*** 01-JUN-22 ***
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 = 240108103532197120.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 240108103532197120.atom to be opened.
Openam> File opened: 240108103532197120.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 = 314
First residue number = 1
Last residue number = 314
Number of atoms found = 2530
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -12.997009 +/- 21.249612 From: -86.429000 To: 29.547000
= -1.652487 +/- 15.109422 From: -62.453000 To: 24.956000
= -5.505758 +/- 14.505427 From: -54.904000 To: 23.809000
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 2.8399 % Filled.
Pdbmat> 818123 non-zero elements.
Pdbmat> 89232 atom-atom interactions.
Pdbmat> Number per atom= 70.54 +/- 29.80
Maximum number = 131
Minimum number = 8
Pdbmat> Matrix trace = 1.784640E+06
Pdbmat> Larger element = 503.978
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
314 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 = 240108103532197120.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 240108103532197120.atom to be opened.
Openam> file on opening on unit 11:
240108103532197120.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2530 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> 314 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 15 atoms in block 2
Block first atom: 13
Blocpdb> 16 atoms in block 3
Block first atom: 28
Blocpdb> 17 atoms in block 4
Block first atom: 44
Blocpdb> 18 atoms in block 5
Block first atom: 61
Blocpdb> 16 atoms in block 6
Block first atom: 79
Blocpdb> 15 atoms in block 7
Block first atom: 95
Blocpdb> 14 atoms in block 8
Block first atom: 110
Blocpdb> 14 atoms in block 9
Block first atom: 124
Blocpdb> 12 atoms in block 10
Block first atom: 138
Blocpdb> 15 atoms in block 11
Block first atom: 150
Blocpdb> 19 atoms in block 12
Block first atom: 165
Blocpdb> 22 atoms in block 13
Block first atom: 184
Blocpdb> 12 atoms in block 14
Block first atom: 206
Blocpdb> 12 atoms in block 15
Block first atom: 218
Blocpdb> 15 atoms in block 16
Block first atom: 230
Blocpdb> 19 atoms in block 17
Block first atom: 245
Blocpdb> 16 atoms in block 18
Block first atom: 264
Blocpdb> 14 atoms in block 19
Block first atom: 280
Blocpdb> 12 atoms in block 20
Block first atom: 294
Blocpdb> 20 atoms in block 21
Block first atom: 306
Blocpdb> 14 atoms in block 22
Block first atom: 326
Blocpdb> 13 atoms in block 23
Block first atom: 340
Blocpdb> 15 atoms in block 24
Block first atom: 353
Blocpdb> 12 atoms in block 25
Block first atom: 368
Blocpdb> 17 atoms in block 26
Block first atom: 380
Blocpdb> 16 atoms in block 27
Block first atom: 397
Blocpdb> 19 atoms in block 28
Block first atom: 413
Blocpdb> 16 atoms in block 29
Block first atom: 432
Blocpdb> 11 atoms in block 30
Block first atom: 448
Blocpdb> 17 atoms in block 31
Block first atom: 459
Blocpdb> 16 atoms in block 32
Block first atom: 476
Blocpdb> 21 atoms in block 33
Block first atom: 492
Blocpdb> 13 atoms in block 34
Block first atom: 513
Blocpdb> 12 atoms in block 35
Block first atom: 526
Blocpdb> 18 atoms in block 36
Block first atom: 538
Blocpdb> 15 atoms in block 37
Block first atom: 556
Blocpdb> 18 atoms in block 38
Block first atom: 571
Blocpdb> 15 atoms in block 39
Block first atom: 589
