***    ***
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 = 240111144458747373.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 240111144458747373.atom to be opened.
Openam> File opened: 240111144458747373.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 = 10480
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 6.835095 +/- 27.527944 From: -64.312000 To: 75.375000
= 1.969939 +/- 22.035059 From: -68.750000 To: 55.438000
= -1.916249 +/- 17.152982 From: -41.062000 To: 52.250000
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 0.7880 % Filled.
Pdbmat> 3894643 non-zero elements.
Pdbmat> 426669 atom-atom interactions.
Pdbmat> Number per atom= 81.43 +/- 23.20
Maximum number = 130
Minimum number = 9
Pdbmat> Matrix trace = 8.533380E+06
Pdbmat> Larger element = 520.105
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 = 240111144458747373.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 240111144458747373.atom to be opened.
Openam> file on opening on unit 11:
240111144458747373.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10480 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> 55 atoms in block 33
Block first atom: 1797
Blocpdb> 62 atoms in block 34
Block first atom: 1852
Blocpdb> 51 atoms in block 35
Block first atom: 1914
Blocpdb> 56 atoms in block 36
Block first atom: 1965
Blocpdb> 54 atoms in block 37
Block first atom: 2021
Blocpdb> 54 atoms in block 38
Block first atom: 2075
Blocpdb> 59 atoms in block 39
Block first atom: 2129
Blocpdb> 59 atoms in block 40
Block first atom: 2188
Blocpdb> 56 atoms in block 41
Block first atom: 2247
Blocpdb> 54 atoms in block 42
Block first atom: 2303
Blocpdb> 52 atoms in block 43
Block first atom: 2357
Blocpdb> 53 atoms in block 44
Block first atom: 2409
Blocpdb> 53 atoms in block 45
Block first atom: 2462
Blocpdb> 52 atoms in block 46
Block first atom: 2515
Blocpdb> 49 atoms in block 47
Block first atom: 2567
Blocpdb> 56 atoms in block 48
Block first atom: 2616
Blocpdb> 37 atoms in block 49
Block first atom: 2672
Blocpdb> 54 atoms in block 50
Block first atom: 2709
Blocpdb> 59 atoms in block 51
Block first atom: 2763
Blocpdb> 51 atoms in block 52
Block first atom: 2822
Blocpdb> 59 atoms in block 53
Block first atom: 2873
Blocpdb> 59 atoms in block 54
Block first atom: 2932
Blocpdb> 65 atoms in block 55
Block first atom: 2991
Blocpdb> 61 atoms in block 56
Block first atom: 3056
Blocpdb> 52 atoms in block 57
Block first atom: 3117
Blocpdb> 46 atoms in block 58
Block first atom: 3169
Blocpdb> 55 atoms in block 59
Block first atom: 3215
Blocpdb> 65 atoms in block 60
Block first atom: 3270
Blocpdb> 51 atoms in block 61
Block first atom: 3335
Blocpdb> 48 atoms in block 62
Block first atom: 3386
Blocpdb> 33 atoms in block 63
Block first atom: 3434
Blocpdb> 57 atoms in block 64
Block first atom: 3467
Blocpdb> 60 atoms in block 65
Block first atom: 3524
Blocpdb> 50 atoms in block 66
Block first atom: 3584
Blocpdb> 49 atoms in block 67
Block first atom: 3634
Blocpdb> 52 atoms in block 68
Block first atom: 3683
Blocpdb> 58 atoms in block 69
Block first atom: 3735
Blocpdb> 49 atoms in block 70
Block first atom: 3793
Blocpdb> 59 atoms in block 71
Block first atom: 3842
Blocpdb> 61 atoms in block 72
Block first atom: 3901
Blocpdb> 53 atoms in block 73
Block first atom: 3962
Blocpdb> 50 atoms in block 74
Block first atom: 4015
