*** EXSA_mono2 ***
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 = 2401041300393831953.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 2401041300393831953.atom to be opened.
Openam> File opened: 2401041300393831953.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 = 279
First residue number = 0
Last residue number = 278
Number of atoms found = 4472
Mean number per residue = 16.0
Pdbmat> Coordinate statistics:
= 1.708633 +/- 10.937862 From: -25.514000 To: 29.256000
= 2.968197 +/- 9.002145 From: -21.088000 To: 32.016000
= -12.810325 +/- 18.728368 From: -48.613000 To: 25.636000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ACE ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.3802 % Filled.
Pdbmat> 3042197 non-zero elements.
Pdbmat> 335095 atom-atom interactions.
Pdbmat> Number per atom= 149.86 +/- 52.81
Maximum number = 249
Minimum number = 18
Pdbmat> Matrix trace = 6.701900E+06
Pdbmat> Larger element = 909.038
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
279 non-zero elements, NRBL set to 2
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 = 2401041300393831953.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2401041300393831953.atom to be opened.
Openam> file on opening on unit 11:
2401041300393831953.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4472 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 279 residues.
Blocpdb> 23 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 24
Blocpdb> 32 atoms in block 3
Block first atom: 48
Blocpdb> 30 atoms in block 4
Block first atom: 80
Blocpdb> 31 atoms in block 5
Block first atom: 110
Blocpdb> 39 atoms in block 6
Block first atom: 141
Blocpdb> 33 atoms in block 7
Block first atom: 180
Blocpdb> 22 atoms in block 8
Block first atom: 213
Blocpdb> 41 atoms in block 9
Block first atom: 235
Blocpdb> 33 atoms in block 10
Block first atom: 276
Blocpdb> 28 atoms in block 11
Block first atom: 309
Blocpdb> 35 atoms in block 12
Block first atom: 337
Blocpdb> 45 atoms in block 13
Block first atom: 372
Blocpdb> 30 atoms in block 14
Block first atom: 417
Blocpdb> 37 atoms in block 15
Block first atom: 447
Blocpdb> 22 atoms in block 16
Block first atom: 484
Blocpdb> 37 atoms in block 17
Block first atom: 506
Blocpdb> 35 atoms in block 18
Block first atom: 543
Blocpdb> 34 atoms in block 19
Block first atom: 578
Blocpdb> 22 atoms in block 20
Block first atom: 612
Blocpdb> 33 atoms in block 21
Block first atom: 634
Blocpdb> 33 atoms in block 22
Block first atom: 667
Blocpdb> 31 atoms in block 23
Block first atom: 700
Blocpdb> 23 atoms in block 24
Block first atom: 731
Blocpdb> 34 atoms in block 25
Block first atom: 754
Blocpdb> 30 atoms in block 26
Block first atom: 788
Blocpdb> 24 atoms in block 27
Block first atom: 818
Blocpdb> 22 atoms in block 28
Block first atom: 842
Blocpdb> 38 atoms in block 29
Block first atom: 864
Blocpdb> 36 atoms in block 30
Block first atom: 902
Blocpdb> 48 atoms in block 31
Block first atom: 938
Blocpdb> 18 atoms in block 32
Block first atom: 986
Blocpdb> 37 atoms in block 33
Block first atom: 1004
Blocpdb> 27 atoms in block 34
Block first atom: 1041
Blocpdb> 36 atoms in block 35
Block first atom: 1068
Blocpdb> 29 atoms in block 36
Block first atom: 1104
Blocpdb> 23 atoms in block 37
Block first atom: 1133
Blocpdb> 43 atoms in block 38
Block first atom: 1156
Blocpdb> 43 atoms in block 39
Block first atom: 1199
Blocpdb> 33 atoms in block 40
Block first atom: 1242
Blocpdb> 30 atoms in block 41
Block first atom: 1275
Blocpdb> 27 atoms in block 42
Block first atom: 1305
Blocpdb> 39 atoms in block 43
Block first atom: 1332
Blocpdb> 24 atoms in block 44
Block first atom: 1371
Blocpdb> 36 atoms in block 45
Block first atom: 1395
Blocpdb> 41 atoms in block 46
Block first atom: 1431
Blocpdb> 27 atoms in block 47
Block first atom: 1472
Blocpdb> 29 atoms in block 48
Block first atom: 1499
Blocpdb> 30 atoms in block 49
Block first atom: 1528
Blocpdb> 31 atoms in block 50
Block first atom: 1558
Blocpdb> 39 atoms in block 51
Block first atom: 1589
Blocpdb> 23 atoms in block 52
Block first atom: 1628
Blocpdb> 29 atoms in block 53
Block first atom: 1651
Blocpdb> 30 atoms in block 54
Block first atom: 1680
Blocpdb> 26 atoms in block 55
Block first atom: 1710
Blocpdb> 29 atoms in block 56
Block first atom: 1736
Blocpdb> 30 atoms in block 57
Block first atom: 1765
Blocpdb> 24 atoms in block 58
Block first atom: 1795
Blocpdb> 33 atoms in block 59
Block first atom: 1819
Blocpdb> 29 atoms in block 60
Block first atom: 1852
Blocpdb> 18 atoms in block 61
Block first atom: 1881
Blocpdb> 38 atoms in block 62
Block first atom: 1899
Blocpdb> 26 atoms in block 63
Block first atom: 1937
Blocpdb> 37 atoms in block 64
Block first atom: 1963
Blocpdb> 38 atoms in block 65
Block first atom: 2000
Blocpdb> 33 atoms in block 66
Block first atom: 2038
Blocpdb> 32 atoms in block 67
Block first atom: 2071
Blocpdb> 28 atoms in block 68
Block first atom: 2103
Blocpdb> 36 atoms in block 69
Block first atom: 2131
Blocpdb> 21 atoms in block 70
Block first atom: 2167
Blocpdb> 41 atoms in block 71
Block first atom: 2188
Blocpdb> 34 atoms in block 72
Block first atom: 2229
Blocpdb> 34 atoms in block 73
Block first atom: 2263
Blocpdb> 36 atoms in block 74
Block first atom: 2297
Blocpdb> 39 atoms in block 75
Block first atom: 2333
Blocpdb> 30 atoms in block 76
Block first atom: 2372
Blocpdb> 25 atoms in block 77
Block first atom: 2402
