***  g440s  ***
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 = 2401190756051809299.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 2401190756051809299.atom to be opened.
Openam> File opened: 2401190756051809299.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -7.209592 +/- 28.887487 From: -73.125000 To: 54.125000
= -0.238487 +/- 20.473673 From: -52.656000 To: 55.219000
= 0.257268 +/- 17.547585 From: -52.062000 To: 52.562000
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 0.7767 % Filled.
Pdbmat> 3837383 non-zero elements.
Pdbmat> 420254 atom-atom interactions.
Pdbmat> Number per atom= 80.22 +/- 23.32
Maximum number = 133
Minimum number = 8
Pdbmat> Matrix trace = 8.405080E+06
Pdbmat> Larger element = 506.014
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 = 2401190756051809299.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 2401190756051809299.atom to be opened.
Openam> file on opening on unit 11:
2401190756051809299.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10478 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1350 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 45
Blocpdb> 59 atoms in block 3
Block first atom: 100
Blocpdb> 57 atoms in block 4
Block first atom: 159
Blocpdb> 60 atoms in block 5
Block first atom: 216
Blocpdb> 54 atoms in block 6
Block first atom: 276
Blocpdb> 62 atoms in block 7
Block first atom: 330
Blocpdb> 55 atoms in block 8
Block first atom: 392
Blocpdb> 49 atoms in block 9
Block first atom: 447
Blocpdb> 55 atoms in block 10
Block first atom: 496
Blocpdb> 55 atoms in block 11
Block first atom: 551
Blocpdb> 56 atoms in block 12
Block first atom: 606
Blocpdb> 47 atoms in block 13
Block first atom: 662
Blocpdb> 59 atoms in block 14
Block first atom: 709
Blocpdb> 50 atoms in block 15
Block first atom: 768
Blocpdb> 58 atoms in block 16
Block first atom: 818
Blocpdb> 56 atoms in block 17
Block first atom: 876
Blocpdb> 59 atoms in block 18
Block first atom: 932
Blocpdb> 67 atoms in block 19
Block first atom: 991
Blocpdb> 58 atoms in block 20
Block first atom: 1058
Blocpdb> 65 atoms in block 21
Block first atom: 1116
Blocpdb> 64 atoms in block 22
Block first atom: 1181
Blocpdb> 59 atoms in block 23
Block first atom: 1245
Blocpdb> 56 atoms in block 24
Block first atom: 1304
Blocpdb> 59 atoms in block 25
Block first atom: 1360
Blocpdb> 50 atoms in block 26
Block first atom: 1419
Blocpdb> 60 atoms in block 27
Block first atom: 1469
Blocpdb> 58 atoms in block 28
Block first atom: 1529
Blocpdb> 57 atoms in block 29
Block first atom: 1587
Blocpdb> 37 atoms in block 30
Block first atom: 1644
Blocpdb> 56 atoms in block 31
Block first atom: 1681
Blocpdb> 60 atoms in block 32
Block first atom: 1737
Blocpdb> 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> 48 atoms in block 58
Block first atom: 3169
Blocpdb> 55 atoms in block 59
Block first atom: 3217
Blocpdb> 65 atoms in block 60
Block first atom: 3272
Blocpdb> 51 atoms in block 61
Block first atom: 3337
Blocpdb> 48 atoms in block 62
Block first atom: 3388
Blocpdb> 33 atoms in block 63
Block first atom: 3436
Blocpdb> 57 atoms in block 64
Block first atom: 3469
Blocpdb> 60 atoms in block 65
Block first atom: 3526
Blocpdb> 50 atoms in block 66
Block first atom: 3586
Blocpdb> 49 atoms in block 67
Block first atom: 3636
Blocpdb> 52 atoms in block 68
Block first atom: 3685
Blocpdb> 58 atoms in block 69
Block first atom: 3737
Blocpdb> 49 atoms in block 70
Block first atom: 3795
Blocpdb> 59 atoms in block 71