Blocpdb> 13 atoms in block 40
Block first atom: 604
Blocpdb> 20 atoms in block 41
Block first atom: 617
Blocpdb> 18 atoms in block 42
Block first atom: 637
Blocpdb> 17 atoms in block 43
Block first atom: 655
Blocpdb> 17 atoms in block 44
Block first atom: 672
Blocpdb> 14 atoms in block 45
Block first atom: 689
Blocpdb> 17 atoms in block 46
Block first atom: 703
Blocpdb> 23 atoms in block 47
Block first atom: 720
Blocpdb> 19 atoms in block 48
Block first atom: 743
Blocpdb> 23 atoms in block 49
Block first atom: 762
Blocpdb> 14 atoms in block 50
Block first atom: 785
Blocpdb> 18 atoms in block 51
Block first atom: 799
Blocpdb> 19 atoms in block 52
Block first atom: 817
Blocpdb> 16 atoms in block 53
Block first atom: 836
Blocpdb> 13 atoms in block 54
Block first atom: 852
Blocpdb> 16 atoms in block 55
Block first atom: 865
Blocpdb> 15 atoms in block 56
Block first atom: 881
Blocpdb> 17 atoms in block 57
Block first atom: 896
Blocpdb> 15 atoms in block 58
Block first atom: 913
Blocpdb> 14 atoms in block 59
Block first atom: 928
Blocpdb> 15 atoms in block 60
Block first atom: 942
Blocpdb> 12 atoms in block 61
Block first atom: 957
Blocpdb> 16 atoms in block 62
Block first atom: 969
Blocpdb> 23 atoms in block 63
Block first atom: 985
Blocpdb> 15 atoms in block 64
Block first atom: 1008
Blocpdb> 14 atoms in block 65
Block first atom: 1023
Blocpdb> 15 atoms in block 66
Block first atom: 1037
Blocpdb> 16 atoms in block 67
Block first atom: 1052
Blocpdb> 19 atoms in block 68
Block first atom: 1068
Blocpdb> 18 atoms in block 69
Block first atom: 1087
Blocpdb> 13 atoms in block 70
Block first atom: 1105
Blocpdb> 11 atoms in block 71
Block first atom: 1118
Blocpdb> 12 atoms in block 72
Block first atom: 1129
Blocpdb> 18 atoms in block 73
Block first atom: 1141
Blocpdb> 16 atoms in block 74
Block first atom: 1159
Blocpdb> 21 atoms in block 75
Block first atom: 1175
Blocpdb> 20 atoms in block 76
Block first atom: 1196
Blocpdb> 17 atoms in block 77
Block first atom: 1216
Blocpdb> 21 atoms in block 78
Block first atom: 1233
Blocpdb> 21 atoms in block 79
Block first atom: 1254
Blocpdb> 18 atoms in block 80
Block first atom: 1275
Blocpdb> 24 atoms in block 81
Block first atom: 1293
Blocpdb> 15 atoms in block 82
Block first atom: 1317
Blocpdb> 11 atoms in block 83
Block first atom: 1332
Blocpdb> 17 atoms in block 84
Block first atom: 1343
Blocpdb> 16 atoms in block 85
Block first atom: 1360
Blocpdb> 20 atoms in block 86
Block first atom: 1376
Blocpdb> 14 atoms in block 87
Block first atom: 1396
Blocpdb> 16 atoms in block 88
Block first atom: 1410
Blocpdb> 17 atoms in block 89
Block first atom: 1426
Blocpdb> 11 atoms in block 90
Block first atom: 1443
Blocpdb> 14 atoms in block 91
Block first atom: 1454
Blocpdb> 21 atoms in block 92
Block first atom: 1468
Blocpdb> 17 atoms in block 93
Block first atom: 1489
Blocpdb> 23 atoms in block 94
Block first atom: 1506
Blocpdb> 16 atoms in block 95
Block first atom: 1529
Blocpdb> 15 atoms in block 96
Block first atom: 1545
Blocpdb> 21 atoms in block 97
Block first atom: 1560
Blocpdb> 13 atoms in block 98
Block first atom: 1581
Blocpdb> 19 atoms in block 99
Block first atom: 1594
Blocpdb> 9 atoms in block 100
Block first atom: 1613
Blocpdb> 15 atoms in block 101
Block first atom: 1622
Blocpdb> 22 atoms in block 102
