*** PlanNO.2model1-TLR2-model1 ***
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 = 2401150635531121610.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 2401150635531121610.atom to be opened.
Openam> File opened: 2401150635531121610.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 = 930
First residue number = 1
Last residue number = 381
Number of atoms found = 7205
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 17.890973 +/- 18.786237 From: -26.168000 To: 79.073000
= -16.268209 +/- 33.844327 From: -83.877000 To: 51.602000
= -3.887612 +/- 20.771678 From: -63.629000 To: 40.472000
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 0.9941 % Filled.
Pdbmat> 2322301 non-zero elements.
Pdbmat> 253264 atom-atom interactions.
Pdbmat> Number per atom= 70.30 +/- 25.38
Maximum number = 123
Minimum number = 10
Pdbmat> Matrix trace = 5.065280E+06
Pdbmat> Larger element = 474.761
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
930 non-zero elements, NRBL set to 5
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 = 2401150635531121610.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 2401150635531121610.atom to be opened.
Openam> file on opening on unit 11:
2401150635531121610.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7205 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 930 residues.
Blocpdb> 34 atoms in block 1
Block first atom: 1
Blocpdb> 28 atoms in block 2
Block first atom: 35
Blocpdb> 40 atoms in block 3
Block first atom: 63
Blocpdb> 38 atoms in block 4
Block first atom: 103
Blocpdb> 32 atoms in block 5
Block first atom: 141
Blocpdb> 33 atoms in block 6
Block first atom: 173
Blocpdb> 41 atoms in block 7
Block first atom: 206
Blocpdb> 44 atoms in block 8
Block first atom: 247
Blocpdb> 34 atoms in block 9
Block first atom: 291
Blocpdb> 35 atoms in block 10
Block first atom: 325
Blocpdb> 40 atoms in block 11
Block first atom: 360
Blocpdb> 37 atoms in block 12
Block first atom: 400
Blocpdb> 42 atoms in block 13
Block first atom: 437
Blocpdb> 37 atoms in block 14
Block first atom: 479
Blocpdb> 36 atoms in block 15
Block first atom: 516
Blocpdb> 43 atoms in block 16
Block first atom: 552
Blocpdb> 40 atoms in block 17
Block first atom: 595
Blocpdb> 34 atoms in block 18
Block first atom: 635
Blocpdb> 41 atoms in block 19
Block first atom: 669
Blocpdb> 35 atoms in block 20
Block first atom: 710
Blocpdb> 45 atoms in block 21
Block first atom: 745
Blocpdb> 39 atoms in block 22
Block first atom: 790
Blocpdb> 35 atoms in block 23
Block first atom: 829
Blocpdb> 39 atoms in block 24
Block first atom: 864
Blocpdb> 39 atoms in block 25
Block first atom: 903
Blocpdb> 43 atoms in block 26
Block first atom: 942
Blocpdb> 35 atoms in block 27
Block first atom: 985
Blocpdb> 45 atoms in block 28
Block first atom: 1020
Blocpdb> 43 atoms in block 29
Block first atom: 1065
Blocpdb> 33 atoms in block 30
Block first atom: 1108
Blocpdb> 42 atoms in block 31
Block first atom: 1141
Blocpdb> 36 atoms in block 32
Block first atom: 1183
Blocpdb> 46 atoms in block 33
Block first atom: 1219
Blocpdb> 38 atoms in block 34
Block first atom: 1265
Blocpdb> 45 atoms in block 35
Block first atom: 1303
Blocpdb> 43 atoms in block 36
Block first atom: 1348
Blocpdb> 34 atoms in block 37
Block first atom: 1391
Blocpdb> 44 atoms in block 38
Block first atom: 1425
Blocpdb> 40 atoms in block 39
Block first atom: 1469
Blocpdb> 42 atoms in block 40
Block first atom: 1509
Blocpdb> 44 atoms in block 41
Block first atom: 1551
Blocpdb> 39 atoms in block 42
Block first atom: 1595
Blocpdb> 44 atoms in block 43
Block first atom: 1634
Blocpdb> 39 atoms in block 44
Block first atom: 1678
Blocpdb> 34 atoms in block 45
Block first atom: 1717
Blocpdb> 42 atoms in block 46
Block first atom: 1751
Blocpdb> 36 atoms in block 47
Block first atom: 1793
Blocpdb> 41 atoms in block 48
Block first atom: 1829
Blocpdb> 42 atoms in block 49
Block first atom: 1870
Blocpdb> 47 atoms in block 50
Block first atom: 1912
Blocpdb> 40 atoms in block 51
Block first atom: 1959
Blocpdb> 43 atoms in block 52
Block first atom: 1999
Blocpdb> 33 atoms in block 53
Block first atom: 2042
Blocpdb> 39 atoms in block 54
Block first atom: 2075
Blocpdb> 36 atoms in block 55
Block first atom: 2114
Blocpdb> 37 atoms in block 56
Block first atom: 2150
Blocpdb> 36 atoms in block 57
Block first atom: 2187
Blocpdb> 44 atoms in block 58
Block first atom: 2223
Blocpdb> 42 atoms in block 59
Block first atom: 2267
Blocpdb> 54 atoms in block 60
Block first atom: 2309
Blocpdb> 36 atoms in block 61
Block first atom: 2363
Blocpdb> 43 atoms in block 62
Block first atom: 2399
Blocpdb> 44 atoms in block 63
Block first atom: 2442
Blocpdb> 37 atoms in block 64
Block first atom: 2486
Blocpdb> 42 atoms in block 65
Block first atom: 2523
Blocpdb> 36 atoms in block 66
Block first atom: 2565
Blocpdb> 42 atoms in block 67
Block first atom: 2601
Blocpdb> 44 atoms in block 68
Block first atom: 2643
Blocpdb> 39 atoms in block 69
