*** ***
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 = 2403112111162831925.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 2403112111162831925.atom to be opened.
Openam> File opened: 2403112111162831925.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 = 372
First residue number = 1
Last residue number = 372
Number of atoms found = 2842
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= 1.523304 +/- 12.930889 From: -25.738000 To: 36.384000
= 3.373819 +/- 13.756297 From: -20.519000 To: 56.757000
= 4.630666 +/- 16.527439 From: -35.173000 To: 52.934000
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 2.5630 % Filled.
Pdbmat> 931652 non-zero elements.
Pdbmat> 101640 atom-atom interactions.
Pdbmat> Number per atom= 71.53 +/- 26.20
Maximum number = 129
Minimum number = 8
Pdbmat> Matrix trace = 2.032800E+06
Pdbmat> Larger element = 487.093
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
372 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 = 2403112111162831925.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 2403112111162831925.atom to be opened.
Openam> file on opening on unit 11:
2403112111162831925.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2842 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> 372 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 11 atoms in block 2
Block first atom: 16
Blocpdb> 18 atoms in block 3
Block first atom: 27
Blocpdb> 12 atoms in block 4
Block first atom: 45
Blocpdb> 19 atoms in block 5
Block first atom: 57
Blocpdb> 19 atoms in block 6
Block first atom: 76
Blocpdb> 15 atoms in block 7
Block first atom: 95
Blocpdb> 13 atoms in block 8
Block first atom: 110
Blocpdb> 14 atoms in block 9
Block first atom: 123
Blocpdb> 17 atoms in block 10
Block first atom: 137
Blocpdb> 12 atoms in block 11
Block first atom: 154
Blocpdb> 15 atoms in block 12
Block first atom: 166
Blocpdb> 20 atoms in block 13
Block first atom: 181
Blocpdb> 20 atoms in block 14
Block first atom: 201
Blocpdb> 17 atoms in block 15
Block first atom: 221
Blocpdb> 18 atoms in block 16
Block first atom: 238
Blocpdb> 19 atoms in block 17
Block first atom: 256
Blocpdb> 15 atoms in block 18
Block first atom: 275
Blocpdb> 15 atoms in block 19
Block first atom: 290
Blocpdb> 9 atoms in block 20
Block first atom: 305
Blocpdb> 9 atoms in block 21
Block first atom: 314
Blocpdb> 13 atoms in block 22
Block first atom: 323
Blocpdb> 10 atoms in block 23
Block first atom: 336
Blocpdb> 12 atoms in block 24
Block first atom: 346
Blocpdb> 15 atoms in block 25
Block first atom: 358
Blocpdb> 22 atoms in block 26
Block first atom: 373
Blocpdb> 13 atoms in block 27
Block first atom: 395
Blocpdb> 15 atoms in block 28
Block first atom: 408
Blocpdb> 12 atoms in block 29
Block first atom: 423
Blocpdb> 17 atoms in block 30
Block first atom: 435
Blocpdb> 12 atoms in block 31
Block first atom: 452
Blocpdb> 21 atoms in block 32
Block first atom: 464
Blocpdb> 16 atoms in block 33
Block first atom: 485
Blocpdb> 17 atoms in block 34
Block first atom: 501
Blocpdb> 14 atoms in block 35
Block first atom: 518
Blocpdb> 13 atoms in block 36
Block first atom: 532
Blocpdb> 17 atoms in block 37
Block first atom: 545
Blocpdb> 15 atoms in block 38
Block first atom: 562
Blocpdb> 16 atoms in block 39
Block first atom: 577
Blocpdb> 20 atoms in block 40
Block first atom: 593
Blocpdb> 16 atoms in block 41
Block first atom: 613
Blocpdb> 17 atoms in block 42
Block first atom: 629
Blocpdb> 23 atoms in block 43
Block first atom: 646
Blocpdb> 14 atoms in block 44
Block first atom: 669
Blocpdb> 16 atoms in block 45
Block first atom: 683
Blocpdb> 17 atoms in block 46
Block first atom: 699
Blocpdb> 16 atoms in block 47
Block first atom: 716
Blocpdb> 21 atoms in block 48
Block first atom: 732
Blocpdb> 14 atoms in block 49
Block first atom: 753
Blocpdb> 20 atoms in block 50
Block first atom: 767
Blocpdb> 14 atoms in block 51
Block first atom: 787
Blocpdb> 12 atoms in block 52
Block first atom: 801
Blocpdb> 20 atoms in block 53
Block first atom: 813
Blocpdb> 19 atoms in block 54
Block first atom: 833
Blocpdb> 19 atoms in block 55
