*** ***
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 = 2401051558513968962.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 2401051558513968962.atom to be opened.
Openam> File opened: 2401051558513968962.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 = 1239
First residue number = 1
Last residue number = 413
Number of atoms found = 9789
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -0.000003 +/- 20.338849 From: -35.737000 To: 50.566000
= 69.576480 +/- 20.338849 From: 23.040000 To: 116.216000
= 57.963189 +/- 20.257770 From: 0.999000 To: 99.216000
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 0.8662 % Filled.
Pdbmat> 3735138 non-zero elements.
Pdbmat> 408606 atom-atom interactions.
Pdbmat> Number per atom= 83.48 +/- 23.35
Maximum number = 135
Minimum number = 14
Pdbmat> Matrix trace = 8.172120E+06
Pdbmat> Larger element = 496.758
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1239 non-zero elements, NRBL set to 7
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 = 2401051558513968962.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2401051558513968962.atom to be opened.
Openam> file on opening on unit 11:
2401051558513968962.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9789 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1239 residues.
Blocpdb> 60 atoms in block 1
Block first atom: 1
Blocpdb> 62 atoms in block 2
Block first atom: 61
Blocpdb> 57 atoms in block 3
Block first atom: 123
Blocpdb> 53 atoms in block 4
Block first atom: 180
Blocpdb> 64 atoms in block 5
Block first atom: 233
Blocpdb> 49 atoms in block 6
Block first atom: 297
Blocpdb> 56 atoms in block 7
Block first atom: 346
Blocpdb> 48 atoms in block 8
Block first atom: 402
Blocpdb> 58 atoms in block 9
Block first atom: 450
Blocpdb> 60 atoms in block 10
Block first atom: 508
Blocpdb> 69 atoms in block 11
Block first atom: 568
Blocpdb> 55 atoms in block 12
Block first atom: 637
Blocpdb> 56 atoms in block 13
Block first atom: 692
Blocpdb> 56 atoms in block 14
Block first atom: 748
Blocpdb> 58 atoms in block 15
Block first atom: 804
Blocpdb> 53 atoms in block 16
Block first atom: 862
Blocpdb> 47 atoms in block 17
Block first atom: 915
Blocpdb> 49 atoms in block 18
Block first atom: 962
Blocpdb> 57 atoms in block 19
Block first atom: 1011
Blocpdb> 58 atoms in block 20
Block first atom: 1068
Blocpdb> 57 atoms in block 21
Block first atom: 1126
Blocpdb> 52 atoms in block 22
Block first atom: 1183
Blocpdb> 55 atoms in block 23
Block first atom: 1235
Blocpdb> 62 atoms in block 24
Block first atom: 1290
Blocpdb> 55 atoms in block 25
Block first atom: 1352
Blocpdb> 52 atoms in block 26
Block first atom: 1407
Blocpdb> 59 atoms in block 27
Block first atom: 1459
Blocpdb> 50 atoms in block 28
Block first atom: 1518
Blocpdb> 47 atoms in block 29
Block first atom: 1568
Blocpdb> 63 atoms in block 30
Block first atom: 1615
Blocpdb> 50 atoms in block 31
Block first atom: 1678
Blocpdb> 55 atoms in block 32
Block first atom: 1728
Blocpdb> 63 atoms in block 33
Block first atom: 1783
Blocpdb> 58 atoms in block 34
Block first atom: 1846
Blocpdb> 57 atoms in block 35
Block first atom: 1904
Blocpdb> 53 atoms in block 36
Block first atom: 1961
Blocpdb> 46 atoms in block 37
Block first atom: 2014
Blocpdb> 46 atoms in block 38
Block first atom: 2060
Blocpdb> 53 atoms in block 39
Block first atom: 2106
Blocpdb> 59 atoms in block 40
Block first atom: 2159
Blocpdb> 57 atoms in block 41
Block first atom: 2218
Blocpdb> 57 atoms in block 42
Block first atom: 2275
Blocpdb> 51 atoms in block 43
Block first atom: 2332
Blocpdb> 55 atoms in block 44
Block first atom: 2383
Blocpdb> 42 atoms in block 45
Block first atom: 2438