Block first atom: 3844
Blocpdb> 61 atoms in block 72
Block first atom: 3903
Blocpdb> 53 atoms in block 73
Block first atom: 3964
Blocpdb> 50 atoms in block 74
Block first atom: 4017
Blocpdb> 47 atoms in block 75
Block first atom: 4067
Blocpdb> 39 atoms in block 76
Block first atom: 4114
Blocpdb> 45 atoms in block 77
Block first atom: 4153
Blocpdb> 51 atoms in block 78
Block first atom: 4198
Blocpdb> 56 atoms in block 79
Block first atom: 4249
Blocpdb> 50 atoms in block 80
Block first atom: 4305
Blocpdb> 55 atoms in block 81
Block first atom: 4355
Blocpdb> 58 atoms in block 82
Block first atom: 4410
Blocpdb> 56 atoms in block 83
Block first atom: 4468
Blocpdb> 54 atoms in block 84
Block first atom: 4524
Blocpdb> 50 atoms in block 85
Block first atom: 4578
Blocpdb> 59 atoms in block 86
Block first atom: 4628
Blocpdb> 73 atoms in block 87
Block first atom: 4687
Blocpdb> 50 atoms in block 88
Block first atom: 4760
Blocpdb> 48 atoms in block 89
Block first atom: 4810
Blocpdb> 57 atoms in block 90
Block first atom: 4858
Blocpdb> 52 atoms in block 91
Block first atom: 4915
Blocpdb> 49 atoms in block 92
Block first atom: 4967
Blocpdb> 49 atoms in block 93
Block first atom: 5016
Blocpdb> 60 atoms in block 94
Block first atom: 5065
Blocpdb> 55 atoms in block 95
Block first atom: 5125
Blocpdb> 45 atoms in block 96
Block first atom: 5180
Blocpdb> 15 atoms in block 97
Block first atom: 5225
Blocpdb> 44 atoms in block 98
Block first atom: 5240
Blocpdb> 55 atoms in block 99
Block first atom: 5284
Blocpdb> 59 atoms in block 100
Block first atom: 5339
Blocpdb> 57 atoms in block 101
Block first atom: 5398
Blocpdb> 60 atoms in block 102
Block first atom: 5455
Blocpdb> 54 atoms in block 103
Block first atom: 5515
Blocpdb> 62 atoms in block 104
Block first atom: 5569
Blocpdb> 55 atoms in block 105
Block first atom: 5631
Blocpdb> 49 atoms in block 106
Block first atom: 5686
Blocpdb> 55 atoms in block 107
Block first atom: 5735
Blocpdb> 55 atoms in block 108
Block first atom: 5790
Blocpdb> 56 atoms in block 109
Block first atom: 5845
Blocpdb> 47 atoms in block 110
Block first atom: 5901
Blocpdb> 59 atoms in block 111
Block first atom: 5948
Blocpdb> 50 atoms in block 112
Block first atom: 6007
Blocpdb> 58 atoms in block 113
Block first atom: 6057
Blocpdb> 56 atoms in block 114
Block first atom: 6115
Blocpdb> 59 atoms in block 115
Block first atom: 6171
Blocpdb> 67 atoms in block 116
Block first atom: 6230
Blocpdb> 58 atoms in block 117
Block first atom: 6297
Blocpdb> 65 atoms in block 118
Block first atom: 6355
Blocpdb> 64 atoms in block 119
Block first atom: 6420
Blocpdb> 59 atoms in block 120
Block first atom: 6484
Blocpdb> 56 atoms in block 121
Block first atom: 6543
Blocpdb> 59 atoms in block 122
Block first atom: 6599
Blocpdb> 50 atoms in block 123
Block first atom: 6658
Blocpdb> 60 atoms in block 124
Block first atom: 6708
Blocpdb> 58 atoms in block 125
Block first atom: 6768
Blocpdb> 57 atoms in block 126
Block first atom: 6826
Blocpdb> 37 atoms in block 127
Block first atom: 6883
Blocpdb> 56 atoms in block 128
Block first atom: 6920
Blocpdb> 60 atoms in block 129
Block first atom: 6976
Blocpdb> 55 atoms in block 130
Block first atom: 7036
Blocpdb> 62 atoms in block 131
Block first atom: 7091
Blocpdb> 51 atoms in block 132
Block first atom: 7153
Blocpdb> 56 atoms in block 133
Block first atom: 7204
Blocpdb> 54 atoms in block 134
Block first atom: 7260
Blocpdb> 54 atoms in block 135
Block first atom: 7314
Blocpdb> 59 atoms in block 136