Block first atom: 2687
Blocpdb> 45 atoms in block 70
Block first atom: 2726
Blocpdb> 36 atoms in block 71
Block first atom: 2771
Blocpdb> 38 atoms in block 72
Block first atom: 2807
Blocpdb> 37 atoms in block 73
Block first atom: 2845
Blocpdb> 38 atoms in block 74
Block first atom: 2882
Blocpdb> 43 atoms in block 75
Block first atom: 2920
Blocpdb> 37 atoms in block 76
Block first atom: 2963
Blocpdb> 40 atoms in block 77
Block first atom: 3000
Blocpdb> 40 atoms in block 78
Block first atom: 3040
Blocpdb> 36 atoms in block 79
Block first atom: 3080
Blocpdb> 47 atoms in block 80
Block first atom: 3116
Blocpdb> 36 atoms in block 81
Block first atom: 3163
Blocpdb> 45 atoms in block 82
Block first atom: 3199
Blocpdb> 47 atoms in block 83
Block first atom: 3244
Blocpdb> 35 atoms in block 84
Block first atom: 3291
Blocpdb> 37 atoms in block 85
Block first atom: 3326
Blocpdb> 37 atoms in block 86
Block first atom: 3363
Blocpdb> 40 atoms in block 87
Block first atom: 3400
Blocpdb> 37 atoms in block 88
Block first atom: 3440
Blocpdb> 38 atoms in block 89
Block first atom: 3477
Blocpdb> 44 atoms in block 90
Block first atom: 3515
Blocpdb> 44 atoms in block 91
Block first atom: 3559
Blocpdb> 45 atoms in block 92
Block first atom: 3603
Blocpdb> 41 atoms in block 93
Block first atom: 3648
Blocpdb> 34 atoms in block 94
Block first atom: 3689
Blocpdb> 41 atoms in block 95
Block first atom: 3723
Blocpdb> 40 atoms in block 96
Block first atom: 3764
Blocpdb> 42 atoms in block 97
Block first atom: 3804
Blocpdb> 37 atoms in block 98
Block first atom: 3846
Blocpdb> 42 atoms in block 99
Block first atom: 3883
Blocpdb> 38 atoms in block 100
Block first atom: 3925
Blocpdb> 49 atoms in block 101
Block first atom: 3963
Blocpdb> 44 atoms in block 102
Block first atom: 4012
Blocpdb> 36 atoms in block 103
Block first atom: 4056
Blocpdb> 42 atoms in block 104
Block first atom: 4092
Blocpdb> 50 atoms in block 105
Block first atom: 4134
Blocpdb> 41 atoms in block 106
Block first atom: 4184
Blocpdb> 33 atoms in block 107
Block first atom: 4225
Blocpdb> 26 atoms in block 108
Block first atom: 4258
Blocpdb> 40 atoms in block 109
Block first atom: 4284
Blocpdb> 29 atoms in block 110
Block first atom: 4324
Blocpdb> 36 atoms in block 111
Block first atom: 4353
Blocpdb> 40 atoms in block 112
Block first atom: 4389
Blocpdb> 37 atoms in block 113
Block first atom: 4429
Blocpdb> 27 atoms in block 114
Block first atom: 4466
Blocpdb> 34 atoms in block 115
Block first atom: 4493
Blocpdb> 36 atoms in block 116
Block first atom: 4527
Blocpdb> 39 atoms in block 117
Block first atom: 4563
Blocpdb> 45 atoms in block 118
Block first atom: 4602
Blocpdb> 42 atoms in block 119
Block first atom: 4647
Blocpdb> 42 atoms in block 120
Block first atom: 4689
Blocpdb> 40 atoms in block 121
Block first atom: 4731
Blocpdb> 43 atoms in block 122
Block first atom: 4771
Blocpdb> 41 atoms in block 123
Block first atom: 4814
Blocpdb> 42 atoms in block 124
Block first atom: 4855
Blocpdb> 48 atoms in block 125
Block first atom: 4897
Blocpdb> 38 atoms in block 126
Block first atom: 4945
Blocpdb> 39 atoms in block 127
Block first atom: 4983
Blocpdb> 38 atoms in block 128
Block first atom: 5022
Blocpdb> 41 atoms in block 129
Block first atom: 5060
Blocpdb> 41 atoms in block 130
Block first atom: 5101
Blocpdb> 34 atoms in block 131
Block first atom: 5142
Blocpdb> 47 atoms in block 132
Block first atom: 5176
Blocpdb> 41 atoms in block 133
Block first atom: 5223
Blocpdb> 36 atoms in block 134
Block first atom: 5264
Blocpdb> 37 atoms in block 135
Block first atom: 5300
Blocpdb> 36 atoms in block 136
Block first atom: 5337
Blocpdb> 42 atoms in block 137
Block first atom: 5373
Blocpdb> 31 atoms in block 138
Block first atom: 5415
Blocpdb> 38 atoms in block 139
Block first atom: 5446
Blocpdb> 36 atoms in block 140
Block first atom: 5484
Blocpdb> 34 atoms in block 141
Block first atom: 5520
Blocpdb> 36 atoms in block 142
Block first atom: 5554
Blocpdb> 35 atoms in block 143
Block first atom: 5590
Blocpdb> 33 atoms in block 144
Block first atom: 5625
Blocpdb> 35 atoms in block 145
Block first atom: 5658
Blocpdb> 35 atoms in block 146
Block first atom: 5693
Blocpdb> 33 atoms in block 147
Block first atom: 5728
Blocpdb> 35 atoms in block 148
Block first atom: 5761
Blocpdb> 33 atoms in block 149
Block first atom: 5796
Blocpdb> 41 atoms in block 150
Block first atom: 5829
Blocpdb> 29 atoms in block 151
Block first atom: 5870
Blocpdb> 37 atoms in block 152
Block first atom: 5899
Blocpdb> 43 atoms in block 153
Block first atom: 5936
Blocpdb> 25 atoms in block 154
Block first atom: 5979
Blocpdb> 32 atoms in block 155
Block first atom: 6004
Blocpdb> 37 atoms in block 156
Block first atom: 6036
Blocpdb> 36 atoms in block 157
Block first atom: 6073
Blocpdb> 27 atoms in block 158
Block first atom: 6109
Blocpdb> 37 atoms in block 159
Block first atom: 6136
Blocpdb> 44 atoms in block 160
Block first atom: 6173
Blocpdb> 36 atoms in block 161
Block first atom: 6217