Block first atom: 1637
Blocpdb> 13 atoms in block 103
Block first atom: 1659
Blocpdb> 19 atoms in block 104
Block first atom: 1672
Blocpdb> 13 atoms in block 105
Block first atom: 1691
Blocpdb> 14 atoms in block 106
Block first atom: 1704
Blocpdb> 17 atoms in block 107
Block first atom: 1718
Blocpdb> 18 atoms in block 108
Block first atom: 1735
Blocpdb> 14 atoms in block 109
Block first atom: 1753
Blocpdb> 20 atoms in block 110
Block first atom: 1767
Blocpdb> 12 atoms in block 111
Block first atom: 1787
Blocpdb> 16 atoms in block 112
Block first atom: 1799
Blocpdb> 19 atoms in block 113
Block first atom: 1815
Blocpdb> 15 atoms in block 114
Block first atom: 1834
Blocpdb> 18 atoms in block 115
Block first atom: 1849
Blocpdb> 14 atoms in block 116
Block first atom: 1867
Blocpdb> 9 atoms in block 117
Block first atom: 1881
Blocpdb> 14 atoms in block 118
Block first atom: 1890
Blocpdb> 21 atoms in block 119
Block first atom: 1904
Blocpdb> 17 atoms in block 120
Block first atom: 1925
Blocpdb> 17 atoms in block 121
Block first atom: 1942
Blocpdb> 18 atoms in block 122
Block first atom: 1959
Blocpdb> 15 atoms in block 123
Block first atom: 1977
Blocpdb> 15 atoms in block 124
Block first atom: 1992
Blocpdb> 19 atoms in block 125
Block first atom: 2007
Blocpdb> 17 atoms in block 126
Block first atom: 2026
Blocpdb> 20 atoms in block 127
Block first atom: 2043
Blocpdb> 15 atoms in block 128
Block first atom: 2063
Blocpdb> 16 atoms in block 129
Block first atom: 2078
Blocpdb> 18 atoms in block 130
Block first atom: 2094
Blocpdb> 17 atoms in block 131
Block first atom: 2112
Blocpdb> 15 atoms in block 132
Block first atom: 2129
Blocpdb> 22 atoms in block 133
Block first atom: 2144
Blocpdb> 17 atoms in block 134
Block first atom: 2166
Blocpdb> 19 atoms in block 135
Block first atom: 2183
Blocpdb> 13 atoms in block 136
Block first atom: 2202
Blocpdb> 12 atoms in block 137
Block first atom: 2215
Blocpdb> 14 atoms in block 138
Block first atom: 2227
Blocpdb> 19 atoms in block 139
Block first atom: 2241
Blocpdb> 14 atoms in block 140
Block first atom: 2260
Blocpdb> 17 atoms in block 141
Block first atom: 2274
Blocpdb> 17 atoms in block 142
Block first atom: 2291
Blocpdb> 11 atoms in block 143
Block first atom: 2308
Blocpdb> 15 atoms in block 144
Block first atom: 2319
Blocpdb> 15 atoms in block 145
Block first atom: 2334
Blocpdb> 15 atoms in block 146
Block first atom: 2349
Blocpdb> 15 atoms in block 147
Block first atom: 2364
Blocpdb> 13 atoms in block 148
Block first atom: 2379
Blocpdb> 13 atoms in block 149
Block first atom: 2392
Blocpdb> 14 atoms in block 150
Block first atom: 2405
Blocpdb> 17 atoms in block 151
Block first atom: 2419
Blocpdb> 15 atoms in block 152
Block first atom: 2436
Blocpdb> 13 atoms in block 153
Block first atom: 2451
Blocpdb> 16 atoms in block 154
Block first atom: 2464
Blocpdb> 17 atoms in block 155
Block first atom: 2480
Blocpdb> 15 atoms in block 156
Block first atom: 2497
Blocpdb> 19 atoms in block 157
Block first atom: 2511
Blocpdb> 157 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 9 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> 818280 matrix lines read.
Prepmat> Matrix order = 7590
Prepmat> Matrix trace = 1784640.0000
Prepmat> Last element read: 7590 7590 88.8822
Prepmat> 12404 lines saved.
