***  S225L  ***
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 = 2401180033171533642.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 2401180033171533642.atom to be opened.
Openam> File opened: 2401180033171533642.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 6.779529 +/- 28.285437 From: -61.281000 To: 75.688000
= 1.507104 +/- 21.733445 From: -68.250000 To: 53.875000
= -1.400639 +/- 16.250801 From: -42.750000 To: 50.938000
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 0.7893 % Filled.
Pdbmat> 3899525 non-zero elements.
Pdbmat> 427144 atom-atom interactions.
Pdbmat> Number per atom= 81.53 +/- 23.25
Maximum number = 131
Minimum number = 9
Pdbmat> Matrix trace = 8.542880E+06
Pdbmat> Larger element = 516.217
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1350 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 = 2401180033171533642.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 2401180033171533642.atom to be opened.
Openam> file on opening on unit 11:
2401180033171533642.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10478 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> 1350 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 45
Blocpdb> 59 atoms in block 3
Block first atom: 100
Blocpdb> 57 atoms in block 4
Block first atom: 159
Blocpdb> 60 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 276
Blocpdb> 62 atoms in block 7
Block first atom: 330
Blocpdb> 55 atoms in block 8
Block first atom: 392
Blocpdb> 49 atoms in block 9
Block first atom: 447
Blocpdb> 55 atoms in block 10
Block first atom: 496
Blocpdb> 55 atoms in block 11
Block first atom: 551
Blocpdb> 56 atoms in block 12
Block first atom: 606
Blocpdb> 47 atoms in block 13
Block first atom: 662
Blocpdb> 59 atoms in block 14
Block first atom: 709
Blocpdb> 50 atoms in block 15
Block first atom: 768
Blocpdb> 58 atoms in block 16
Block first atom: 818
Blocpdb> 56 atoms in block 17
Block first atom: 876
Blocpdb> 59 atoms in block 18
Block first atom: 932
Blocpdb> 67 atoms in block 19
Block first atom: 991
Blocpdb> 58 atoms in block 20
Block first atom: 1058
Blocpdb> 65 atoms in block 21
Block first atom: 1116
Blocpdb> 64 atoms in block 22
Block first atom: 1181
Blocpdb> 59 atoms in block 23
Block first atom: 1245
Blocpdb> 56 atoms in block 24
Block first atom: 1304
Blocpdb> 59 atoms in block 25
Block first atom: 1360
Blocpdb> 50 atoms in block 26
Block first atom: 1419
Blocpdb> 60 atoms in block 27
Block first atom: 1469
Blocpdb> 58 atoms in block 28
Block first atom: 1529
Blocpdb> 57 atoms in block 29
Block first atom: 1587
Blocpdb> 37 atoms in block 30
Block first atom: 1644
Blocpdb> 56 atoms in block 31
Block first atom: 1681
Blocpdb> 60 atoms in block 32
Block first atom: 1737
Blocpdb> 57 atoms in block 33
Block first atom: 1797
Blocpdb> 62 atoms in block 34
Block first atom: 1854
Blocpdb> 51 atoms in block 35
Block first atom: 1916
Blocpdb> 56 atoms in block 36