Blocpdb> 47 atoms in block 75
Block first atom: 4065
Blocpdb> 39 atoms in block 76
Block first atom: 4112
Blocpdb> 45 atoms in block 77
Block first atom: 4151
Blocpdb> 54 atoms in block 78
Block first atom: 4196
Blocpdb> 56 atoms in block 79
Block first atom: 4250
Blocpdb> 50 atoms in block 80
Block first atom: 4306
Blocpdb> 55 atoms in block 81
Block first atom: 4356
Blocpdb> 58 atoms in block 82
Block first atom: 4411
Blocpdb> 56 atoms in block 83
Block first atom: 4469
Blocpdb> 54 atoms in block 84
Block first atom: 4525
Blocpdb> 50 atoms in block 85
Block first atom: 4579
Blocpdb> 59 atoms in block 86
Block first atom: 4629
Blocpdb> 73 atoms in block 87
Block first atom: 4688
Blocpdb> 50 atoms in block 88
Block first atom: 4761
Blocpdb> 48 atoms in block 89
Block first atom: 4811
Blocpdb> 57 atoms in block 90
Block first atom: 4859
Blocpdb> 52 atoms in block 91
Block first atom: 4916
Blocpdb> 49 atoms in block 92
Block first atom: 4968
Blocpdb> 49 atoms in block 93
Block first atom: 5017
Blocpdb> 60 atoms in block 94
Block first atom: 5066
Blocpdb> 55 atoms in block 95
Block first atom: 5126
Blocpdb> 45 atoms in block 96
Block first atom: 5181
Blocpdb> 15 atoms in block 97
Block first atom: 5226
Blocpdb> 44 atoms in block 98
Block first atom: 5241
Blocpdb> 55 atoms in block 99
Block first atom: 5285
Blocpdb> 59 atoms in block 100
Block first atom: 5340
Blocpdb> 57 atoms in block 101
Block first atom: 5399
Blocpdb> 60 atoms in block 102
Block first atom: 5456
Blocpdb> 54 atoms in block 103
Block first atom: 5516
Blocpdb> 62 atoms in block 104
Block first atom: 5570
Blocpdb> 55 atoms in block 105
Block first atom: 5632
Blocpdb> 49 atoms in block 106
Block first atom: 5687
Blocpdb> 55 atoms in block 107
Block first atom: 5736
Blocpdb> 55 atoms in block 108
Block first atom: 5791
Blocpdb> 56 atoms in block 109
Block first atom: 5846
Blocpdb> 47 atoms in block 110
Block first atom: 5902
Blocpdb> 59 atoms in block 111
Block first atom: 5949
Blocpdb> 50 atoms in block 112
Block first atom: 6008
Blocpdb> 58 atoms in block 113
Block first atom: 6058
Blocpdb> 56 atoms in block 114
Block first atom: 6116
Blocpdb> 59 atoms in block 115
Block first atom: 6172
Blocpdb> 67 atoms in block 116
Block first atom: 6231
Blocpdb> 58 atoms in block 117
Block first atom: 6298
Blocpdb> 65 atoms in block 118
Block first atom: 6356
Blocpdb> 64 atoms in block 119
Block first atom: 6421
Blocpdb> 59 atoms in block 120
Block first atom: 6485
Blocpdb> 56 atoms in block 121
Block first atom: 6544
Blocpdb> 59 atoms in block 122
Block first atom: 6600
Blocpdb> 50 atoms in block 123
Block first atom: 6659
Blocpdb> 60 atoms in block 124
Block first atom: 6709
Blocpdb> 58 atoms in block 125
Block first atom: 6769
Blocpdb> 57 atoms in block 126
Block first atom: 6827
Blocpdb> 37 atoms in block 127
Block first atom: 6884
Blocpdb> 56 atoms in block 128
Block first atom: 6921
Blocpdb> 60 atoms in block 129
Block first atom: 6977
Blocpdb> 55 atoms in block 130
Block first atom: 7037
Blocpdb> 62 atoms in block 131
Block first atom: 7092
Blocpdb> 51 atoms in block 132
Block first atom: 7154
Blocpdb> 56 atoms in block 133
Block first atom: 7205
Blocpdb> 54 atoms in block 134
Block first atom: 7261
Blocpdb> 54 atoms in block 135
Block first atom: 7315
Blocpdb> 59 atoms in block 136
Block first atom: 7369
Blocpdb> 59 atoms in block 137