Block first atom: 7368
Blocpdb> 59 atoms in block 137
Block first atom: 7427
Blocpdb> 56 atoms in block 138
Block first atom: 7486
Blocpdb> 54 atoms in block 139
Block first atom: 7542
Blocpdb> 52 atoms in block 140
Block first atom: 7596
Blocpdb> 53 atoms in block 141
Block first atom: 7648
Blocpdb> 53 atoms in block 142
Block first atom: 7701
Blocpdb> 52 atoms in block 143
Block first atom: 7754
Blocpdb> 49 atoms in block 144
Block first atom: 7806
Blocpdb> 56 atoms in block 145
Block first atom: 7855
Blocpdb> 37 atoms in block 146
Block first atom: 7911
Blocpdb> 54 atoms in block 147
Block first atom: 7948
Blocpdb> 59 atoms in block 148
Block first atom: 8002
Blocpdb> 51 atoms in block 149
Block first atom: 8061
Blocpdb> 59 atoms in block 150
Block first atom: 8112
Blocpdb> 59 atoms in block 151
Block first atom: 8171
Blocpdb> 65 atoms in block 152
Block first atom: 8230
Blocpdb> 61 atoms in block 153
Block first atom: 8295
Blocpdb> 52 atoms in block 154
Block first atom: 8356
Blocpdb> 48 atoms in block 155
Block first atom: 8408
Blocpdb> 55 atoms in block 156
Block first atom: 8456
Blocpdb> 65 atoms in block 157
Block first atom: 8511
Blocpdb> 51 atoms in block 158
Block first atom: 8576
Blocpdb> 48 atoms in block 159
Block first atom: 8627
Blocpdb> 33 atoms in block 160
Block first atom: 8675
Blocpdb> 57 atoms in block 161
Block first atom: 8708
Blocpdb> 60 atoms in block 162
Block first atom: 8765
Blocpdb> 50 atoms in block 163
Block first atom: 8825
Blocpdb> 49 atoms in block 164
Block first atom: 8875
Blocpdb> 52 atoms in block 165
Block first atom: 8924
Blocpdb> 58 atoms in block 166
Block first atom: 8976
Blocpdb> 49 atoms in block 167
Block first atom: 9034
Blocpdb> 59 atoms in block 168
Block first atom: 9083
Blocpdb> 61 atoms in block 169
Block first atom: 9142
Blocpdb> 53 atoms in block 170
Block first atom: 9203
Blocpdb> 50 atoms in block 171
Block first atom: 9256
Blocpdb> 47 atoms in block 172
Block first atom: 9306
Blocpdb> 39 atoms in block 173
Block first atom: 9353
Blocpdb> 45 atoms in block 174
Block first atom: 9392
Blocpdb> 51 atoms in block 175
Block first atom: 9437
Blocpdb> 56 atoms in block 176
Block first atom: 9488
Blocpdb> 50 atoms in block 177
Block first atom: 9544
Blocpdb> 55 atoms in block 178
Block first atom: 9594
Blocpdb> 58 atoms in block 179
Block first atom: 9649
Blocpdb> 56 atoms in block 180
Block first atom: 9707
Blocpdb> 54 atoms in block 181
Block first atom: 9763
Blocpdb> 50 atoms in block 182
Block first atom: 9817
Blocpdb> 59 atoms in block 183
Block first atom: 9867
Blocpdb> 73 atoms in block 184
Block first atom: 9926
Blocpdb> 50 atoms in block 185
Block first atom: 9999
Blocpdb> 48 atoms in block 186
Block first atom: 10049
Blocpdb> 57 atoms in block 187
Block first atom: 10097
Blocpdb> 52 atoms in block 188
Block first atom: 10154
Blocpdb> 49 atoms in block 189
Block first atom: 10206
Blocpdb> 49 atoms in block 190
Block first atom: 10255
Blocpdb> 60 atoms in block 191
Block first atom: 10304
Blocpdb> 55 atoms in block 192
Block first atom: 10364
Blocpdb> 45 atoms in block 193
Block first atom: 10419
Blocpdb> 15 atoms in block 194
Block first atom: 10463
Blocpdb> 194 blocks.
Blocpdb> At most, 73 atoms in each of them.
Blocpdb> At least, 15 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 3837577 matrix lines read.
Prepmat> Matrix order = 31434
Prepmat> Matrix trace = 8405080.0000
Prepmat> Last element read: 31434 31434 95.6497
Prepmat> 18916 lines saved.