Block first atom: 1967
Blocpdb> 54 atoms in block 37
Block first atom: 2023
Blocpdb> 54 atoms in block 38
Block first atom: 2077
Blocpdb> 59 atoms in block 39
Block first atom: 2131
Blocpdb> 59 atoms in block 40
Block first atom: 2190
Blocpdb> 56 atoms in block 41
Block first atom: 2249
Blocpdb> 54 atoms in block 42
Block first atom: 2305
Blocpdb> 52 atoms in block 43
Block first atom: 2359
Blocpdb> 53 atoms in block 44
Block first atom: 2411
Blocpdb> 53 atoms in block 45
Block first atom: 2464
Blocpdb> 52 atoms in block 46
Block first atom: 2517
Blocpdb> 49 atoms in block 47
Block first atom: 2569
Blocpdb> 56 atoms in block 48
Block first atom: 2618
Blocpdb> 37 atoms in block 49
Block first atom: 2674
Blocpdb> 54 atoms in block 50
Block first atom: 2711
Blocpdb> 59 atoms in block 51
Block first atom: 2765
Blocpdb> 51 atoms in block 52
Block first atom: 2824
Blocpdb> 59 atoms in block 53
Block first atom: 2875
Blocpdb> 59 atoms in block 54
Block first atom: 2934
Blocpdb> 65 atoms in block 55
Block first atom: 2993
Blocpdb> 61 atoms in block 56
Block first atom: 3058
Blocpdb> 52 atoms in block 57
Block first atom: 3119
Blocpdb> 46 atoms in block 58
Block first atom: 3171
Blocpdb> 55 atoms in block 59
Block first atom: 3217
Blocpdb> 65 atoms in block 60
Block first atom: 3272
Blocpdb> 51 atoms in block 61
Block first atom: 3337
Blocpdb> 48 atoms in block 62
Block first atom: 3388
Blocpdb> 33 atoms in block 63
Block first atom: 3436
Blocpdb> 57 atoms in block 64
Block first atom: 3469
Blocpdb> 60 atoms in block 65
Block first atom: 3526
Blocpdb> 50 atoms in block 66
Block first atom: 3586
Blocpdb> 49 atoms in block 67
Block first atom: 3636
Blocpdb> 52 atoms in block 68
Block first atom: 3685
Blocpdb> 58 atoms in block 69
Block first atom: 3737
Blocpdb> 49 atoms in block 70
Block first atom: 3795
Blocpdb> 59 atoms in block 71
Block first atom: 3844
Blocpdb> 61 atoms in block 72
Block first atom: 3903
Blocpdb> 53 atoms in block 73
Block first atom: 3964
Blocpdb> 50 atoms in block 74
Block first atom: 4017
Blocpdb> 47 atoms in block 75
Block first atom: 4067
Blocpdb> 39 atoms in block 76
Block first atom: 4114
Blocpdb> 45 atoms in block 77
Block first atom: 4153
Blocpdb> 51 atoms in block 78
Block first atom: 4198
Blocpdb> 56 atoms in block 79
Block first atom: 4249
Blocpdb> 50 atoms in block 80
Block first atom: 4305
Blocpdb> 55 atoms in block 81
Block first atom: 4355
Blocpdb> 58 atoms in block 82
Block first atom: 4410
Blocpdb> 56 atoms in block 83
Block first atom: 4468
Blocpdb> 54 atoms in block 84
Block first atom: 4524
Blocpdb> 50 atoms in block 85
Block first atom: 4578
Blocpdb> 59 atoms in block 86
Block first atom: 4628
Blocpdb> 73 atoms in block 87
Block first atom: 4687
Blocpdb> 50 atoms in block 88
Block first atom: 4760
Blocpdb> 48 atoms in block 89
Block first atom: 4810
Blocpdb> 57 atoms in block 90
Block first atom: 4858
Blocpdb> 52 atoms in block 91
Block first atom: 4915
