*** AF-ESR1 ***
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 = 2403052243171750954.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 2403052243171750954.atom to be opened.
Openam> File opened: 2403052243171750954.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 = 595
First residue number = 1
Last residue number = 595
Number of atoms found = 4637
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -3.200962 +/- 20.668661 From: -59.561000 To: 64.476000
= -4.972265 +/- 19.961570 From: -58.429000 To: 46.763000
= 5.603577 +/- 24.723993 From: -53.110000 To: 68.884000
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 1.2337 % Filled.
Pdbmat> 1193763 non-zero elements.
Pdbmat> 129574 atom-atom interactions.
Pdbmat> Number per atom= 55.89 +/- 27.73
Maximum number = 127
Minimum number = 8
Pdbmat> Matrix trace = 2.591480E+06
Pdbmat> Larger element = 469.627
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
595 non-zero elements, NRBL set to 3
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 = 2403052243171750954.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2403052243171750954.atom to be opened.
Openam> file on opening on unit 11:
2403052243171750954.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4637 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 595 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 25 atoms in block 2
Block first atom: 24
Blocpdb> 21 atoms in block 3
Block first atom: 49
Blocpdb> 18 atoms in block 4
Block first atom: 70
Blocpdb> 21 atoms in block 5
Block first atom: 88
Blocpdb> 27 atoms in block 6
Block first atom: 109
Blocpdb> 21 atoms in block 7
Block first atom: 136
Blocpdb> 26 atoms in block 8
Block first atom: 157
Blocpdb> 23 atoms in block 9
Block first atom: 183
Blocpdb> 27 atoms in block 10
Block first atom: 206
Blocpdb> 25 atoms in block 11
Block first atom: 233
Blocpdb> 24 atoms in block 12
Block first atom: 258
Blocpdb> 26 atoms in block 13
Block first atom: 282
Blocpdb> 20 atoms in block 14
Block first atom: 308
Blocpdb> 28 atoms in block 15
Block first atom: 328
Blocpdb> 21 atoms in block 16
Block first atom: 356
Blocpdb> 19 atoms in block 17
Block first atom: 377
Blocpdb> 32 atoms in block 18
Block first atom: 396
Blocpdb> 20 atoms in block 19
Block first atom: 428
Blocpdb> 22 atoms in block 20
Block first atom: 448
Blocpdb> 28 atoms in block 21
Block first atom: 470
Blocpdb> 15 atoms in block 22
Block first atom: 498
Blocpdb> 18 atoms in block 23
Block first atom: 513
Blocpdb> 21 atoms in block 24
Block first atom: 531
Blocpdb> 25 atoms in block 25
Block first atom: 552
Blocpdb> 19 atoms in block 26
Block first atom: 577
Blocpdb> 23 atoms in block 27
Block first atom: 596
Blocpdb> 17 atoms in block 28
Block first atom: 619
Blocpdb> 19 atoms in block 29
Block first atom: 636
Blocpdb> 20 atoms in block 30
Block first atom: 655
Blocpdb> 18 atoms in block 31
Block first atom: 675
Blocpdb> 16 atoms in block 32
Block first atom: 693
Blocpdb> 25 atoms in block 33
Block first atom: 709
Blocpdb> 22 atoms in block 34
Block first atom: 734
Blocpdb> 20 atoms in block 35
Block first atom: 756
Blocpdb> 21 atoms in block 36
Block first atom: 776
Blocpdb> 24 atoms in block 37
Block first atom: 797
Blocpdb> 24 atoms in block 38
Block first atom: 821
Blocpdb> 24 atoms in block 39
Block first atom: 845
Blocpdb> 24 atoms in block 40
Block first atom: 869
Blocpdb> 24 atoms in block 41
Block first atom: 893
Blocpdb> 23 atoms in block 42
Block first atom: 917
Blocpdb> 23 atoms in block 43
Block first atom: 940
Blocpdb> 32 atoms in block 44
Block first atom: 963
Blocpdb> 26 atoms in block 45
Block first atom: 995
Blocpdb> 17 atoms in block 46
Block first atom: 1021
Blocpdb> 26 atoms in block 47
Block first atom: 1038
Blocpdb> 25 atoms in block 48
Block first atom: 1064
Blocpdb> 18 atoms in block 49
Block first atom: 1089
Blocpdb> 28 atoms in block 50
Block first atom: 1107
Blocpdb> 26 atoms in block 51
Block first atom: 1135
Blocpdb> 22 atoms in block 52
Block first atom: 1161
Blocpdb> 31 atoms in block 53
Block first atom: 1183
Blocpdb> 19 atoms in block 54
Block first atom: 1214
Blocpdb> 28 atoms in block 55
Block first atom: 1233
Blocpdb> 18 atoms in block 56
Block first atom: 1261
Blocpdb> 25 atoms in block 57
Block first atom: 1279
Blocpdb> 18 atoms in block 58
Block first atom: 1304
Blocpdb> 22 atoms in block 59
Block first atom: 1322
Blocpdb> 20 atoms in block 60
Block first atom: 1344
Blocpdb> 27 atoms in block 61
Block first atom: 1364
Blocpdb> 23 atoms in block 62
Block first atom: 1391
Blocpdb> 21 atoms in block 63
Block first atom: 1414
Blocpdb> 25 atoms in block 64
Block first atom: 1435
Blocpdb> 22 atoms in block 65
Block first atom: 1460
Blocpdb> 26 atoms in block 66
Block first atom: 1482
Blocpdb> 27 atoms in block 67
Block first atom: 1508
Blocpdb> 19 atoms in block 68
Block first atom: 1535
Blocpdb> 20 atoms in block 69
Block first atom: 1554
Blocpdb> 31 atoms in block 70
Block first atom: 1574
Blocpdb> 25 atoms in block 71
Block first atom: 1605
Blocpdb> 23 atoms in block 72