Prepmat> 17495 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 10478
RTB> Total mass = 10478.0000
RTB> Number of atoms found in matrix: 10478
RTB> Number of blocks = 194
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187905.7583
RTB> 48210 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: 48210
Diagstd> Projected matrix trace = 187905.7583
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 = 187905.7583
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 0.0257891 0.0266981 0.0361302 0.0666366
0.0679914 0.1323903 0.2101534 0.3074380 0.3871919
0.4161163 0.5122540 0.5568588 0.8339121 0.9452234
1.0276886 1.1613599 1.2160599 1.3869003 1.4934628
1.7042709 1.9788157 2.0127126 2.0436042 2.2677003
2.4326303 2.8539909 2.9757052 3.1422021 3.2035376
3.4133515 3.6053136 3.7887247 4.1884612 4.3869556
4.5130312 4.7491919 4.7860834 5.5972867 5.9466750
6.0506174 6.2547623 6.4736034 6.8584769 7.1259875
7.3560630 7.5435179 7.7097173 7.9457343 8.7228535
8.7733112 8.9818607 9.4491332 9.7465891 10.3520137
10.4330354 10.8929293 11.3309680 11.9626260 12.7087721
12.8447319 13.0150214 13.1833656 13.3030574 13.5501936
13.7098206 13.9019923 14.1686947 14.3272047 14.5821045
14.6040433 15.2789824 15.3602065 15.4118080 16.0242712
16.2825066 16.3773380 16.6516495 16.7568491 17.3277813
17.4417930 17.5138437 17.5807567 17.8013564 18.3602972
18.5985962 18.6364814 19.7898057 19.8600366 20.2704708
20.4128066 21.0469182 21.1936734 21.2349458 21.3241319
21.5894347 22.0290996 22.4199691 22.6443912 22.9116638
23.9041198
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034333 0.0034336 0.0034336 0.0034339
0.0034339 17.4386620 17.7433424 20.6409993 28.0318434
28.3153786 39.5114881 49.7809837 60.2107486 67.5707034
70.0491176 77.7209217 81.0341037 99.1643153 105.5753452
110.0844665 117.0250107 119.7492417 127.8844985 132.7065869
141.7635529 152.7558868 154.0586758 155.2364404 163.5264884
169.3687698 183.4516274 187.3226233 192.4918471 194.3614766
200.6253404 206.1896228 211.3692499 222.2401524 227.4452660
230.6903601 236.6492539 237.5666150 256.9118026 264.8087821
267.1130621 271.5818134 276.2920096 284.3865948 289.8797025
294.5221763 298.2512293 301.5188771 306.0992739 320.7189114
321.6451794 325.4456258 333.8037912 339.0171028 349.3877700
350.7523753 358.3996871 365.5348488 375.5852618 387.1213083
389.1865311 391.7578639 394.2833420 396.0691468 399.7311843
402.0787920 404.8869708 408.7522918 411.0323589 414.6726422
414.9844617 424.4655966 425.5923443 426.3066180 434.6947785
438.1833914 439.4575561 443.1226103 444.5201579 452.0294803
453.5141523 454.4499029 455.3172056 458.1649144 465.3022293
468.3120832 468.7888146 483.0766493 483.9330716 488.9080617
490.6215736 498.1837266 499.9175686 500.4040987 501.4538391
504.5635992 509.6753774 514.1771644 516.7441932 519.7848230
530.9231452
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10478
Rtb_to_modes> Number of blocs = 194
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.5789E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.6698E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.6130E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.6637E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.7991E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1324
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2102
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3074
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3872
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4161
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5123
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.5569
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8339
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9452
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.028
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.161
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.216
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.387
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.493
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.704
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.979
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.013
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.044
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.268
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.433
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.854
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.976
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.142
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.204
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.413
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.605
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.789
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.188
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 4.387
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.513
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.749
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.786
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.597
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.947
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.051
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 6.255
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.474
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.858
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 7.126
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.356
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.544
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 7.710
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.946
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 8.723
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 8.773
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 8.982
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 9.449
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 9.747
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 10.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 10.89
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 11.33
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 11.96
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 12.71
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 12.84
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 13.02
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 13.18
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 13.30
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 13.55
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 13.71
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 14.17
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 14.33
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 14.58
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 14.60
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 15.36
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 15.41
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 16.65
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 17.33
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 17.44
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 17.51
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 17.80
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 18.36
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 18.60
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 18.64
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 19.79
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 19.86
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.27
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 20.41
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 21.05
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 21.19
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 21.23
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 21.32
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 22.03
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 22.42
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 22.91
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 23.90
Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00001 1.00000 1.00004 0.99999
1.00001 0.99999 1.00000 1.00000 1.00000
1.00002 1.00003 1.00001 0.99997 1.00002
0.99999 1.00000 1.00001 0.99999 1.00001
1.00000 1.00003 0.99999 1.00003 1.00001
1.00002 1.00001 1.00001 0.99996 0.99998
0.99999 1.00000 1.00001 0.99998 1.00000
0.99998 0.99995 1.00000 1.00001 1.00004
1.00002 0.99995 1.00001 0.99998 0.99997
1.00001 1.00000 1.00002 0.99999 1.00003