Block first atom: 852
Blocpdb> 17 atoms in block 56
Block first atom: 871
Blocpdb> 17 atoms in block 57
Block first atom: 888
Blocpdb> 15 atoms in block 58
Block first atom: 905
Blocpdb> 16 atoms in block 59
Block first atom: 920
Blocpdb> 17 atoms in block 60
Block first atom: 936
Blocpdb> 13 atoms in block 61
Block first atom: 953
Blocpdb> 17 atoms in block 62
Block first atom: 966
Blocpdb> 16 atoms in block 63
Block first atom: 983
Blocpdb> 12 atoms in block 64
Block first atom: 999
Blocpdb> 18 atoms in block 65
Block first atom: 1011
Blocpdb> 10 atoms in block 66
Block first atom: 1029
Blocpdb> 11 atoms in block 67
Block first atom: 1039
Blocpdb> 13 atoms in block 68
Block first atom: 1050
Blocpdb> 17 atoms in block 69
Block first atom: 1063
Blocpdb> 15 atoms in block 70
Block first atom: 1080
Blocpdb> 14 atoms in block 71
Block first atom: 1095
Blocpdb> 14 atoms in block 72
Block first atom: 1109
Blocpdb> 17 atoms in block 73
Block first atom: 1123
Blocpdb> 10 atoms in block 74
Block first atom: 1140
Blocpdb> 10 atoms in block 75
Block first atom: 1150
Blocpdb> 14 atoms in block 76
Block first atom: 1160
Blocpdb> 15 atoms in block 77
Block first atom: 1174
Blocpdb> 17 atoms in block 78
Block first atom: 1189
Blocpdb> 18 atoms in block 79
Block first atom: 1206
Blocpdb> 14 atoms in block 80
Block first atom: 1224
Blocpdb> 18 atoms in block 81
Block first atom: 1238
Blocpdb> 20 atoms in block 82
Block first atom: 1256
Blocpdb> 17 atoms in block 83
Block first atom: 1276
Blocpdb> 13 atoms in block 84
Block first atom: 1293
Blocpdb> 10 atoms in block 85
Block first atom: 1306
Blocpdb> 14 atoms in block 86
Block first atom: 1316
Blocpdb> 17 atoms in block 87
Block first atom: 1330
Blocpdb> 12 atoms in block 88
Block first atom: 1347
Blocpdb> 13 atoms in block 89
Block first atom: 1359
Blocpdb> 8 atoms in block 90
Block first atom: 1372
Blocpdb> 15 atoms in block 91
Block first atom: 1380
Blocpdb> 16 atoms in block 92
Block first atom: 1395
Blocpdb> 15 atoms in block 93
Block first atom: 1411
Blocpdb> 18 atoms in block 94
Block first atom: 1426
Blocpdb> 15 atoms in block 95
Block first atom: 1444
Blocpdb> 17 atoms in block 96
Block first atom: 1459
Blocpdb> 15 atoms in block 97
Block first atom: 1476
Blocpdb> 13 atoms in block 98
Block first atom: 1491
Blocpdb> 22 atoms in block 99
Block first atom: 1504
Blocpdb> 13 atoms in block 100
Block first atom: 1526
Blocpdb> 18 atoms in block 101
Block first atom: 1539
Blocpdb> 18 atoms in block 102
Block first atom: 1557
Blocpdb> 12 atoms in block 103
Block first atom: 1575
Blocpdb> 13 atoms in block 104
Block first atom: 1587
Blocpdb> 17 atoms in block 105
Block first atom: 1600
Blocpdb> 15 atoms in block 106
Block first atom: 1617
Blocpdb> 16 atoms in block 107
Block first atom: 1632
Blocpdb> 11 atoms in block 108
Block first atom: 1648
Blocpdb> 14 atoms in block 109
Block first atom: 1659
Blocpdb> 16 atoms in block 110
Block first atom: 1673
Blocpdb> 17 atoms in block 111
Block first atom: 1689
Blocpdb> 16 atoms in block 112
Block first atom: 1706
Blocpdb> 16 atoms in block 113
Block first atom: 1722
Blocpdb> 13 atoms in block 114
Block first atom: 1738
Blocpdb> 14 atoms in block 115
Block first atom: 1751
Blocpdb> 16 atoms in block 116
Block first atom: 1765
Blocpdb> 13 atoms in block 117
Block first atom: 1781
Blocpdb> 18 atoms in block 118
Block first atom: 1794
Blocpdb> 14 atoms in block 119
Block first atom: 1812
Blocpdb> 16 atoms in block 120
Block first atom: 1826
Blocpdb> 20 atoms in block 121
Block first atom: 1842
Blocpdb> 18 atoms in block 122
Block first atom: 1862
Blocpdb> 8 atoms in block 123
Block first atom: 1880
Blocpdb> 16 atoms in block 124
Block first atom: 1888
Blocpdb> 22 atoms in block 125
Block first atom: 1904
Blocpdb> 18 atoms in block 126
Block first atom: 1926
Blocpdb> 16 atoms in block 127
Block first atom: 1944
Blocpdb> 15 atoms in block 128
Block first atom: 1960
Blocpdb> 15 atoms in block 129
Block first atom: 1975
Blocpdb> 17 atoms in block 130
Block first atom: 1990
Blocpdb> 17 atoms in block 131
Block first atom: 2007
Blocpdb> 12 atoms in block 132