Blocpdb> 41 atoms in block 162
Block first atom: 6253
Blocpdb> 37 atoms in block 163
Block first atom: 6294
Blocpdb> 33 atoms in block 164
Block first atom: 6331
Blocpdb> 30 atoms in block 165
Block first atom: 6364
Blocpdb> 37 atoms in block 166
Block first atom: 6394
Blocpdb> 34 atoms in block 167
Block first atom: 6431
Blocpdb> 37 atoms in block 168
Block first atom: 6465
Blocpdb> 30 atoms in block 169
Block first atom: 6502
Blocpdb> 34 atoms in block 170
Block first atom: 6532
Blocpdb> 46 atoms in block 171
Block first atom: 6566
Blocpdb> 40 atoms in block 172
Block first atom: 6612
Blocpdb> 42 atoms in block 173
Block first atom: 6652
Blocpdb> 37 atoms in block 174
Block first atom: 6694
Blocpdb> 38 atoms in block 175
Block first atom: 6731
Blocpdb> 46 atoms in block 176
Block first atom: 6769
Blocpdb> 34 atoms in block 177
Block first atom: 6815
Blocpdb> 39 atoms in block 178
Block first atom: 6849
Blocpdb> 37 atoms in block 179
Block first atom: 6888
Blocpdb> 50 atoms in block 180
Block first atom: 6925
Blocpdb> 32 atoms in block 181
Block first atom: 6975
Blocpdb> 35 atoms in block 182
Block first atom: 7007
Blocpdb> 44 atoms in block 183
Block first atom: 7042
Blocpdb> 39 atoms in block 184
Block first atom: 7086
Blocpdb> 42 atoms in block 185
Block first atom: 7125
Blocpdb> 34 atoms in block 186
Block first atom: 7167
Blocpdb> 5 atoms in block 187
Block first atom: 7200
Blocpdb> 187 blocks.
Blocpdb> At most, 54 atoms in each of them.
Blocpdb> At least, 5 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> 2322488 matrix lines read.
Prepmat> Matrix order = 21615
Prepmat> Matrix trace = 5065280.0000
Prepmat> Last element read: 21615 21615 75.1435
Prepmat> 17579 lines saved.
Prepmat> 16430 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: 7205
RTB> Total mass = 7205.0000
RTB> Number of atoms found in matrix: 7205
RTB> Number of blocks = 187
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 164532.7469
RTB> 38523 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 = 1122
Diagstd> Nb of non-zero elements: 38523
Diagstd> Projected matrix trace = 164532.7469
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1122 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 164532.7469
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 0.0021155 0.0033217 0.0072237 0.0097284
0.0129951 0.0153108 0.0184112 0.0208507 0.0239635
0.0310084 0.0379124 0.0458948 0.0574982 0.0617215
0.0827879 0.0968603 0.1097268 0.1195004 0.1279801
0.1493606 0.1523094 0.1589760 0.1947521 0.2295764
0.2395088 0.2541110 0.2638006 0.2714236 0.3063803
0.3128267 0.3502381 0.3656498 0.3703717 0.4067829
0.4509667 0.4659455 0.5016568 0.5565506 0.6081224
0.6243146 0.6424965 0.6744665 0.7289877 0.7333707
0.7578052 0.7697392 0.8065220 0.8452583 0.8672643
0.9879646 1.1422935 1.2707117 1.2900270 1.3756248
1.4319822 1.4521407 1.4800290 1.5947900 1.6784170
1.7312953 1.8056893 1.8784437 1.9347024 2.0158317
2.0564049 2.0965004 2.2092176 2.3844486 2.4418509
2.5817732 2.6374333 2.6696085 2.7935628 2.9553145
2.9873117 3.0791318 3.1425155 3.2948890 3.3675133
3.3880017 3.5247764 3.6500477 3.7298748 3.8438832
3.9363834 4.0045391 4.2820140 4.3030650 4.4337396
4.5382746 4.8081662 4.8314947 4.8609197 4.9777431
5.3747111 5.5008852 5.6666024 5.7974151 5.9332017
6.0536475
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034334 0.0034338 0.0034339 0.0034341
0.0034341 4.9946589 6.2585855 9.2294557 10.7106672
12.3789988 13.4367465 14.7345120 15.6803484 16.8100972
19.1220615 21.1439486 23.2635937 26.0388786 26.9782234
31.2448627 33.7962311 35.9709319 37.5387692 38.8477991
41.9675188 42.3797713 43.2973281 47.9221620 52.0306107
53.1442210 54.7402764 55.7741790 56.5742890 60.1070917
60.7361362 64.2653677 65.6640942 66.0867191 69.2590668
72.9234985 74.1246831 76.9128045 81.0116709 84.6819337
85.8019236 87.0423581 89.1816435 92.7161453 92.9944546
94.5309588 95.2723969 97.5221751 99.8366490 101.1279040
107.9359148 116.0604193 122.4105351 123.3373704 127.3635873
129.9463500 130.8578045 132.1083896 137.1345980 140.6841656
142.8830956 145.9206629 148.8313334 151.0436118 154.1780033
155.7218642 157.2326587 161.4040870 167.6830862 169.6894546
174.4834831 176.3542881 177.4267393 181.4991111 186.6797159
187.6875857 190.5502056 192.5014465 197.1131853 199.2736795
199.8789642 203.8736344 207.4648620 209.7212341 212.9023087
215.4487486 217.3059165 224.7084083 225.2600802 228.6548259
231.3346381 238.1140468 238.6909951 239.4167348 242.2766268
251.7519490 254.6898114 258.4976809 261.4643489 264.5086244
267.1799381
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7205
Rtb_to_modes> Number of blocs = 187