Blocpdb> 24 atoms in block 78
Block first atom: 2427
Blocpdb> 33 atoms in block 79
Block first atom: 2451
Blocpdb> 36 atoms in block 80
Block first atom: 2484
Blocpdb> 27 atoms in block 81
Block first atom: 2520
Blocpdb> 43 atoms in block 82
Block first atom: 2547
Blocpdb> 36 atoms in block 83
Block first atom: 2590
Blocpdb> 25 atoms in block 84
Block first atom: 2626
Blocpdb> 41 atoms in block 85
Block first atom: 2651
Blocpdb> 32 atoms in block 86
Block first atom: 2692
Blocpdb> 43 atoms in block 87
Block first atom: 2724
Blocpdb> 36 atoms in block 88
Block first atom: 2767
Blocpdb> 37 atoms in block 89
Block first atom: 2803
Blocpdb> 37 atoms in block 90
Block first atom: 2840
Blocpdb> 38 atoms in block 91
Block first atom: 2877
Blocpdb> 33 atoms in block 92
Block first atom: 2915
Blocpdb> 39 atoms in block 93
Block first atom: 2948
Blocpdb> 41 atoms in block 94
Block first atom: 2987
Blocpdb> 23 atoms in block 95
Block first atom: 3028
Blocpdb> 31 atoms in block 96
Block first atom: 3051
Blocpdb> 39 atoms in block 97
Block first atom: 3082
Blocpdb> 27 atoms in block 98
Block first atom: 3121
Blocpdb> 24 atoms in block 99
Block first atom: 3148
Blocpdb> 33 atoms in block 100
Block first atom: 3172
Blocpdb> 34 atoms in block 101
Block first atom: 3205
Blocpdb> 37 atoms in block 102
Block first atom: 3239
Blocpdb> 39 atoms in block 103
Block first atom: 3276
Blocpdb> 18 atoms in block 104
Block first atom: 3315
Blocpdb> 37 atoms in block 105
Block first atom: 3333
Blocpdb> 23 atoms in block 106
Block first atom: 3370
Blocpdb> 25 atoms in block 107
Block first atom: 3393
Blocpdb> 34 atoms in block 108
Block first atom: 3418
Blocpdb> 43 atoms in block 109
Block first atom: 3452
Blocpdb> 26 atoms in block 110
Block first atom: 3495
Blocpdb> 48 atoms in block 111
Block first atom: 3521
Blocpdb> 38 atoms in block 112
Block first atom: 3569
Blocpdb> 31 atoms in block 113
Block first atom: 3607
Blocpdb> 34 atoms in block 114
Block first atom: 3638
Blocpdb> 38 atoms in block 115
Block first atom: 3672
Blocpdb> 33 atoms in block 116
Block first atom: 3710
Blocpdb> 23 atoms in block 117
Block first atom: 3743
Blocpdb> 28 atoms in block 118
Block first atom: 3766
Blocpdb> 35 atoms in block 119
Block first atom: 3794
Blocpdb> 31 atoms in block 120
Block first atom: 3829
Blocpdb> 27 atoms in block 121
Block first atom: 3860
Blocpdb> 25 atoms in block 122
Block first atom: 3887
Blocpdb> 27 atoms in block 123
Block first atom: 3912
Blocpdb> 22 atoms in block 124
Block first atom: 3939
Blocpdb> 28 atoms in block 125
Block first atom: 3961
Blocpdb> 41 atoms in block 126
Block first atom: 3989
Blocpdb> 31 atoms in block 127
Block first atom: 4030
Blocpdb> 32 atoms in block 128
Block first atom: 4061
Blocpdb> 48 atoms in block 129
Block first atom: 4093
Blocpdb> 44 atoms in block 130
Block first atom: 4141
Blocpdb> 17 atoms in block 131
Block first atom: 4185
Blocpdb> 28 atoms in block 132
Block first atom: 4202
Blocpdb> 35 atoms in block 133
Block first atom: 4230
Blocpdb> 35 atoms in block 134
Block first atom: 4265
Blocpdb> 24 atoms in block 135
Block first atom: 4300
Blocpdb> 34 atoms in block 136
Block first atom: 4324
Blocpdb> 25 atoms in block 137
Block first atom: 4358
Blocpdb> 34 atoms in block 138
Block first atom: 4383
Blocpdb> 36 atoms in block 139
Block first atom: 4417
Blocpdb> 20 atoms in block 140
Block first atom: 4452
Blocpdb> 140 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 17 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> 3042337 matrix lines read.
Prepmat> Matrix order = 13416
Prepmat> Matrix trace = 6701900.0000
Prepmat> Last element read: 13416 13416 157.8962
Prepmat> 9871 lines saved.
Prepmat> 8306 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: 4472
RTB> Total mass = 4472.0000
RTB> Number of atoms found in matrix: 4472
RTB> Number of blocks = 140
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 345992.0969
RTB> 54204 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 = 840
Diagstd> Nb of non-zero elements: 54204
Diagstd> Projected matrix trace = 345992.0969
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 840 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 345992.0969
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 0.3072154 0.3327643 0.4006753 0.6250786
1.2640385 3.2942842 3.3167615 4.0031542 5.5024867
6.2723630 7.9238139 8.5059495 10.1834725 12.7713604
13.6221696 15.0153685 16.5735616 17.8556039 18.9792214
20.4586795 22.4889338 23.5591257 26.4287934 27.5138070
29.0992475 30.6324972 33.0770455 34.1287424 35.5628254
35.7333685 37.5754967 38.7184428 40.9571882 41.4487247
42.9192151 43.4408654 44.6353675 46.0627069 46.5136753
48.1211358 49.8187931 51.4093703 52.0040939 52.9752060
55.0924230 56.9635664 58.4038063 60.8335633 63.3773308
63.6171330 65.8439582 67.4508140 68.7635818 69.3220887
69.7508319 73.5095774 75.0750356 75.9927589 77.7745470
78.8726767 80.6103134 83.1076902 83.5538996 84.6656504
85.4173353 86.0646150 87.2899206 89.4328490 90.2476681
91.8704268 93.9007037 95.0464616 95.7655122 97.0248158
98.3021948 98.7573436 101.0570489 101.9554788 102.3504029
104.3153970 105.1424371 105.5625676 107.0000689 107.5972320
108.8616928 109.4197129 111.3990702 112.9087002 113.6414520
114.6408055 115.5903156 117.3654010 118.6526995 119.8202999
120.7465213 121.2428257 123.0938121 123.7215173 124.5854594
124.7454225