Blocpdb> 53 atoms in block 46
Block first atom: 2480
Blocpdb> 67 atoms in block 47
Block first atom: 2533
Blocpdb> 59 atoms in block 48
Block first atom: 2600
Blocpdb> 53 atoms in block 49
Block first atom: 2659
Blocpdb> 44 atoms in block 50
Block first atom: 2712
Blocpdb> 65 atoms in block 51
Block first atom: 2756
Blocpdb> 63 atoms in block 52
Block first atom: 2821
Blocpdb> 51 atoms in block 53
Block first atom: 2884
Blocpdb> 49 atoms in block 54
Block first atom: 2935
Blocpdb> 63 atoms in block 55
Block first atom: 2984
Blocpdb> 50 atoms in block 56
Block first atom: 3047
Blocpdb> 54 atoms in block 57
Block first atom: 3097
Blocpdb> 56 atoms in block 58
Block first atom: 3151
Blocpdb> 57 atoms in block 59
Block first atom: 3207
Blocpdb> 60 atoms in block 60
Block first atom: 3264
Blocpdb> 62 atoms in block 61
Block first atom: 3324
Blocpdb> 57 atoms in block 62
Block first atom: 3386
Blocpdb> 53 atoms in block 63
Block first atom: 3443
Blocpdb> 64 atoms in block 64
Block first atom: 3496
Blocpdb> 49 atoms in block 65
Block first atom: 3560
Blocpdb> 56 atoms in block 66
Block first atom: 3609
Blocpdb> 48 atoms in block 67
Block first atom: 3665
Blocpdb> 58 atoms in block 68
Block first atom: 3713
Blocpdb> 60 atoms in block 69
Block first atom: 3771
Blocpdb> 69 atoms in block 70
Block first atom: 3831
Blocpdb> 55 atoms in block 71
Block first atom: 3900
Blocpdb> 56 atoms in block 72
Block first atom: 3955
Blocpdb> 56 atoms in block 73
Block first atom: 4011
Blocpdb> 58 atoms in block 74
Block first atom: 4067
Blocpdb> 53 atoms in block 75
Block first atom: 4125
Blocpdb> 47 atoms in block 76
Block first atom: 4178
Blocpdb> 49 atoms in block 77
Block first atom: 4225
Blocpdb> 57 atoms in block 78
Block first atom: 4274
Blocpdb> 58 atoms in block 79
Block first atom: 4331
Blocpdb> 57 atoms in block 80
Block first atom: 4389
Blocpdb> 52 atoms in block 81
Block first atom: 4446
Blocpdb> 55 atoms in block 82
Block first atom: 4498
Blocpdb> 62 atoms in block 83
Block first atom: 4553
Blocpdb> 55 atoms in block 84
Block first atom: 4615
Blocpdb> 52 atoms in block 85
Block first atom: 4670
Blocpdb> 59 atoms in block 86
Block first atom: 4722
Blocpdb> 50 atoms in block 87
Block first atom: 4781
Blocpdb> 47 atoms in block 88
Block first atom: 4831
Blocpdb> 63 atoms in block 89
Block first atom: 4878
Blocpdb> 50 atoms in block 90
Block first atom: 4941
Blocpdb> 55 atoms in block 91
Block first atom: 4991
Blocpdb> 63 atoms in block 92
Block first atom: 5046
Blocpdb> 58 atoms in block 93
Block first atom: 5109
Blocpdb> 57 atoms in block 94
Block first atom: 5167
Blocpdb> 53 atoms in block 95
Block first atom: 5224
Blocpdb> 46 atoms in block 96
Block first atom: 5277
Blocpdb> 46 atoms in block 97
Block first atom: 5323
Blocpdb> 53 atoms in block 98
Block first atom: 5369
Blocpdb> 59 atoms in block 99
Block first atom: 5422
Blocpdb> 57 atoms in block 100
Block first atom: 5481
Blocpdb> 57 atoms in block 101
Block first atom: 5538
Blocpdb> 51 atoms in block 102
Block first atom: 5595
Blocpdb> 55 atoms in block 103
Block first atom: 5646
Blocpdb> 42 atoms in block 104
Block first atom: 5701
Blocpdb> 53 atoms in block 105
Block first atom: 5743
Blocpdb> 67 atoms in block 106
Block first atom: 5796
Blocpdb> 59 atoms in block 107
Block first atom: 5863
Blocpdb> 53 atoms in block 108
Block first atom: 5922
Blocpdb> 44 atoms in block 109
Block first atom: 5975
Blocpdb> 65 atoms in block 110
Block first atom: 6019
Blocpdb> 63 atoms in block 111
Block first atom: 6084
Blocpdb> 51 atoms in block 112
Block first atom: 6147
Blocpdb> 49 atoms in block 113
Block first atom: 6198
Blocpdb> 63 atoms in block 114
Block first atom: 6247
Blocpdb> 50 atoms in block 115