Prepmat> 10980 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: 2530
RTB> Total mass = 2530.0000
RTB> Number of atoms found in matrix: 2530
RTB> Number of blocks = 157
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 176927.5689
RTB> 48873 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 = 942
Diagstd> Nb of non-zero elements: 48873
Diagstd> Projected matrix trace = 176927.5689
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 942 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 176927.5689
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 0.0008171 0.0014289 0.0047033 0.0131528
0.0135339 0.0157531 0.0251749 0.0517169 0.0633744
0.0659918 0.0819913 0.0838185 0.1260035 0.1389337
0.1782806 0.2307075 0.2445571 0.3096496 0.3267133
0.3695245 0.4364856 0.4983331 0.5802045 0.6472460
0.6911068 0.7287116 0.9014045 0.9583926 1.0995875
1.1665228 1.2173767 1.3635449 1.4321190 1.5283427
1.6512111 1.6865474 1.7765724 1.8427746 1.9719949
2.0325146 2.1944376 2.3711498 2.4503232 2.5864488
2.6035877 2.9673884 3.1254694 3.2165545 3.3352290
3.5441001 3.7091501 3.9801801 4.1614570 4.4103786
4.5291625 4.6199729 4.9689021 5.1650973 5.2742288
5.3694830 5.6540449 6.0713664 6.2404335 6.3147653
6.6003672 6.9208416 7.0613166 7.2293074 7.4128356
7.5690647 7.7912800 7.9219108 8.0932233 8.1575302
8.9747438 9.4106488 9.4663202 9.8534784 10.1398455
10.7770271 10.8253930 11.3658297 11.8780254 12.3075575
12.4621911 12.6978412 13.0149896 13.5266472 13.5391843
13.7753923 14.5336019 14.7427083 15.0587737 15.6568554
15.9122139 16.5716780 16.9128071 17.0994225 17.2646647
17.6746724
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034330 0.0034335 0.0034335 0.0034343
0.0034348 3.1041259 4.1048661 7.4472528 12.4538641
12.6330201 13.6294507 17.2297408 24.6951523 27.3370750
27.8958964 31.0941784 31.4387500 38.5466438 40.4761356
45.8508482 52.1586295 53.7013799 60.4269325 62.0695652
66.0110897 71.7431194 76.6575869 82.7152977 87.3634887
90.2750763 92.6985909 103.0991609 106.3082609 113.8702240
117.2848425 119.8140564 126.8031384 129.9525585 134.2473296
139.5393144 141.0244964 144.7393895 147.4115088 152.4923915
154.8146725 160.8632714 167.2148230 169.9835771 174.6414060
175.2190771 187.0606677 191.9786377 194.7559521 198.3161613
204.4317130 209.1377747 216.6439893 221.5225727 228.0516482
231.1022807 233.4076007 242.0613778 246.7939632 249.3875479
251.6294774 258.2111004 267.5706673 271.2705568 272.8813712
278.9840214 285.6766430 288.5613249 291.9736270 295.6565235
298.7558299 303.1095958 305.6400438 308.9271251 310.1520282
325.3166636 333.1233404 334.1072308 340.8710076 345.7888210
356.4878797 357.2869195 366.0967323 374.2548226 380.9616127
383.3473665 386.9547886 391.7573862 399.3837234 399.5687639
403.0391812 413.9824307 416.9499406 421.3956852 429.6823850
433.1722080 442.0572564 446.5839680 449.0410058 451.2054682
456.5317291
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2530
Rtb_to_modes> Number of blocs = 157
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: 9.9938E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.1712E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.4289E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.7033E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.3153E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.3534E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.5753E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.5175E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 5.1717E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.3374E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.5992E-02
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.1991E-02
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.3819E-02
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.1260
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.1389
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.1783
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.2307
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.2446
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.3096
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.3267
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.3695
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.4365
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.4983
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.5802
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.6472
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.6911
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.7287
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.9014
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.9584
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.100
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.167
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.217
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.364
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.432
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.528
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.651
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.687
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.777
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.843
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.972
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.033
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.194
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.371
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 2.450
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 2.586
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 2.604
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 2.967
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.125
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.217
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.335
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 3.544
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 3.709
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 3.980
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.161
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.410
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.529
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.620
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.969
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.165
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.274
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.369
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.654
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 6.071
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.240
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.315
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.600
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.921
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 7.061
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 7.229
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.413
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.569
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.791
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.922
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 8.093
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.158
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 8.975
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 9.411
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 9.466
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 9.853
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 10.78
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 10.83
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 12.31
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 12.46
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 13.53
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 13.54