Block first atom: 7428
Blocpdb> 56 atoms in block 138
Block first atom: 7487
Blocpdb> 54 atoms in block 139
Block first atom: 7543
Blocpdb> 52 atoms in block 140
Block first atom: 7597
Blocpdb> 53 atoms in block 141
Block first atom: 7649
Blocpdb> 53 atoms in block 142
Block first atom: 7702
Blocpdb> 52 atoms in block 143
Block first atom: 7755
Blocpdb> 49 atoms in block 144
Block first atom: 7807
Blocpdb> 56 atoms in block 145
Block first atom: 7856
Blocpdb> 37 atoms in block 146
Block first atom: 7912
Blocpdb> 54 atoms in block 147
Block first atom: 7949
Blocpdb> 59 atoms in block 148
Block first atom: 8003
Blocpdb> 51 atoms in block 149
Block first atom: 8062
Blocpdb> 59 atoms in block 150
Block first atom: 8113
Blocpdb> 59 atoms in block 151
Block first atom: 8172
Blocpdb> 65 atoms in block 152
Block first atom: 8231
Blocpdb> 61 atoms in block 153
Block first atom: 8296
Blocpdb> 52 atoms in block 154
Block first atom: 8357
Blocpdb> 46 atoms in block 155
Block first atom: 8409
Blocpdb> 55 atoms in block 156
Block first atom: 8455
Blocpdb> 65 atoms in block 157
Block first atom: 8510
Blocpdb> 51 atoms in block 158
Block first atom: 8575
Blocpdb> 48 atoms in block 159
Block first atom: 8626
Blocpdb> 33 atoms in block 160
Block first atom: 8674
Blocpdb> 57 atoms in block 161
Block first atom: 8707
Blocpdb> 60 atoms in block 162
Block first atom: 8764
Blocpdb> 50 atoms in block 163
Block first atom: 8824
Blocpdb> 49 atoms in block 164
Block first atom: 8874
Blocpdb> 52 atoms in block 165
Block first atom: 8923
Blocpdb> 58 atoms in block 166
Block first atom: 8975
Blocpdb> 49 atoms in block 167
Block first atom: 9033
Blocpdb> 59 atoms in block 168
Block first atom: 9082
Blocpdb> 61 atoms in block 169
Block first atom: 9141
Blocpdb> 53 atoms in block 170
Block first atom: 9202
Blocpdb> 50 atoms in block 171
Block first atom: 9255
Blocpdb> 47 atoms in block 172
Block first atom: 9305
Blocpdb> 39 atoms in block 173
Block first atom: 9352
Blocpdb> 45 atoms in block 174
Block first atom: 9391
Blocpdb> 54 atoms in block 175
Block first atom: 9436
Blocpdb> 56 atoms in block 176
Block first atom: 9490
Blocpdb> 50 atoms in block 177
Block first atom: 9546
Blocpdb> 55 atoms in block 178
Block first atom: 9596
Blocpdb> 58 atoms in block 179
Block first atom: 9651
Blocpdb> 56 atoms in block 180
Block first atom: 9709
Blocpdb> 54 atoms in block 181
Block first atom: 9765
Blocpdb> 50 atoms in block 182
Block first atom: 9819
Blocpdb> 59 atoms in block 183
Block first atom: 9869
Blocpdb> 73 atoms in block 184
Block first atom: 9928
Blocpdb> 50 atoms in block 185
Block first atom: 10001
Blocpdb> 48 atoms in block 186
Block first atom: 10051
Blocpdb> 57 atoms in block 187
Block first atom: 10099
Blocpdb> 52 atoms in block 188
Block first atom: 10156
Blocpdb> 49 atoms in block 189
Block first atom: 10208
Blocpdb> 49 atoms in block 190
Block first atom: 10257
Blocpdb> 60 atoms in block 191
Block first atom: 10306
Blocpdb> 55 atoms in block 192
Block first atom: 10366
Blocpdb> 45 atoms in block 193
Block first atom: 10421
Blocpdb> 15 atoms in block 194
Block first atom: 10465
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> 3894837 matrix lines read.
Prepmat> Matrix order = 31440
Prepmat> Matrix trace = 8533380.0000
Prepmat> Last element read: 31440 31440 22.7668
Prepmat> 18916 lines saved.