1.00000 1.00000 0.99999 1.00001 1.00002
1.00001 1.00001 1.00000 1.00002 1.00000
0.99999 0.99999 0.99999 0.99998 0.99999
1.00003 1.00003 1.00001 0.99997 1.00001
0.99999 0.99998 1.00000 1.00002 1.00000
0.99999 1.00000 1.00000 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 0.99997
0.99998 1.00001 1.00002 1.00000 1.00001
1.00001 0.99997 0.99999 0.99999 1.00000
1.00002 1.00001 0.99999 0.99993 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 188604 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 1.00001 1.00000 1.00004 0.99999
1.00001 0.99999 1.00000 1.00000 1.00000
1.00002 1.00003 1.00001 0.99997 1.00002
0.99999 1.00000 1.00001 0.99999 1.00001
1.00000 1.00003 0.99999 1.00003 1.00001
1.00002 1.00001 1.00001 0.99996 0.99998
0.99999 1.00000 1.00001 0.99998 1.00000
0.99998 0.99995 1.00000 1.00001 1.00004
1.00002 0.99995 1.00001 0.99998 0.99997
1.00001 1.00000 1.00002 0.99999 1.00003
1.00000 1.00000 0.99999 1.00001 1.00002
1.00001 1.00001 1.00000 1.00002 1.00000
0.99999 0.99999 0.99999 0.99998 0.99999
1.00003 1.00003 1.00001 0.99997 1.00001
0.99999 0.99998 1.00000 1.00002 1.00000
0.99999 1.00000 1.00000 0.99999 1.00000
0.99999 0.99999 1.00000 1.00002 0.99997
0.99998 1.00001 1.00002 1.00000 1.00001
1.00001 0.99997 0.99999 0.99999 1.00000
1.00002 1.00001 0.99999 0.99993 1.00002
1.00000
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> 2401190756051809299.eigenfacs
Openam> file on opening on unit 10:
2401190756051809299.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401190756051809299.atom
Openam> file on opening on unit 11:
2401190756051809299.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 1350
First residue number = 1
Last residue number = 675
Number of atoms found = 10478
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5789E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.6698E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.6130E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6637E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7991E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5123
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.216
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 4.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 6.255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 7.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 7.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 8.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 8.773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 8.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 9.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 9.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 13.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 21.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 21.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 22.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 22.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 23.90
Bfactors> 106 vectors, 31434 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.025789
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= -0.294 for 1350 C-alpha atoms.
Bfactors> = 0.319 +/- 2.62
Bfactors> = 76.363 +/- 16.52
Bfactors> Shiftng-fct= 76.043
Bfactors> Scaling-fct= 6.303
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401190756051809299 7 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.7.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 2401190756051809299.7.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 2401190756051809299.7.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 2401190756051809299 8 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.8.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 2401190756051809299.8.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 2401190756051809299.8.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 2401190756051809299 9 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.9.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 2401190756051809299.9.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 2401190756051809299.9.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 2401190756051809299 10 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.10.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 2401190756051809299.10.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 2401190756051809299.10.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 2401190756051809299 11 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.11.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 2401190756051809299.11.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 2401190756051809299.11.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 2401190756051809299 12 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.12.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 2401190756051809299.12.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 2401190756051809299.12.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 2401190756051809299 13 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.13.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 2401190756051809299.13.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 2401190756051809299.13.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 2401190756051809299 14 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.14.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 2401190756051809299.14.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 2401190756051809299.14.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 2401190756051809299 15 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.15.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 2401190756051809299.15.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 2401190756051809299.15.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 2401190756051809299 16 -500 500 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-500
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=-20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=0
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=20
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=40
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=60
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=80
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=100
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=120
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=140
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=160
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=180
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=200
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=220
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=240
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=260
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=280
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=300
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=320
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=340
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=360
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=380
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=400
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=420
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=440
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=460
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=480
2401190756051809299.eigenfacs
2401190756051809299.atom
calculating perturbed structure for DQ=500
2401190756051809299.eigenfacs
2401190756051809299.atom
WARNING: max number of models (51) reached
no more models will be calculated for this mode
making animated gifs
51 models are in 2401190756051809299.16.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 2401190756051809299.16.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 2401190756051809299.16.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
2401190756051809299.10.pdb
2401190756051809299.11.pdb
2401190756051809299.12.pdb
2401190756051809299.13.pdb
2401190756051809299.14.pdb
2401190756051809299.15.pdb
2401190756051809299.16.pdb
2401190756051809299.7.pdb
2401190756051809299.8.pdb
2401190756051809299.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m56.561s
user 0m56.388s
sys 0m0.156s
../../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: 2401190756051809299.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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
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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