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 14.53
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 14.74
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 15.66
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 15.91
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 16.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 17.26
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 17.67
Rtb_to_modes> 106 vectors, with 942 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00004 0.99998 1.00001 1.00000
1.00002 0.99995 1.00000 1.00001 1.00000
1.00003 1.00003 1.00001 1.00003 1.00005
1.00000 0.99998 0.99998 0.99997 0.99998
1.00001 0.99999 1.00000 1.00001 0.99999
1.00002 0.99995 1.00000 0.99997 1.00002
1.00003 1.00001 1.00004 0.99997 0.99999
1.00000 0.99998 0.99998 1.00001 1.00002
1.00000 0.99999 1.00001 1.00001 0.99999
0.99998 0.99998 1.00000 0.99999 1.00000
1.00001 1.00002 0.99998 0.99996 1.00002
1.00002 1.00001 0.99999 1.00005 0.99998
1.00001 1.00003 1.00001 1.00000 1.00001
0.99999 1.00004 1.00001 1.00005 1.00000
1.00001 0.99998 1.00000 1.00000 0.99998
1.00000 1.00001 1.00001 1.00002 1.00000
0.99997 0.99999 1.00000 0.99999 0.99999
1.00000 1.00000 0.99999 1.00000 1.00001
1.00004 1.00000 1.00002 0.99999 1.00003
1.00000 1.00000 1.00001 1.00000 0.99998
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 45540 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99998 1.00000
0.99999 1.00004 0.99998 1.00001 1.00000
1.00002 0.99995 1.00000 1.00001 1.00000
1.00003 1.00003 1.00001 1.00003 1.00005
1.00000 0.99998 0.99998 0.99997 0.99998
1.00001 0.99999 1.00000 1.00001 0.99999
1.00002 0.99995 1.00000 0.99997 1.00002
1.00003 1.00001 1.00004 0.99997 0.99999
1.00000 0.99998 0.99998 1.00001 1.00002
1.00000 0.99999 1.00001 1.00001 0.99999
0.99998 0.99998 1.00000 0.99999 1.00000
1.00001 1.00002 0.99998 0.99996 1.00002
1.00002 1.00001 0.99999 1.00005 0.99998
1.00001 1.00003 1.00001 1.00000 1.00001
0.99999 1.00004 1.00001 1.00005 1.00000
1.00001 0.99998 1.00000 1.00000 0.99998
1.00000 1.00001 1.00001 1.00002 1.00000
0.99997 0.99999 1.00000 0.99999 0.99999
1.00000 1.00000 0.99999 1.00000 1.00001
1.00004 1.00000 1.00002 0.99999 1.00003
1.00000 1.00000 1.00001 1.00000 0.99998
0.99998
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> 240108103532197120.eigenfacs
Openam> file on opening on unit 10:
240108103532197120.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240108103532197120.atom
Openam> file on opening on unit 11:
240108103532197120.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 = 314
First residue number = 1
Last residue number = 314
Number of atoms found = 2530
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9938E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1712E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4289E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.7033E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3153E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3534E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5753E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.5175E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 5.1717E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3374E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.5992E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.1991E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3819E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2446
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3267
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.167
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.604
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.544
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 6.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 7.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 7.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.569
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 8.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 8.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 9.411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 9.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.853
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 10.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 12.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 14.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 14.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 17.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Bfactors> 106 vectors, 7590 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 : 0.000817
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= -0.370 for 314 C-alpha atoms.
Bfactors> = 14.844 +/- 46.79
Bfactors> = 80.736 +/- 20.07
Bfactors> Shiftng-fct= 65.892
Bfactors> Scaling-fct= 0.429
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240108103532197120 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=0
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=100
240108103532197120.eigenfacs
240108103532197120.atom
making animated gifs
11 models are in 240108103532197120.7.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 240108103532197120.7.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 240108103532197120.7.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 240108103532197120 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=0
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=100
240108103532197120.eigenfacs
240108103532197120.atom
making animated gifs
11 models are in 240108103532197120.8.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 240108103532197120.8.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 240108103532197120.8.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 240108103532197120 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=0
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=100
240108103532197120.eigenfacs
240108103532197120.atom
making animated gifs
11 models are in 240108103532197120.9.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 240108103532197120.9.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 240108103532197120.9.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 240108103532197120 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=0
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=100
240108103532197120.eigenfacs
240108103532197120.atom
making animated gifs
11 models are in 240108103532197120.10.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 240108103532197120.10.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 240108103532197120.10.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 240108103532197120 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=-20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=0
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=20
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=40
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=60
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=80
240108103532197120.eigenfacs
240108103532197120.atom
calculating perturbed structure for DQ=100
240108103532197120.eigenfacs
240108103532197120.atom
making animated gifs
11 models are in 240108103532197120.11.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 240108103532197120.11.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 240108103532197120.11.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
240108103532197120.10.pdb
240108103532197120.11.pdb
240108103532197120.7.pdb
240108103532197120.8.pdb
240108103532197120.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.859s
user 0m13.823s
sys 0m0.036s
../../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: 240108103532197120.Chkmod.res: No such file or directory
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
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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