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034273 0.0034299 0.0034312 0.0034321 0.0034353
0.0034365 60.1889471 62.6417133 68.7371547 85.8544098
122.0886906 197.0950928 197.7663503 217.2683375 254.7268823
271.9636575 305.6767537 316.7062841 346.5319061 388.0733869
400.7914257 420.7879338 442.0823783 458.8624838 473.0798779
491.1725406 514.9673717 527.0779704 558.2567059 569.6008433
585.7821848 601.0166194 624.5376660 634.3886769 647.5799730
649.1308644 665.6526196 675.7004703 694.9608618 699.1186162
711.4119663 715.7222432 725.4956914 737.0042774 740.6032415
753.2917564 766.4642119 778.6036270 783.0942720 790.3721110
806.0114605 819.5847450 829.8810659 846.9678163 864.4945359
866.1284951 881.1568981 891.8439647 900.4809413 904.1304587
906.9220816 931.0376495 940.8991013 946.6324466 957.6659041
964.4030386 974.9685016 989.9559870 992.6099908 999.1918999
1003.6176483 1007.4131035 1014.5590507 1026.9370275 1031.6046111
1040.8380187 1052.2760932 1058.6764612 1062.6734939 1069.6376808
1076.6558081 1079.1454403 1091.6378515 1096.4796214 1098.6011735
1109.0968911 1113.4848182 1115.7072440 1123.2781447 1126.4082687
1133.0075973 1135.9077579 1146.1357608 1153.8755849 1157.6137253
1162.6925631 1167.4976229 1176.4279218 1182.8620322 1188.6677542
1193.2531626 1195.7029617 1204.7956506 1207.8636149 1212.0735084
1212.8513877
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4472
Rtb_to_modes> Number of blocs = 140
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: 9.9615E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9766E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9838E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9894E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0015E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3072
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3328
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4007
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.6251
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.264
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.294
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.317
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.003
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.502
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.272
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.924
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.506
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.18
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.62
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.86
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.49
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.56
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 26.43
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 27.51
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 29.10
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.63
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 33.08
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 34.13
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 35.56
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 35.73
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.58
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 38.72
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 40.96
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 41.45
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 42.92
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 43.44
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 44.64
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 46.06
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 46.51
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 49.82
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 51.41
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 52.00
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 52.98
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 55.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 56.96
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 58.40
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 60.83
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 63.38
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 63.62
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 65.84
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 67.45
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 68.76
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 69.32
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 69.75
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 73.51
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 75.08
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 75.99
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 77.77
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 78.87
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 80.61
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 83.11
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 83.55
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 84.67
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 85.42
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 86.06
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 87.29
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 89.43
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 90.25