Prepmat> 17449 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: 10480
RTB> Total mass = 10480.0000
RTB> Number of atoms found in matrix: 10480
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 193286.9093
RTB> 49855 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: 49855
Diagstd> Projected matrix trace = 193286.9093
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 = 193286.9093
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 0.0264332 0.0310898 0.0681320 0.0778663
0.0997567 0.1391399 0.2907566 0.3404998 0.4238035
0.5049049 0.5850029 0.6869735 0.8710979 0.9786237
1.1677144 1.1834501 1.2571860 1.5297003 1.6194850
1.6909310 2.0727547 2.1902536 2.3656051 2.5675164
2.8036220 3.0372356 3.1719343 3.4697353 4.3121463
4.7989110 4.8626080 5.6891117 6.0602813 6.3456413
6.7377653 7.0719294 7.2970249 7.8205278 7.8914630
8.4792974 8.9025611 9.1215238 9.2430380 9.3348594
9.5258388 10.0022714 10.0700723 10.4585675 10.7286992
11.0850080 11.4728385 11.9169417 12.0426593 12.4591752
12.5576699 13.0943129 13.1638765 13.2846500 13.5146307
13.8931153 14.2847597 14.7237530 14.8191811 14.9567080
15.3388638 15.7116316 16.1703724 16.5780885 16.7195272
16.8897101 17.5746026 17.7796526 17.9853226 18.7019651
18.9089650 19.4300415 19.5918313 19.9822590 20.2401993
20.4857290 20.6636044 20.6704845 20.9465011 21.2590638
21.7999656 22.3748973 22.8432973 22.9914556 23.3402021
23.4235347 24.4615824 24.5040632 24.6545802 24.7889263
24.8561326 24.9801207 25.3024665 25.5977332 26.4465415
26.7520654
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034322 0.0034323 0.0034337 0.0034338
0.0034342 17.6550845 19.1471659 28.3446258 30.3019067
34.2977992 40.5061600 58.5544673 63.3656228 70.6931866
77.1613965 83.0566298 90.0047159 101.3511674 107.4244494
117.3447344 118.1327349 121.7573097 134.3069394 138.1922671
141.2076493 156.3396845 160.7098450 167.0192005 174.0010607
181.8255908 189.2494036 193.4004022 202.2755782 225.4976518
237.8847653 239.4583082 259.0105828 267.3262901 273.5476815
281.8728331 288.7780891 293.3379117 303.6779865 305.0521160
316.2097188 324.0057829 327.9661171 330.1434229 331.7792115
335.1559187 343.4350349 344.5970658 351.1813001 355.6876732
361.5457702 367.8160876 374.8674115 376.8395528 383.3009780
384.8130678 392.9494073 393.9917973 395.7950321 399.2062860
404.7576822 410.4230555 416.6818096 418.0299349 419.9651832
425.2965656 430.4333609 436.6719462 442.1427486 444.0248505
446.2789246 455.2375081 457.8855257 460.5262567 469.6116919
472.2034543 478.6655198 480.6542611 485.4198948 488.5428617
491.4971362 493.6263337 493.7085046 496.9938613 500.6881909
507.0177743 513.6600691 519.0087456 520.6891327 524.6233134
525.5590230 537.0782359 537.5443879 539.1928023 540.6598739
541.3922802 542.7408952 546.2314600 549.4093349 558.4441214
561.6605730
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10480
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: 9.9897E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9900E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9903E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.6433E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.1090E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.8132E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.7866E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.9757E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1391
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2908
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3405
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4238
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5049
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5850
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6870
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8711
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9786
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.168
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.183
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.257
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.530
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.619
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.691
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.073
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.190
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.366
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.568
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.804
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.037
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.172
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.470
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.312
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.799
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.863
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.689
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.060
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.346
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.738
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 7.072
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.297
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.821
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.891
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.479
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.903
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.122
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 9.243
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.335
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.526
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 10.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 11.47
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 12.46
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.56
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 13.09
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.16
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 13.51
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 13.89
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.28
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 14.82
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 14.96
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.34
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 15.71
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 16.58
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 16.72
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 16.89
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.57
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 17.78
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 17.99
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 18.70
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 18.91
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 19.98
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 20.24
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.49
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 20.67
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 20.95
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 21.26
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 21.80
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 22.84
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 22.99
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 23.42
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 24.46
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 24.50
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 24.65
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 24.79
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.86
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 24.98
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 25.60
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 26.45
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 26.75
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 0.99999
1.00002 1.00002 0.99999 1.00003 0.99994