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: 9.9900E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.1155E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.3217E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.2237E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.7284E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.2995E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.5311E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.8411E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.0851E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.3963E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.1008E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.7912E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.5895E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.7498E-02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.1721E-02
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.2788E-02
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.6860E-02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.1097
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.1195
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.1280
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.1494
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.1523
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.1590
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.1948
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.2296
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.2395
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.2541
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.2638
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.2714
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 0.3064
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 0.3128
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 0.3502
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 0.3656
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 0.3704
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 0.4068
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 0.4510
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 0.4659
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 0.5017
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 0.5566
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 0.6081
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 0.6243
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 0.6425
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 0.6745
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 0.7290
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 0.7334
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 0.7578
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 0.7697
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 0.8065
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 0.8453
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 0.8673
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 0.9880
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 1.142
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 1.271
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 1.290
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 1.376
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 1.432
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 1.452
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 1.480
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 1.595
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 1.678
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 1.731
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 1.806
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 1.878
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 1.935
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 2.016
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 2.056
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 2.097
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 2.209
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 2.384
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 2.442
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 2.582
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 2.637
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 2.670
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 2.794
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 2.955
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 2.987
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 3.079
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 3.143
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 3.295
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 3.368
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 3.388
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 3.525
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 3.650
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 3.730
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 3.844
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 3.936
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 4.005