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 91.87
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 93.90
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 95.05
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 95.77
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 97.02
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 98.30
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 98.76
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 101.1
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 102.0
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 102.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 105.1
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 105.6
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 107.0
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 107.6
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 108.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 109.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 113.6
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 114.6
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 115.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 117.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 118.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 119.8
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 120.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 121.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 123.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 123.7
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 124.6
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 124.7
Rtb_to_modes> 106 vectors, with 840 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 0.99997 1.00001 1.00000
1.00001 1.00005 1.00004 0.99999 1.00002
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 0.99996 0.99999 0.99997
0.99997 1.00002 1.00004 0.99998 0.99998
0.99998 0.99998 1.00004 1.00001 0.99995
0.99999 1.00000 1.00002 0.99997 1.00002
1.00002 0.99999 1.00001 1.00000 1.00002
0.99998 0.99999 1.00001 1.00003 1.00001
0.99999 1.00003 0.99999 0.99999 1.00001
1.00000 0.99999 0.99999 0.99998 0.99998
1.00001 1.00001 0.99999 1.00002 0.99998
1.00002 0.99999 1.00000 0.99999 1.00001
1.00001 1.00001 0.99998 0.99998 1.00001
0.99999 1.00000 1.00001 1.00000 0.99997
1.00000 1.00000 1.00001 1.00003 0.99999
1.00001 1.00001 0.99998 1.00001 0.99999
1.00000 0.99998 1.00001 1.00001 1.00003
0.99999 1.00003 1.00002 1.00001 1.00002
0.99996 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 0.99999 1.00001
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 80496 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 0.99997 1.00001 1.00000
1.00001 1.00005 1.00004 0.99999 1.00002
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 1.00000 0.99996 0.99999 0.99997
0.99997 1.00002 1.00004 0.99998 0.99998
0.99998 0.99998 1.00004 1.00001 0.99995
0.99999 1.00000 1.00002 0.99997 1.00002
1.00002 0.99999 1.00001 1.00000 1.00002
0.99998 0.99999 1.00001 1.00003 1.00001
0.99999 1.00003 0.99999 0.99999 1.00001
1.00000 0.99999 0.99999 0.99998 0.99998
1.00001 1.00001 0.99999 1.00002 0.99998
1.00002 0.99999 1.00000 0.99999 1.00001
1.00001 1.00001 0.99998 0.99998 1.00001
0.99999 1.00000 1.00001 1.00000 0.99997
1.00000 1.00000 1.00001 1.00003 0.99999
1.00001 1.00001 0.99998 1.00001 0.99999
1.00000 0.99998 1.00001 1.00001 1.00003
0.99999 1.00003 1.00002 1.00001 1.00002
0.99996 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 0.99999 1.00001
1.00004
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> 2401041300393831953.eigenfacs
Openam> file on opening on unit 10:
2401041300393831953.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401041300393831953.atom
Openam> file on opening on unit 11:
2401041300393831953.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 = 279
First residue number = 0
Last residue number = 278
Number of atoms found = 4472
Mean number per residue = 16.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9615E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9766E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9838E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 26.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 27.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 29.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 33.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 34.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 35.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 35.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 38.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 40.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 41.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 42.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 43.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 44.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 46.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 46.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 49.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 51.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 52.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 52.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 55.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 56.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 58.