Block first atom: 6310
Blocpdb> 54 atoms in block 116
Block first atom: 6360
Blocpdb> 56 atoms in block 117
Block first atom: 6414
Blocpdb> 57 atoms in block 118
Block first atom: 6470
Blocpdb> 60 atoms in block 119
Block first atom: 6527
Blocpdb> 62 atoms in block 120
Block first atom: 6587
Blocpdb> 57 atoms in block 121
Block first atom: 6649
Blocpdb> 53 atoms in block 122
Block first atom: 6706
Blocpdb> 64 atoms in block 123
Block first atom: 6759
Blocpdb> 49 atoms in block 124
Block first atom: 6823
Blocpdb> 56 atoms in block 125
Block first atom: 6872
Blocpdb> 48 atoms in block 126
Block first atom: 6928
Blocpdb> 58 atoms in block 127
Block first atom: 6976
Blocpdb> 60 atoms in block 128
Block first atom: 7034
Blocpdb> 69 atoms in block 129
Block first atom: 7094
Blocpdb> 55 atoms in block 130
Block first atom: 7163
Blocpdb> 56 atoms in block 131
Block first atom: 7218
Blocpdb> 56 atoms in block 132
Block first atom: 7274
Blocpdb> 58 atoms in block 133
Block first atom: 7330
Blocpdb> 53 atoms in block 134
Block first atom: 7388
Blocpdb> 47 atoms in block 135
Block first atom: 7441
Blocpdb> 49 atoms in block 136
Block first atom: 7488
Blocpdb> 57 atoms in block 137
Block first atom: 7537
Blocpdb> 58 atoms in block 138
Block first atom: 7594
Blocpdb> 57 atoms in block 139
Block first atom: 7652
Blocpdb> 52 atoms in block 140
Block first atom: 7709
Blocpdb> 55 atoms in block 141
Block first atom: 7761
Blocpdb> 62 atoms in block 142
Block first atom: 7816
Blocpdb> 55 atoms in block 143
Block first atom: 7878
Blocpdb> 52 atoms in block 144
Block first atom: 7933
Blocpdb> 59 atoms in block 145
Block first atom: 7985
Blocpdb> 50 atoms in block 146
Block first atom: 8044
Blocpdb> 47 atoms in block 147
Block first atom: 8094
Blocpdb> 63 atoms in block 148
Block first atom: 8141
Blocpdb> 50 atoms in block 149
Block first atom: 8204
Blocpdb> 55 atoms in block 150
Block first atom: 8254
Blocpdb> 63 atoms in block 151
Block first atom: 8309
Blocpdb> 58 atoms in block 152
Block first atom: 8372
Blocpdb> 57 atoms in block 153
Block first atom: 8430
Blocpdb> 53 atoms in block 154
Block first atom: 8487
Blocpdb> 46 atoms in block 155
Block first atom: 8540
Blocpdb> 46 atoms in block 156
Block first atom: 8586
Blocpdb> 53 atoms in block 157
Block first atom: 8632
Blocpdb> 59 atoms in block 158
Block first atom: 8685
Blocpdb> 57 atoms in block 159
Block first atom: 8744
Blocpdb> 57 atoms in block 160
Block first atom: 8801
Blocpdb> 51 atoms in block 161
Block first atom: 8858
Blocpdb> 55 atoms in block 162
Block first atom: 8909
Blocpdb> 42 atoms in block 163
Block first atom: 8964
Blocpdb> 53 atoms in block 164
Block first atom: 9006
Blocpdb> 67 atoms in block 165
Block first atom: 9059
Blocpdb> 59 atoms in block 166
Block first atom: 9126
Blocpdb> 53 atoms in block 167
Block first atom: 9185
Blocpdb> 44 atoms in block 168
Block first atom: 9238
Blocpdb> 65 atoms in block 169
Block first atom: 9282
Blocpdb> 63 atoms in block 170
Block first atom: 9347
Blocpdb> 51 atoms in block 171
Block first atom: 9410
Blocpdb> 49 atoms in block 172
Block first atom: 9461
Blocpdb> 63 atoms in block 173
Block first atom: 9510
Blocpdb> 50 atoms in block 174
Block first atom: 9573
Blocpdb> 54 atoms in block 175
Block first atom: 9623
Blocpdb> 56 atoms in block 176
Block first atom: 9677
Blocpdb> 57 atoms in block 177
Block first atom: 9732
Blocpdb> 177 blocks.
Blocpdb> At most, 69 atoms in each of them.
Blocpdb> At least, 42 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> 3735315 matrix lines read.
Prepmat> Matrix order = 29367
Prepmat> Matrix trace = 8172120.0000
Prepmat> Last element read: 29367 29367 223.2818
Prepmat> 15754 lines saved.