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 4.282
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 4.303
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 4.434
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 4.538
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 4.808
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 4.831
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 4.861
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 4.978
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 5.375
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 5.501
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 5.667
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 5.797
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 5.933
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 6.054
Rtb_to_modes> 106 vectors, with 1122 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 0.99998 1.00000 1.00001
1.00000 0.99999 0.99999 1.00002 0.99994
0.99998 0.99999 1.00004 1.00000 1.00001
1.00000 0.99998 1.00003 0.99999 0.99999
1.00000 1.00000 0.99996 1.00003 0.99998
1.00001 1.00003 1.00001 1.00001 0.99999
1.00002 1.00001 0.99999 1.00004 1.00002
1.00003 1.00001 0.99999 0.99997 1.00000
1.00001 1.00000 1.00000 1.00001 0.99999
0.99996 0.99999 1.00000 1.00001 1.00001
0.99999 1.00000 1.00002 0.99999 0.99997
0.99999 0.99997 1.00000 1.00001 1.00000
1.00003 1.00000 1.00001 0.99995 0.99998
1.00002 0.99999 0.99999 1.00002 1.00000
0.99999 1.00000 1.00001 1.00001 0.99998
1.00002 1.00000 1.00003 1.00000 1.00001
0.99999 1.00002 0.99998 1.00001 1.00000
1.00003 0.99998 1.00001 0.99999 0.99999
0.99998 1.00001 0.99999 0.99999 0.99998
1.00000 0.99999 0.99999 1.00001 0.99999
1.00002 0.99998 0.99999 0.99998 0.99998
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 129690 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 0.99998 1.00000 1.00001
1.00000 0.99999 0.99999 1.00002 0.99994
0.99998 0.99999 1.00004 1.00000 1.00001
1.00000 0.99998 1.00003 0.99999 0.99999
1.00000 1.00000 0.99996 1.00003 0.99998
1.00001 1.00003 1.00001 1.00001 0.99999
1.00002 1.00001 0.99999 1.00004 1.00002
1.00003 1.00001 0.99999 0.99997 1.00000
1.00001 1.00000 1.00000 1.00001 0.99999
0.99996 0.99999 1.00000 1.00001 1.00001
0.99999 1.00000 1.00002 0.99999 0.99997
0.99999 0.99997 1.00000 1.00001 1.00000
1.00003 1.00000 1.00001 0.99995 0.99998
1.00002 0.99999 0.99999 1.00002 1.00000
0.99999 1.00000 1.00001 1.00001 0.99998
1.00002 1.00000 1.00003 1.00000 1.00001
0.99999 1.00002 0.99998 1.00001 1.00000
1.00003 0.99998 1.00001 0.99999 0.99999
0.99998 1.00001 0.99999 0.99999 0.99998
1.00000 0.99999 0.99999 1.00001 0.99999
1.00002 0.99998 0.99999 0.99998 0.99998
0.99997
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> 2401150635531121610.eigenfacs
Openam> file on opening on unit 10:
2401150635531121610.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401150635531121610.atom
Openam> file on opening on unit 11:
2401150635531121610.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 = 930
First residue number = 1
Last residue number = 381
Number of atoms found = 7205
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1155E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3217E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2237E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7284E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.2995E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5311E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8411E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0851E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3963E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1008E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7912E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5895E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7498E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1721E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.2788E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6860E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1195
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2714
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 1.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 1.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 1.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1.376
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 1.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 1.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 1.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 1.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 1.806
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 1.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 1.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 2.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 2.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 2.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 2.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 2.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 2.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 2.582