Blocpdb> 49 atoms in block 92
Block first atom: 4967
Blocpdb> 49 atoms in block 93
Block first atom: 5016
Blocpdb> 60 atoms in block 94
Block first atom: 5065
Blocpdb> 55 atoms in block 95
Block first atom: 5125
Blocpdb> 45 atoms in block 96
Block first atom: 5180
Blocpdb> 15 atoms in block 97
Block first atom: 5225
Blocpdb> 44 atoms in block 98
Block first atom: 5240
Blocpdb> 55 atoms in block 99
Block first atom: 5284
Blocpdb> 59 atoms in block 100
Block first atom: 5339
Blocpdb> 57 atoms in block 101
Block first atom: 5398
Blocpdb> 60 atoms in block 102
Block first atom: 5455
Blocpdb> 54 atoms in block 103
Block first atom: 5515
Blocpdb> 62 atoms in block 104
Block first atom: 5569
Blocpdb> 55 atoms in block 105
Block first atom: 5631
Blocpdb> 49 atoms in block 106
Block first atom: 5686
Blocpdb> 55 atoms in block 107
Block first atom: 5735
Blocpdb> 55 atoms in block 108
Block first atom: 5790
Blocpdb> 56 atoms in block 109
Block first atom: 5845
Blocpdb> 47 atoms in block 110
Block first atom: 5901
Blocpdb> 59 atoms in block 111
Block first atom: 5948
Blocpdb> 50 atoms in block 112
Block first atom: 6007
Blocpdb> 58 atoms in block 113
Block first atom: 6057
Blocpdb> 56 atoms in block 114
Block first atom: 6115
Blocpdb> 59 atoms in block 115
Block first atom: 6171
Blocpdb> 67 atoms in block 116
Block first atom: 6230
Blocpdb> 58 atoms in block 117
Block first atom: 6297
Blocpdb> 65 atoms in block 118
Block first atom: 6355
Blocpdb> 64 atoms in block 119
Block first atom: 6420
Blocpdb> 59 atoms in block 120
Block first atom: 6484
Blocpdb> 56 atoms in block 121
Block first atom: 6543
Blocpdb> 59 atoms in block 122
Block first atom: 6599
Blocpdb> 50 atoms in block 123
Block first atom: 6658
Blocpdb> 60 atoms in block 124
Block first atom: 6708
Blocpdb> 58 atoms in block 125
Block first atom: 6768
Blocpdb> 57 atoms in block 126
Block first atom: 6826
Blocpdb> 37 atoms in block 127
Block first atom: 6883
Blocpdb> 56 atoms in block 128
Block first atom: 6920
Blocpdb> 60 atoms in block 129
Block first atom: 6976
Blocpdb> 57 atoms in block 130
Block first atom: 7036
Blocpdb> 62 atoms in block 131
Block first atom: 7093
Blocpdb> 51 atoms in block 132
Block first atom: 7155
Blocpdb> 56 atoms in block 133
Block first atom: 7206
Blocpdb> 54 atoms in block 134
Block first atom: 7262
Blocpdb> 54 atoms in block 135
Block first atom: 7316
Blocpdb> 59 atoms in block 136
Block first atom: 7370
Blocpdb> 59 atoms in block 137
Block first atom: 7429
Blocpdb> 56 atoms in block 138
Block first atom: 7488
Blocpdb> 54 atoms in block 139
Block first atom: 7544
Blocpdb> 52 atoms in block 140
Block first atom: 7598
Blocpdb> 53 atoms in block 141
Block first atom: 7650
Blocpdb> 53 atoms in block 142
Block first atom: 7703
Blocpdb> 52 atoms in block 143
Block first atom: 7756
Blocpdb> 49 atoms in block 144
Block first atom: 7808
Blocpdb> 56 atoms in block 145
Block first atom: 7857
Blocpdb> 37 atoms in block 146