Block first atom: 1630
Blocpdb> 28 atoms in block 73
Block first atom: 1653
Blocpdb> 21 atoms in block 74
Block first atom: 1681
Blocpdb> 20 atoms in block 75
Block first atom: 1702
Blocpdb> 22 atoms in block 76
Block first atom: 1722
Blocpdb> 25 atoms in block 77
Block first atom: 1744
Blocpdb> 30 atoms in block 78
Block first atom: 1769
Blocpdb> 21 atoms in block 79
Block first atom: 1799
Blocpdb> 20 atoms in block 80
Block first atom: 1820
Blocpdb> 30 atoms in block 81
Block first atom: 1840
Blocpdb> 27 atoms in block 82
Block first atom: 1870
Blocpdb> 20 atoms in block 83
Block first atom: 1897
Blocpdb> 25 atoms in block 84
Block first atom: 1917
Blocpdb> 16 atoms in block 85
Block first atom: 1942
Blocpdb> 28 atoms in block 86
Block first atom: 1958
Blocpdb> 26 atoms in block 87
Block first atom: 1986
Blocpdb> 23 atoms in block 88
Block first atom: 2012
Blocpdb> 27 atoms in block 89
Block first atom: 2035
Blocpdb> 29 atoms in block 90
Block first atom: 2062
Blocpdb> 27 atoms in block 91
Block first atom: 2091
Blocpdb> 17 atoms in block 92
Block first atom: 2118
Blocpdb> 24 atoms in block 93
Block first atom: 2135
Blocpdb> 17 atoms in block 94
Block first atom: 2159
Blocpdb> 17 atoms in block 95
Block first atom: 2176
Blocpdb> 24 atoms in block 96
Block first atom: 2193
Blocpdb> 21 atoms in block 97
Block first atom: 2217
Blocpdb> 27 atoms in block 98
Block first atom: 2238
Blocpdb> 23 atoms in block 99
Block first atom: 2265
Blocpdb> 28 atoms in block 100
Block first atom: 2288
Blocpdb> 24 atoms in block 101
Block first atom: 2316
Blocpdb> 22 atoms in block 102
Block first atom: 2340
Blocpdb> 19 atoms in block 103
Block first atom: 2362
Blocpdb> 20 atoms in block 104
Block first atom: 2381
Blocpdb> 25 atoms in block 105
Block first atom: 2401
Blocpdb> 18 atoms in block 106
Block first atom: 2426
Blocpdb> 24 atoms in block 107
Block first atom: 2444
Blocpdb> 21 atoms in block 108
Block first atom: 2468
Blocpdb> 23 atoms in block 109
Block first atom: 2489
Blocpdb> 27 atoms in block 110
Block first atom: 2512
Blocpdb> 27 atoms in block 111
Block first atom: 2539
Blocpdb> 25 atoms in block 112
Block first atom: 2566
Blocpdb> 26 atoms in block 113
Block first atom: 2591
Blocpdb> 19 atoms in block 114
Block first atom: 2617
Blocpdb> 20 atoms in block 115
Block first atom: 2636
Blocpdb> 23 atoms in block 116
Block first atom: 2656
Blocpdb> 21 atoms in block 117
Block first atom: 2679
Blocpdb> 28 atoms in block 118
Block first atom: 2700
Blocpdb> 25 atoms in block 119
Block first atom: 2728
Blocpdb> 30 atoms in block 120
Block first atom: 2753
Blocpdb> 25 atoms in block 121
Block first atom: 2783
Blocpdb> 18 atoms in block 122
Block first atom: 2808
Blocpdb> 26 atoms in block 123
Block first atom: 2826
Blocpdb> 23 atoms in block 124
Block first atom: 2852
Blocpdb> 27 atoms in block 125
Block first atom: 2875
Blocpdb> 25 atoms in block 126
Block first atom: 2902
Blocpdb> 23 atoms in block 127
Block first atom: 2927
Blocpdb> 27 atoms in block 128
Block first atom: 2950
Blocpdb> 25 atoms in block 129
Block first atom: 2977
Blocpdb> 20 atoms in block 130
Block first atom: 3002
Blocpdb> 29 atoms in block 131
Block first atom: 3022
Blocpdb> 25 atoms in block 132
Block first atom: 3051
Blocpdb> 26 atoms in block 133
Block first atom: 3076
Blocpdb> 21 atoms in block 134
Block first atom: 3102
Blocpdb> 24 atoms in block 135
Block first atom: 3123
Blocpdb> 23 atoms in block 136
Block first atom: 3147
Blocpdb> 24 atoms in block 137
Block first atom: 3170
Blocpdb> 28 atoms in block 138
Block first atom: 3194
Blocpdb> 19 atoms in block 139
Block first atom: 3222
Blocpdb> 20 atoms in block 140
Block first atom: 3241
Blocpdb> 24 atoms in block 141
Block first atom: 3261
Blocpdb> 27 atoms in block 142
Block first atom: 3285
Blocpdb> 24 atoms in block 143
Block first atom: 3312
Blocpdb> 18 atoms in block 144
Block first atom: 3336
Blocpdb> 28 atoms in block 145
Block first atom: 3354
Blocpdb> 27 atoms in block 146
Block first atom: 3382
Blocpdb> 25 atoms in block 147
Block first atom: 3409
Blocpdb> 22 atoms in block 148
Block first atom: 3434
Blocpdb> 24 atoms in block 149
Block first atom: 3456
Blocpdb> 23 atoms in block 150
Block first atom: 3480
Blocpdb> 24 atoms in block 151
Block first atom: 3503
Blocpdb> 22 atoms in block 152
Block first atom: 3527
Blocpdb> 23 atoms in block 153
Block first atom: 3549
Blocpdb> 26 atoms in block 154
Block first atom: 3572
Blocpdb> 19 atoms in block 155
Block first atom: 3598
Blocpdb> 23 atoms in block 156
Block first atom: 3617
Blocpdb> 26 atoms in block 157
Block first atom: 3640
Blocpdb> 27 atoms in block 158
Block first atom: 3666
Blocpdb> 29 atoms in block 159
Block first atom: 3693
Blocpdb> 23 atoms in block 160
Block first atom: 3722
Blocpdb> 24 atoms in block 161
Block first atom: 3745
Blocpdb> 23 atoms in block 162
Block first atom: 3769
Blocpdb> 26 atoms in block 163
Block first atom: 3792
Blocpdb> 22 atoms in block 164
Block first atom: 3818
Blocpdb> 17 atoms in block 165
Block first atom: 3840
Blocpdb> 24 atoms in block 166
Block first atom: 3857