0.99998 1.00001 1.00000 1.00000 1.00001
0.99999 1.00001 1.00006 0.99998 0.99996
0.99997 1.00001 1.00000 1.00000 1.00000
0.99999 1.00001 0.99998 1.00001 0.99997
1.00002 1.00000 1.00003 1.00002 1.00001
1.00002 1.00000 0.99999 1.00002 1.00003
1.00002 1.00000 0.99999 1.00000 0.99999
1.00000 1.00004 0.99996 0.99998 0.99996
1.00000 1.00003 0.99998 1.00000 1.00002
1.00001 1.00000 1.00002 0.99998 1.00002
0.99998 1.00001 0.99999 1.00001 1.00001
1.00000 0.99998 0.99998 0.99999 1.00000
1.00001 1.00000 1.00001 1.00001 1.00001
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99998 1.00002
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 1.00000 0.99999 1.00002 1.00000
1.00002 1.00002 1.00001 1.00000 1.00002
0.99998 1.00002 1.00000 1.00001 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188640 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 0.99999
1.00002 1.00002 0.99999 1.00003 0.99994
0.99998 1.00001 1.00000 1.00000 1.00001
0.99999 1.00001 1.00006 0.99998 0.99996
0.99997 1.00001 1.00000 1.00000 1.00000
0.99999 1.00001 0.99998 1.00001 0.99997
1.00002 1.00000 1.00003 1.00002 1.00001
1.00002 1.00000 0.99999 1.00002 1.00003
1.00002 1.00000 0.99999 1.00000 0.99999
1.00000 1.00004 0.99996 0.99998 0.99996
1.00000 1.00003 0.99998 1.00000 1.00002
1.00001 1.00000 1.00002 0.99998 1.00002
0.99998 1.00001 0.99999 1.00001 1.00001
1.00000 0.99998 0.99998 0.99999 1.00000
1.00001 1.00000 1.00001 1.00001 1.00001
0.99999 1.00000 1.00000 1.00001 1.00000
1.00000 1.00000 1.00000 0.99998 1.00002
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 1.00000 0.99999 1.00002 1.00000
1.00002 1.00002 1.00001 1.00000 1.00002
0.99998 1.00002 1.00000 1.00001 0.99999
1.00002
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> 240111144458747373.eigenfacs
Openam> file on opening on unit 10:
240111144458747373.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240111144458747373.atom
Openam> file on opening on unit 11:
240111144458747373.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 = 10480
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: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9903E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
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: 2.6433E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1090E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8132E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.7866E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9757E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.689
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.297
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.903
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.526
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.47
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: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.16
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: 13.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 16.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 17.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 18.70
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: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 19.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 20.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 20.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 21.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 21.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 22.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 22.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 23.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 24.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 24.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 24.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 24.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 24.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 25.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 26.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 26.75
Bfactors> 106 vectors, 31440 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 : 0.026433
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= -0.311 for 1350 C-alpha atoms.
Bfactors> = 0.266 +/- 2.37
Bfactors> = 77.457 +/- 15.43
Bfactors> Shiftng-fct= 77.191
Bfactors> Scaling-fct= 6.510
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240111144458747373 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.7.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240111144458747373 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.8.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240111144458747373 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.9.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240111144458747373 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.10.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240111144458747373 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.11.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 240111144458747373 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.12.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 240111144458747373 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.13.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 240111144458747373 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.14.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 240111144458747373 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.15.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 240111144458747373 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=-20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=0
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=20
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=40
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=60
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=80
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=100
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=120
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=140
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=160
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=180
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=200
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=220
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=240
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=260
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=280
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=300
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=320
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=340
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=360
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=380
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=400
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=420
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=440
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=460
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=480
240111144458747373.eigenfacs
240111144458747373.atom
calculating perturbed structure for DQ=500
240111144458747373.eigenfacs
240111144458747373.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 240111144458747373.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
51 models are in 240111144458747373.16.pdb, 9 models will be skipped
MODEL 1 will be plotted
MODEL 11 will be plotted
MODEL 21 will be plotted
MODEL 31 will be plotted
MODEL 41 will be plotted
MODEL 51 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240111144458747373.10.pdb
240111144458747373.11.pdb
240111144458747373.12.pdb
240111144458747373.13.pdb
240111144458747373.14.pdb
240111144458747373.15.pdb
240111144458747373.16.pdb
240111144458747373.7.pdb
240111144458747373.8.pdb
240111144458747373.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m56.673s
user 0m56.430s
sys 0m0.184s
../../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: 240111144458747373.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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