Block first atom: 7913
Blocpdb> 54 atoms in block 147
Block first atom: 7950
Blocpdb> 59 atoms in block 148
Block first atom: 8004
Blocpdb> 51 atoms in block 149
Block first atom: 8063
Blocpdb> 59 atoms in block 150
Block first atom: 8114
Blocpdb> 59 atoms in block 151
Block first atom: 8173
Blocpdb> 65 atoms in block 152
Block first atom: 8232
Blocpdb> 61 atoms in block 153
Block first atom: 8297
Blocpdb> 52 atoms in block 154
Block first atom: 8358
Blocpdb> 46 atoms in block 155
Block first atom: 8410
Blocpdb> 55 atoms in block 156
Block first atom: 8456
Blocpdb> 65 atoms in block 157
Block first atom: 8511
Blocpdb> 51 atoms in block 158
Block first atom: 8576
Blocpdb> 48 atoms in block 159
Block first atom: 8627
Blocpdb> 33 atoms in block 160
Block first atom: 8675
Blocpdb> 57 atoms in block 161
Block first atom: 8708
Blocpdb> 60 atoms in block 162
Block first atom: 8765
Blocpdb> 50 atoms in block 163
Block first atom: 8825
Blocpdb> 49 atoms in block 164
Block first atom: 8875
Blocpdb> 52 atoms in block 165
Block first atom: 8924
Blocpdb> 58 atoms in block 166
Block first atom: 8976
Blocpdb> 49 atoms in block 167
Block first atom: 9034
Blocpdb> 59 atoms in block 168
Block first atom: 9083
Blocpdb> 61 atoms in block 169
Block first atom: 9142
Blocpdb> 53 atoms in block 170
Block first atom: 9203
Blocpdb> 50 atoms in block 171
Block first atom: 9256
Blocpdb> 47 atoms in block 172
Block first atom: 9306
Blocpdb> 39 atoms in block 173
Block first atom: 9353
Blocpdb> 45 atoms in block 174
Block first atom: 9392
Blocpdb> 51 atoms in block 175
Block first atom: 9437
Blocpdb> 56 atoms in block 176
Block first atom: 9488
Blocpdb> 50 atoms in block 177
Block first atom: 9544
Blocpdb> 55 atoms in block 178
Block first atom: 9594
Blocpdb> 58 atoms in block 179
Block first atom: 9649
Blocpdb> 56 atoms in block 180
Block first atom: 9707
Blocpdb> 54 atoms in block 181
Block first atom: 9763
Blocpdb> 50 atoms in block 182
Block first atom: 9817
Blocpdb> 59 atoms in block 183
Block first atom: 9867
Blocpdb> 73 atoms in block 184
Block first atom: 9926
Blocpdb> 50 atoms in block 185
Block first atom: 9999
Blocpdb> 48 atoms in block 186
Block first atom: 10049
Blocpdb> 57 atoms in block 187
Block first atom: 10097
Blocpdb> 52 atoms in block 188
Block first atom: 10154
Blocpdb> 49 atoms in block 189
Block first atom: 10206
Blocpdb> 49 atoms in block 190
Block first atom: 10255
Blocpdb> 60 atoms in block 191
Block first atom: 10304
Blocpdb> 55 atoms in block 192
Block first atom: 10364
Blocpdb> 45 atoms in block 193
Block first atom: 10419
Blocpdb> 15 atoms in block 194
Block first atom: 10463
Blocpdb> 194 blocks.
Blocpdb> At most, 73 atoms in each of them.
Blocpdb> At least, 15 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> 3899719 matrix lines read.
Prepmat> Matrix order = 31434
Prepmat> Matrix trace = 8542880.0000
Prepmat> Last element read: 31434 31434 22.1080
Prepmat> 18916 lines saved.