Blocpdb> 28 atoms in block 167
Block first atom: 3881
Blocpdb> 28 atoms in block 168
Block first atom: 3909
Blocpdb> 22 atoms in block 169
Block first atom: 3937
Blocpdb> 24 atoms in block 170
Block first atom: 3959
Blocpdb> 24 atoms in block 171
Block first atom: 3983
Blocpdb> 29 atoms in block 172
Block first atom: 4007
Blocpdb> 22 atoms in block 173
Block first atom: 4036
Blocpdb> 21 atoms in block 174
Block first atom: 4058
Blocpdb> 27 atoms in block 175
Block first atom: 4079
Blocpdb> 26 atoms in block 176
Block first atom: 4106
Blocpdb> 24 atoms in block 177
Block first atom: 4132
Blocpdb> 22 atoms in block 178
Block first atom: 4156
Blocpdb> 27 atoms in block 179
Block first atom: 4178
Blocpdb> 24 atoms in block 180
Block first atom: 4205
Blocpdb> 25 atoms in block 181
Block first atom: 4229
Blocpdb> 21 atoms in block 182
Block first atom: 4254
Blocpdb> 29 atoms in block 183
Block first atom: 4275
Blocpdb> 22 atoms in block 184
Block first atom: 4304
Blocpdb> 24 atoms in block 185
Block first atom: 4326
Blocpdb> 13 atoms in block 186
Block first atom: 4350
Blocpdb> 22 atoms in block 187
Block first atom: 4363
Blocpdb> 24 atoms in block 188
Block first atom: 4385
Blocpdb> 25 atoms in block 189
Block first atom: 4409
Blocpdb> 20 atoms in block 190
Block first atom: 4434
Blocpdb> 15 atoms in block 191
Block first atom: 4454
Blocpdb> 19 atoms in block 192
Block first atom: 4469
Blocpdb> 24 atoms in block 193
Block first atom: 4488
Blocpdb> 30 atoms in block 194
Block first atom: 4512
Blocpdb> 27 atoms in block 195
Block first atom: 4542
Blocpdb> 18 atoms in block 196
Block first atom: 4569
Blocpdb> 24 atoms in block 197
Block first atom: 4587
Blocpdb> 19 atoms in block 198
Block first atom: 4611
Blocpdb> 8 atoms in block 199
Block first atom: 4629
Blocpdb> 199 blocks.
Blocpdb> At most, 32 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> 1193962 matrix lines read.
Prepmat> Matrix order = 13911
Prepmat> Matrix trace = 2591480.0000
Prepmat> Last element read: 13911 13911 66.8418
Prepmat> 19901 lines saved.
Prepmat> 18661 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: 4637
RTB> Total mass = 4637.0000
RTB> Number of atoms found in matrix: 4637
RTB> Number of blocks = 199
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 145687.0692
RTB> 41619 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 = 1194
Diagstd> Nb of non-zero elements: 41619
Diagstd> Projected matrix trace = 145687.0692
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1194 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 145687.0692
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 0.0000567 0.0001034 0.0001701 0.0001757
0.0002917 0.0005469 0.0006817 0.0007446 0.0009465
0.0012777 0.0014072 0.0016128 0.0018948 0.0020099
0.0022203 0.0023310 0.0034847 0.0043241 0.0050942
0.0059880 0.0070130 0.0075506 0.0084793 0.0095378
0.0099836 0.0114236 0.0147815 0.0155055 0.0177886
0.0183008 0.0211783 0.0216745 0.0235742 0.0257799
0.0267581 0.0304625 0.0316018 0.0357619 0.0399980
0.0452170 0.0487630 0.0499779 0.0577292 0.0637774
0.0641022 0.0669117 0.0710288 0.0774526 0.0812007
0.0888613 0.0907325 0.0943847 0.1055577 0.1113657
0.1124796 0.1202677 0.1310003 0.1454056 0.1518981
0.1761961 0.1775319 0.1927986 0.1987977 0.2021335
0.2127240 0.2320250 0.2557091 0.2563717 0.2659362
0.2936294 0.2979399 0.3059087 0.3192206 0.3433796
0.3452586 0.3589785 0.3738354 0.3906912 0.4099136
0.4317749 0.4614003 0.4730338 0.5031891 0.5126746
0.5344014 0.5471317 0.5534876 0.5805902 0.5851121
0.6158279 0.6215254 0.6408605 0.6439668 0.6609967
0.6763238 0.7212684 0.7287583 0.7663204 0.7827680
0.8597399
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034338 0.0034339 0.0034339 0.0034340 0.0034340
0.0034340 0.8175706 1.1043810 1.4161780 1.4393287
1.8546215 2.5395936 2.8351993 2.9631349 3.3408046
3.8815308 4.0736235 4.3610071 4.7268634 4.8683896
5.1168394 5.2428910 6.4102750 7.1407745 7.7505945
8.4030669 9.0938274 9.4359787 9.9994108 10.6051932
10.8502075 11.6063982 13.2024672 13.5218968 14.4832624
14.6902832 15.8030537 15.9870972 16.6729885 17.4355745
17.7632640 18.9530024 19.3041591 20.5355168 21.7177335
23.0911853 23.9795196 24.2763931 26.0911356 27.4238758
27.4936087 28.0896415 28.9409421 30.2213187 30.9439058
32.3706634 32.7097181 33.3615420 35.2809544 36.2385583
36.4193508 37.6590881 39.3035231 41.4081487 42.3225127
45.5820012 45.7544621 47.6812042 48.4173469 48.8218680
50.0845166 52.3073435 54.9121398 54.9832405 55.9994771
58.8430297 59.2733657 60.0608126 61.3536922 63.6330188
63.8068823 65.0623086 66.3950146 67.8753485 69.5250736
71.3549310 73.7622618 74.6863693 77.0301729 77.7528257
79.3832887 80.3232384 80.7884420 82.7427867 83.0643753
85.2167503 85.6100423 86.9314696 87.1419006 88.2866244
89.3043529 92.2239507 92.7015583 95.0605831 96.0753132
100.6882586
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4637
Rtb_to_modes> Number of blocs = 199
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: 9.9991E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.6684E-05