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 60.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 63.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 63.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 65.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 67.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 68.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 69.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 69.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 73.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 75.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 75.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 77.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 78.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 80.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 83.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 83.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 84.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 85.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 86.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 87.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 89.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 90.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 91.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 93.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 95.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 95.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 97.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 98.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 98.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 101.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 102.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 102.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 105.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 107.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 107.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 108.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 109.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 113.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 114.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 117.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 118.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 119.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 120.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 121.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 123.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 123.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 124.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 124.7
Bfactors> 106 vectors, 13416 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 : 0.307200
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= -0.548 for 279 C-alpha atoms.
Bfactors> = 0.042 +/- 0.12
Bfactors> = 78.775 +/- 16.88
Bfactors> Shiftng-fct= 78.734
Bfactors> Scaling-fct= 143.377
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401041300393831953 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=0
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=100
2401041300393831953.eigenfacs
2401041300393831953.atom
making animated gifs
11 models are in 2401041300393831953.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401041300393831953 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=0
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=100
2401041300393831953.eigenfacs
2401041300393831953.atom
making animated gifs
11 models are in 2401041300393831953.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401041300393831953 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=0
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=100
2401041300393831953.eigenfacs
2401041300393831953.atom
making animated gifs
11 models are in 2401041300393831953.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401041300393831953 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=0
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=100
2401041300393831953.eigenfacs
2401041300393831953.atom
making animated gifs
11 models are in 2401041300393831953.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401041300393831953 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=-20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=0
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=20
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=40
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=60
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=80
2401041300393831953.eigenfacs
2401041300393831953.atom
calculating perturbed structure for DQ=100
2401041300393831953.eigenfacs
2401041300393831953.atom
making animated gifs
11 models are in 2401041300393831953.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401041300393831953.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401041300393831953.10.pdb
2401041300393831953.11.pdb
2401041300393831953.7.pdb
2401041300393831953.8.pdb
2401041300393831953.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.348s
user 0m16.207s
sys 0m0.140s
../../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: 2401041300393831953.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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