240110225555577823 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=0
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=100
240110225555577823.eigenfacs
240110225555577823.atom
making animated gifs
11 models are in 240110225555577823.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240110225555577823 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=0
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=100
240110225555577823.eigenfacs
240110225555577823.atom
making animated gifs
11 models are in 240110225555577823.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240110225555577823 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=-20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=0
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=20
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=40
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=60
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=80
240110225555577823.eigenfacs
240110225555577823.atom
calculating perturbed structure for DQ=100
240110225555577823.eigenfacs
240110225555577823.atom
making animated gifs
11 models are in 240110225555577823.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 240110225555577823.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240110225555577823.10.pdb
240110225555577823.11.pdb
240110225555577823.7.pdb
240110225555577823.8.pdb
240110225555577823.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m17.616s
user 0m17.583s
sys 0m0.032s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 240110225555577823.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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