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.0343E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.7008E-04
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.7568E-04
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.9169E-04
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.4694E-04
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.8167E-04
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.4458E-04
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.4648E-04
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.2777E-03
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.4072E-03
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.6128E-03
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.8948E-03
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.0099E-03
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.2203E-03
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.3310E-03
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.4847E-03
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.3241E-03
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.0942E-03
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.9880E-03
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.0130E-03
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.5506E-03
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.4793E-03
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 9.5378E-03
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.9836E-03
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.1424E-02
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.4782E-02
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.5505E-02
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.7789E-02
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.8301E-02
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.1178E-02
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.1674E-02
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.3574E-02
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.5780E-02
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.6758E-02
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.0462E-02
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.1602E-02
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.5762E-02
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.9998E-02
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.5217E-02
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 4.8763E-02
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 4.9978E-02
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.7729E-02
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.3777E-02
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.4102E-02
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.6912E-02
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 7.1029E-02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.7453E-02
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 8.1201E-02
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 8.8861E-02
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 9.0733E-02
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 9.4385E-02
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 0.1056
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 0.1114
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 0.1125
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 0.1203
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 0.1310
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 0.1454
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 0.1519
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 0.1762
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 0.1775
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 0.1928
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 0.1988
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 0.2021
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 0.2127
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 0.2320
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 0.2557
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 0.2564
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 0.2659
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 0.2936
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 0.2979
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 0.3059
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 0.3192
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 0.3434
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 0.3453
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 0.3590
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 0.3738
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 0.3907
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 0.4099
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 0.4318
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 0.4614
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 0.4730