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 2.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 2.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 2.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 2.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 2.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 3.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 3.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 3.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 3.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 3.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 3.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 3.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 3.730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 3.844
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 3.936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 4.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 4.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 4.434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 4.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 4.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 4.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 4.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 4.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 5.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 5.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 5.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.054
Bfactors> 106 vectors, 21615 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 : 0.002116
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> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401150635531121610 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=0
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=100
2401150635531121610.eigenfacs
2401150635531121610.atom
making animated gifs
11 models are in 2401150635531121610.7.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 2401150635531121610.7.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 2401150635531121610.7.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 2401150635531121610 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=0
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=100
2401150635531121610.eigenfacs
2401150635531121610.atom
making animated gifs
11 models are in 2401150635531121610.8.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 2401150635531121610.8.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 2401150635531121610.8.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 2401150635531121610 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=0
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=100
2401150635531121610.eigenfacs
2401150635531121610.atom
making animated gifs
11 models are in 2401150635531121610.9.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 2401150635531121610.9.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 2401150635531121610.9.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 2401150635531121610 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=0
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=100
2401150635531121610.eigenfacs
2401150635531121610.atom
making animated gifs
11 models are in 2401150635531121610.10.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 2401150635531121610.10.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 2401150635531121610.10.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 2401150635531121610 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=-20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=0
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=20
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=40
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=60
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=80
2401150635531121610.eigenfacs
2401150635531121610.atom
calculating perturbed structure for DQ=100
2401150635531121610.eigenfacs
2401150635531121610.atom
making animated gifs
11 models are in 2401150635531121610.11.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 2401150635531121610.11.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 2401150635531121610.11.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
2401150635531121610.10.pdb
2401150635531121610.11.pdb
2401150635531121610.7.pdb
2401150635531121610.8.pdb
2401150635531121610.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m36.138s
user 0m35.979s
sys 0m0.124s
../../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: 2401150635531121610.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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