Prepmat> 17441 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: 10478
RTB> Total mass = 10478.0000
RTB> Number of atoms found in matrix: 10478
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 193549.8707
RTB> 50132 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 = 1164
Diagstd> Nb of non-zero elements: 50132
Diagstd> Projected matrix trace = 193549.8707
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1164 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 193549.8707
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 0.0274485 0.0300216 0.0446900 0.0622829
0.0690595 0.1295116 0.2643488 0.3275945 0.4249730
0.4615003 0.5738715 0.6034426 0.8269016 0.9595439
1.1741048 1.1879575 1.2870278 1.5123494 1.5950301
1.6921332 2.0342216 2.1406288 2.2460914 2.3909018
2.6385828 2.9826647 3.1513210 3.4086317 4.2731324
4.7570049 4.7686572 5.6949438 6.0701114 6.4364717
6.7247689 6.9754241 7.3335087 7.9072553 7.9661133
8.4565273 8.9645727 9.0436108 9.1078290 9.4047808
9.5173880 10.0586692 10.1182434 10.4063759 11.0149516
11.5453279 11.7527032 11.9214427 11.9958905 12.6139287
12.6815894 13.0671562 13.1801361 13.2784567 13.7812925
13.9393763 14.3442587 14.8440030 15.1561410 15.6236542
16.0250722 16.2483270 16.4143898 16.4519547 17.1134439
17.1614274 17.6528037 17.9181991 17.9496524 18.4025478
18.9098957 19.4812178 19.7069877 19.7600147 19.8778402
20.3198375 20.5557410 20.7161601 21.1087511 21.1232406
22.1056314 22.6700194 22.7481268 23.0024676 23.0765781
23.1981276 23.5083248 23.7886142 24.7181730 24.8678337
24.9862793 25.3005234 25.5434618 25.7091641 26.4762107
27.0201748
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034325 0.0034329 0.0034334 0.0034340
0.0034345 17.9909701 18.8153357 22.9562128 27.1006557
28.5369036 39.0795581 55.8320948 62.1532166 70.7906560
73.7702557 82.2626314 84.3554694 98.7466120 106.3720937
117.6653814 118.3574851 123.1939120 133.5430688 137.1449175
141.2578383 154.8796687 158.8788050 162.7454999 167.9098415
176.3927161 187.5415475 192.7709550 200.4865866 224.4752459
236.8438333 237.1337295 259.1433108 267.5430122 275.4984824
281.6008502 286.8009529 294.0703143 305.3571975 306.4915599
315.7848621 325.1322714 326.5624241 327.7198258 333.0194647
335.0072204 344.4019039 345.4202884 350.3039502 360.4014889
368.9762527 372.2752502 374.9381987 376.1070962 385.6740917
386.7070805 392.5417211 394.2350446 395.7027618 403.1254861
405.4309988 411.2769170 418.3798858 422.7558233 429.2265618
434.7056422 437.7232405 439.9543855 440.4575243 449.2250734
449.8544119 456.2492104 459.6660819 460.0693506 465.8372979
472.2150746 479.2954776 482.0647805 482.7129078 484.1499346
489.5030423 492.3362895 494.2536775 498.9149871 499.0861899
510.5599475 517.0365270 517.9264614 520.8138127 521.6521305
523.0241554 526.5093911 529.6388717 539.8877378 541.5196959
542.8077951 546.2104861 548.8266068 550.6038682 558.7572803
564.4680400
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10478
Rtb_to_modes> Number of blocs = 194
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: 9.9874E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9916E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.7448E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.0022E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.4690E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.2283E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.9059E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1295
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2643
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3276
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4250
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4615
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5739
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6034
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8269
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9595
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.174
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.188
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.287
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.512
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.595
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.692
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.034
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.141
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.246
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.391
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.639
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.983
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.151
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.409
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.273
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.757
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.769
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.695
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.070
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.436
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.725
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.975
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.334
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.907
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.966
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.457
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.965
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.044
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 9.108
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.405
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.517
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 10.06
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 10.41
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 11.01
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.55
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 11.75
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.61
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.68
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.18
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.34
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.62
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 16.03
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 16.41
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 16.45
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 17.11
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 17.16
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.65
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 17.95
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 18.40
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 18.91
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 19.48
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 19.71
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 19.76
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 19.88
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.32
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.56
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 20.72
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 21.11
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 21.12
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 22.11
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 22.75
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 23.00
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 23.08
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 23.20
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 23.51