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 0.5032
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 0.5127
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 0.5344
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 0.5471
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 0.5535
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 0.5806
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 0.5851
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 0.6158
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 0.6215
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 0.6409
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 0.6440
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 0.6610
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 0.6763
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 0.7213
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 0.7288
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 0.7663
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 0.7828
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 0.8597
Rtb_to_modes> 106 vectors, with 1194 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00004 1.00000 1.00001 1.00000
0.99999 0.99997 1.00000 1.00000 1.00001
1.00001 1.00000 1.00003 1.00001 0.99998
1.00002 0.99997 0.99999 1.00001 0.99998
0.99998 1.00003 0.99995 1.00001 1.00002
0.99999 0.99995 1.00001 0.99999 0.99999
1.00002 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00004 0.99999 1.00004
0.99997 0.99999 0.99998 1.00002 1.00001
1.00000 1.00001 1.00000 0.99998 1.00003
1.00001 0.99999 0.99999 1.00005 0.99995
0.99998 0.99998 1.00002 0.99999 1.00000
1.00001 0.99999 1.00000 1.00000 1.00000
1.00001 1.00001 0.99997 0.99998 1.00001
1.00000 0.99995 0.99998 1.00001 0.99999
1.00002 1.00001 0.99996 0.99999 1.00001
0.99998 0.99998 0.99995 1.00000 1.00001
0.99999 1.00002 1.00000 1.00000 1.00001
0.99999 0.99999 0.99998 0.99998 1.00001
1.00001 1.00003 0.99995 1.00002 0.99998
1.00002 1.00006 0.99998 0.99998 1.00002
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 83466 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00004 1.00000 1.00001 1.00000
0.99999 0.99997 1.00000 1.00000 1.00001
1.00001 1.00000 1.00003 1.00001 0.99998
1.00002 0.99997 0.99999 1.00001 0.99998
0.99998 1.00003 0.99995 1.00001 1.00002
0.99999 0.99995 1.00001 0.99999 0.99999
1.00002 1.00000 1.00000 0.99999 1.00000
1.00000 0.99999 1.00004 0.99999 1.00004
0.99997 0.99999 0.99998 1.00002 1.00001
1.00000 1.00001 1.00000 0.99998 1.00003
1.00001 0.99999 0.99999 1.00005 0.99995
0.99998 0.99998 1.00002 0.99999 1.00000
1.00001 0.99999 1.00000 1.00000 1.00000
1.00001 1.00001 0.99997 0.99998 1.00001
1.00000 0.99995 0.99998 1.00001 0.99999
1.00002 1.00001 0.99996 0.99999 1.00001
0.99998 0.99998 0.99995 1.00000 1.00001
0.99999 1.00002 1.00000 1.00000 1.00001
0.99999 0.99999 0.99998 0.99998 1.00001
1.00001 1.00003 0.99995 1.00002 0.99998
1.00002 1.00006 0.99998 0.99998 1.00002
0.99999
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> 2403052243171750954.eigenfacs
Openam> file on opening on unit 10:
2403052243171750954.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403052243171750954.atom
Openam> file on opening on unit 11:
2403052243171750954.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 = 595
First residue number = 1
Last residue number = 595
Number of atoms found = 4637
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.6684E-05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0343E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7008E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7568E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9169E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.4694E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8167E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.4458E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.4648E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.2777E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4072E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6128E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8948E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0099E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.2203E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3310E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4847E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.3241E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.0942E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9880E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0130E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.5506E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4793E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 