Prepmat> 14223 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: 9789
RTB> Total mass = 9789.0000
RTB> Number of atoms found in matrix: 9789
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 197371.7352
RTB> 52425 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 = 1062
Diagstd> Nb of non-zero elements: 52425
Diagstd> Projected matrix trace = 197371.7352
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1062 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 197371.7352
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 0.1873721 0.1873840 0.2498889 0.3171607
0.5657580 0.5657626 0.7325252 0.7325360 0.9263604
1.0888000 1.0888384 1.1718639 2.5794947 2.6819470
2.6820350 2.9796421 2.9798338 3.0409560 3.6453328
3.6454349 3.9335767 4.8597769 4.8606428 5.3407543
6.5142403 6.5144674 7.5653132 7.8750474 7.8751869
8.2986431 9.0421102 9.0423573 9.4912217 10.6789711
10.6795044 10.6850727 11.3804712 11.3814079 11.9312635
13.2015173 13.4478346 13.4499400 13.8488614 14.2517142
14.2518681 16.4115851 16.4861622 16.4866830 17.2235159
17.5235827 17.5244471 19.7449324 19.8132815 19.8150722
20.8908204 20.8919247 21.0941623 22.4659833 22.7994916
22.8016033 25.1516753 25.1533814 25.9034490 27.2834971
27.4730006 27.4828124 28.1566325 28.2157032 28.2223753
28.9904992 28.9943984 29.3259139 30.1719562 30.1778252
31.7385313 31.7431449 31.7802570 32.0464585 33.0401708
33.2869581 33.2884867 34.1242285 34.1265483 34.6499950
35.4065886 35.4074862 35.4763631 36.5000316 36.5009822
37.8409111 38.4723097 38.4793080 39.1118483 39.4454501
39.4511902 39.9015796 40.4848003 40.4899259 40.7686170
41.5141880
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034327 0.0034333 0.0034334 0.0034334
0.0034336 47.0053959 47.0068945 54.2836200 61.1554212
81.6790382 81.6793766 92.9408355 92.9415201 104.5166004
113.3102874 113.3122821 117.5530413 174.4064730 177.8362835
177.8392025 187.4464973 187.4525267 189.3652769 207.3308234
207.3337255 215.3719268 239.3885894 239.4099168 250.9554192
277.1578395 277.1626712 298.6817847 304.7346701 304.7373694
312.8231057 326.5353303 326.5397918 334.5463834 354.8624004
354.8712615 354.9637634 366.3324594 366.3475362 375.0926017
394.5546846 398.2185250 398.2496973 404.1125279 409.9480576
409.9502699 439.9167977 440.9151939 440.9221579 450.6674432
454.5762388 454.5874515 482.5286509 483.3630916 483.3849331
496.3328591 496.3459770 498.7425505 514.7045363 518.5108652
518.5348775 544.6013818 544.6198530 552.6804181 567.2118535
569.1782915 569.2799218 576.2164285 576.8205435 576.8887393
584.6865821 584.7259003 588.0592127 596.4815496 596.5395601
611.7707284 611.8151910 612.1727343 614.7312642 624.1894478
626.5162429 626.5306287 634.3467235 634.3682848 639.2148684
646.1559129 646.1641029 646.7922774 656.0574934 656.0660371
667.9993999 673.5493331 673.6105911 679.1245814 682.0147047
682.0643261 685.9466261 690.9415041 690.9852414 693.3591800
699.6704851
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9789
Rtb_to_modes> Number of blocs = 177
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: 9.9925E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9928E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1874
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1874
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2499
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3172
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5658
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.5658
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.7325
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.7325
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.9264
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.089
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.089
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.172
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.579
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.682
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.682
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.980
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.980
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.041
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.645
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.645
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.934
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.860
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.861
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.341
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 6.514
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 6.514
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.565
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.875
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.875
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 8.299
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.042
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.042
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.491
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.68
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.68
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.69
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.93
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 13.20
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 13.45
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.45
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.85
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 16.41
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.49
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.49
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.22
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.81
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.82
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.89
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.89
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.09
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.80
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.80
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 25.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 25.15
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 25.90
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 27.28
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 27.47
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 27.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 28.16
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 28.22
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 28.22
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 29.33
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 30.17
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.18
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 31.74
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 31.74
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 32.05
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 33.29
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.29
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 34.12
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 34.13
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.65
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 35.41
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.41
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.48
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 36.50
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 36.50
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 37.84
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 38.47
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.48
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 39.11