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 23.79
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 24.72
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 24.87
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 25.54
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 25.71
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 26.48
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 27.02
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 1.00001 0.99999
1.00000 0.99996 0.99999 1.00000 0.99998
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 0.99998 0.99998 0.99994
1.00000 1.00003 0.99999 0.99999 0.99999
0.99999 1.00000 1.00004 1.00002 1.00001
1.00001 0.99996 1.00000 1.00000 0.99999
1.00000 1.00003 0.99999 1.00002 0.99997
1.00002 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00000 0.99999 0.99998
1.00005 1.00000 0.99998 0.99996 1.00004
0.99997 0.99999 0.99999 0.99999 1.00002
0.99998 0.99999 1.00001 1.00002 1.00001
1.00000 0.99998 1.00001 1.00001 1.00001
1.00000 1.00000 1.00001 0.99998 1.00003
0.99999 1.00000 0.99998 1.00001 0.99999
1.00000 1.00001 1.00000 1.00003 0.99997
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 1.00001 1.00003 0.99998 0.99999
0.99999 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188604 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 1.00001 0.99999
1.00000 0.99996 0.99999 1.00000 0.99998
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 0.99998 0.99998 0.99994
1.00000 1.00003 0.99999 0.99999 0.99999
0.99999 1.00000 1.00004 1.00002 1.00001
1.00001 0.99996 1.00000 1.00000 0.99999
1.00000 1.00003 0.99999 1.00002 0.99997
1.00002 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00000 0.99999 0.99998
1.00005 1.00000 0.99998 0.99996 1.00004
0.99997 0.99999 0.99999 0.99999 1.00002
0.99998 0.99999 1.00001 1.00002 1.00001
1.00000 0.99998 1.00001 1.00001 1.00001
1.00000 1.00000 1.00001 0.99998 1.00003
0.99999 1.00000 0.99998 1.00001 0.99999
1.00000 1.00001 1.00000 1.00003 0.99997
1.00000 0.99999 0.99999 1.00001 1.00001
1.00001 1.00001 1.00003 0.99998 0.99999
0.99999 0.99999 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 1.00000 0.99999
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> 2401180033171533642.eigenfacs
Openam> file on opening on unit 10:
2401180033171533642.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401180033171533642.atom
Openam> file on opening on unit 11:
2401180033171533642.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 = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
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: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7448E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.0022E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.4690E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.2283E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9059E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 16.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 16.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 16.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 17.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 17.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 18.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 18.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 19.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 19.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 19.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 20.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 21.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 21.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 22.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 22.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 23.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 23.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 23.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 23.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 23.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 24.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 24.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 25.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 25.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 26.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 27.02
Bfactors> 106 vectors, 31434 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 : 0.027448
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= -0.312 for 1350 C-alpha atoms.
Bfactors> = 0.294 +/- 2.47
Bfactors> = 77.650 +/- 15.57
Bfactors> Shiftng-fct= 77.356
Bfactors> Scaling-fct= 6.294
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401180033171533642 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=0
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=100
2401180033171533642.eigenfacs
2401180033171533642.atom
making animated gifs
11 models are in 2401180033171533642.7.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 2401180033171533642.7.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 2401180033171533642.7.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 2401180033171533642 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=0
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=100
2401180033171533642.eigenfacs
2401180033171533642.atom
making animated gifs
11 models are in 2401180033171533642.8.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 2401180033171533642.8.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 2401180033171533642.8.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 2401180033171533642 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=0
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=100
2401180033171533642.eigenfacs
2401180033171533642.atom
making animated gifs
11 models are in 2401180033171533642.9.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 2401180033171533642.9.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 2401180033171533642.9.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 2401180033171533642 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=0
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=100
2401180033171533642.eigenfacs
2401180033171533642.atom
making animated gifs
11 models are in 2401180033171533642.10.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 2401180033171533642.10.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 2401180033171533642.10.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 2401180033171533642 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=-20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=0
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=20
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=40
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=60
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=80
2401180033171533642.eigenfacs
2401180033171533642.atom
calculating perturbed structure for DQ=100
2401180033171533642.eigenfacs
2401180033171533642.atom
making animated gifs
11 models are in 2401180033171533642.11.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 2401180033171533642.11.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 2401180033171533642.11.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
2401180033171533642.10.pdb
2401180033171533642.11.pdb
2401180033171533642.7.pdb
2401180033171533642.8.pdb
2401180033171533642.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m56.469s
user 0m56.258s
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: 2401180033171533642.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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