9.5378E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9836E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1424E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4782E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5505E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7789E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8301E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1178E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1674E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3574E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5780E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.6758E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0462E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1602E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.5762E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.9998E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5217E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8763E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9978E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7729E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3777E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4102E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6912E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 7.1029E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7453E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1201E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 8.8861E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0733E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.4385E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1114
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2557
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6763
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8597
Bfactors> 106 vectors, 13911 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 : 0.000057
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= -0.307 for 595 C-alpha atoms.
Bfactors> = 192.599 +/- 542.39
Bfactors> = 66.211 +/- 28.74
Bfactors> Shiftng-fct= -126.388
Bfactors> Scaling-fct= 0.053
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403052243171750954 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=0
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=100
2403052243171750954.eigenfacs
2403052243171750954.atom
making animated gifs
11 models are in 2403052243171750954.7.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 2403052243171750954.7.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 2403052243171750954.7.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 2403052243171750954 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=0
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=100
2403052243171750954.eigenfacs
2403052243171750954.atom
making animated gifs
11 models are in 2403052243171750954.8.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 2403052243171750954.8.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 2403052243171750954.8.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 2403052243171750954 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=0
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=100
2403052243171750954.eigenfacs
2403052243171750954.atom
making animated gifs
11 models are in 2403052243171750954.9.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 2403052243171750954.9.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 2403052243171750954.9.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 2403052243171750954 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=0
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=100
2403052243171750954.eigenfacs
2403052243171750954.atom
making animated gifs
11 models are in 2403052243171750954.10.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 2403052243171750954.10.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 2403052243171750954.10.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 2403052243171750954 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=-20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=0
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=20
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=40
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=60
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=80
2403052243171750954.eigenfacs
2403052243171750954.atom
calculating perturbed structure for DQ=100
2403052243171750954.eigenfacs
2403052243171750954.atom
making animated gifs
11 models are in 2403052243171750954.11.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 2403052243171750954.11.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 2403052243171750954.11.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
2403052243171750954.10.pdb
2403052243171750954.11.pdb
2403052243171750954.7.pdb
2403052243171750954.8.pdb
2403052243171750954.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m31.815s
user 0m31.729s
sys 0m0.052s
../../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: 2403052243171750954.Chkmod.res: No such file or directory
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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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