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 39.90
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.48
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 40.49
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 40.77
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 41.51
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
1.00000 1.00000 1.00002 1.00002 1.00000
1.00000 1.00002 0.99999 1.00001 0.99999
1.00000 1.00001 1.00001 1.00000 1.00000
1.00002 1.00000 1.00000 0.99999 1.00001
1.00001 0.99999 1.00000 0.99999 1.00001
0.99998 0.99999 1.00000 0.99999 0.99999
1.00002 1.00002 1.00001 0.99999 1.00000
0.99999 1.00002 0.99997 0.99998 0.99999
1.00000 1.00000 1.00001 0.99997 1.00001
0.99999 1.00000 0.99998 0.99999 0.99999
1.00002 0.99998 1.00000 0.99999 0.99999
1.00002 0.99998 1.00001 1.00001 1.00000
0.99997 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 1.00002
1.00000 0.99999 0.99998 0.99999 0.99999
0.99999 1.00001 1.00001 1.00001 1.00000
0.99999 1.00000 1.00001 1.00000 1.00001
1.00003 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 0.99999 0.99999
1.00000 1.00002 0.99999 0.99998 1.00002
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 176202 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00000
1.00000 1.00000 1.00002 1.00002 1.00000
1.00000 1.00002 0.99999 1.00001 0.99999
1.00000 1.00001 1.00001 1.00000 1.00000
1.00002 1.00000 1.00000 0.99999 1.00001
1.00001 0.99999 1.00000 0.99999 1.00001
0.99998 0.99999 1.00000 0.99999 0.99999
1.00002 1.00002 1.00001 0.99999 1.00000
0.99999 1.00002 0.99997 0.99998 0.99999
1.00000 1.00000 1.00001 0.99997 1.00001
0.99999 1.00000 0.99998 0.99999 0.99999
1.00002 0.99998 1.00000 0.99999 0.99999
1.00002 0.99998 1.00001 1.00001 1.00000
0.99997 1.00000 0.99999 1.00000 0.99999
1.00000 1.00000 1.00000 1.00001 1.00002
1.00000 0.99999 0.99998 0.99999 0.99999
0.99999 1.00001 1.00001 1.00001 1.00000
0.99999 1.00000 1.00001 1.00000 1.00001
1.00003 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 0.99999 0.99999
1.00000 1.00002 0.99999 0.99998 1.00002
1.00001
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> 2401051558513968962.eigenfacs
Openam> file on opening on unit 10:
2401051558513968962.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401051558513968962.atom
Openam> file on opening on unit 11:
2401051558513968962.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 = 1239
First residue number = 1
Last residue number = 413
Number of atoms found = 9789
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 8.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 13.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 13.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 25.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 25.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 25.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 27.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 27.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 27.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 28.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 28.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 28.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 29.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 30.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 31.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 31.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 32.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 33.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 34.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 34.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 35.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 36.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 36.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 37.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 38.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 39.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 39.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 40.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 40.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 41.51
Bfactors> 106 vectors, 29367 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 : 0.187400
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= 0.577 for 1239 C-alpha atoms.
Bfactors> = 0.054 +/- 0.08
Bfactors> = 49.218 +/- 5.07
Bfactors> Shiftng-fct= 49.164
Bfactors> Scaling-fct= 62.268
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401051558513968962 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=0
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=100
2401051558513968962.eigenfacs
2401051558513968962.atom
making animated gifs
11 models are in 2401051558513968962.7.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 2401051558513968962.7.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 2401051558513968962.7.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 2401051558513968962 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=0
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=100
2401051558513968962.eigenfacs
2401051558513968962.atom
making animated gifs
11 models are in 2401051558513968962.8.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 2401051558513968962.8.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 2401051558513968962.8.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 2401051558513968962 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=0
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=100
2401051558513968962.eigenfacs
2401051558513968962.atom
making animated gifs
11 models are in 2401051558513968962.9.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 2401051558513968962.9.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 2401051558513968962.9.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 2401051558513968962 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=0
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=100
2401051558513968962.eigenfacs
2401051558513968962.atom
making animated gifs
11 models are in 2401051558513968962.10.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 2401051558513968962.10.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 2401051558513968962.10.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 2401051558513968962 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=-20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=0
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=20
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=40
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=60
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=80
2401051558513968962.eigenfacs
2401051558513968962.atom
calculating perturbed structure for DQ=100
2401051558513968962.eigenfacs
2401051558513968962.atom
making animated gifs
11 models are in 2401051558513968962.11.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 2401051558513968962.11.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 2401051558513968962.11.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
2401051558513968962.10.pdb
2401051558513968962.11.pdb
2401051558513968962.7.pdb
2401051558513968962.8.pdb
2401051558513968962.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m48.790s
user 0m48.574s
sys 0m0.192s
../../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: 2401051558513968962.Chkmod.res: No such file or directory
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
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
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
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
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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