Block first atom: 2024
Blocpdb> 14 atoms in block 133
Block first atom: 2036
Blocpdb> 13 atoms in block 134
Block first atom: 2050
Blocpdb> 17 atoms in block 135
Block first atom: 2063
Blocpdb> 12 atoms in block 136
Block first atom: 2080
Blocpdb> 15 atoms in block 137
Block first atom: 2092
Blocpdb> 17 atoms in block 138
Block first atom: 2107
Blocpdb> 13 atoms in block 139
Block first atom: 2124
Blocpdb> 11 atoms in block 140
Block first atom: 2137
Blocpdb> 13 atoms in block 141
Block first atom: 2148
Blocpdb> 22 atoms in block 142
Block first atom: 2161
Blocpdb> 18 atoms in block 143
Block first atom: 2183
Blocpdb> 8 atoms in block 144
Block first atom: 2201
Blocpdb> 16 atoms in block 145
Block first atom: 2209
Blocpdb> 14 atoms in block 146
Block first atom: 2225
Blocpdb> 13 atoms in block 147
Block first atom: 2239
Blocpdb> 13 atoms in block 148
Block first atom: 2252
Blocpdb> 17 atoms in block 149
Block first atom: 2265
Blocpdb> 16 atoms in block 150
Block first atom: 2282
Blocpdb> 18 atoms in block 151
Block first atom: 2298
Blocpdb> 11 atoms in block 152
Block first atom: 2316
Blocpdb> 13 atoms in block 153
Block first atom: 2327
Blocpdb> 12 atoms in block 154
Block first atom: 2340
Blocpdb> 14 atoms in block 155
Block first atom: 2352
Blocpdb> 16 atoms in block 156
Block first atom: 2366
Blocpdb> 13 atoms in block 157
Block first atom: 2382
Blocpdb> 16 atoms in block 158
Block first atom: 2395
Blocpdb> 20 atoms in block 159
Block first atom: 2411
Blocpdb> 15 atoms in block 160
Block first atom: 2431
Blocpdb> 17 atoms in block 161
Block first atom: 2446
Blocpdb> 15 atoms in block 162
Block first atom: 2463
Blocpdb> 17 atoms in block 163
Block first atom: 2478
Blocpdb> 15 atoms in block 164
Block first atom: 2495
Blocpdb> 19 atoms in block 165
Block first atom: 2510
Blocpdb> 15 atoms in block 166
Block first atom: 2529
Blocpdb> 14 atoms in block 167
Block first atom: 2544
Blocpdb> 18 atoms in block 168
Block first atom: 2558
Blocpdb> 15 atoms in block 169
Block first atom: 2576
Blocpdb> 14 atoms in block 170
Block first atom: 2591
Blocpdb> 13 atoms in block 171
Block first atom: 2605
Blocpdb> 21 atoms in block 172
Block first atom: 2618
Blocpdb> 12 atoms in block 173
Block first atom: 2639
Blocpdb> 14 atoms in block 174
Block first atom: 2651
Blocpdb> 14 atoms in block 175
Block first atom: 2665
Blocpdb> 13 atoms in block 176
Block first atom: 2679
Blocpdb> 20 atoms in block 177
Block first atom: 2692
Blocpdb> 19 atoms in block 178
Block first atom: 2712
Blocpdb> 14 atoms in block 179
Block first atom: 2731
Blocpdb> 13 atoms in block 180
Block first atom: 2745
Blocpdb> 12 atoms in block 181
Block first atom: 2758
Blocpdb> 12 atoms in block 182
Block first atom: 2770
Blocpdb> 14 atoms in block 183
Block first atom: 2782
Blocpdb> 16 atoms in block 184
Block first atom: 2796
Blocpdb> 15 atoms in block 185
Block first atom: 2812
Blocpdb> 16 atoms in block 186
Block first atom: 2826
Blocpdb> 186 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 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> 931838 matrix lines read.
Prepmat> Matrix order = 8526
Prepmat> Matrix trace = 2032800.0000
Prepmat> Last element read: 8526 8526 119.4505
Prepmat> 17392 lines saved.
Prepmat> 15595 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: 2842
RTB> Total mass = 2842.0000
RTB> Number of atoms found in matrix: 2842
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 218378.0930
RTB> 61866 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 = 1116
Diagstd> Nb of non-zero elements: 61866
Diagstd> Projected matrix trace = 218378.0930
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 218378.0930
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 0.0038831 0.0117731 0.0175088 0.0450021
0.0547551 0.1044238 0.1255804 0.1704902 0.2280024
0.2616854 0.2828496 0.3493465 0.5584813 0.6243598
0.6969170 0.7982353 0.8726212 1.1303353 1.1388888
1.3265818 1.5019195 1.6253153 1.6708799 1.7480656
1.8339034 2.1374983 2.2820894 2.3777459 2.5355215
2.8213201 2.8617316 3.0115604 3.3657695 3.4872134
3.7307269 3.9194909 4.2565096 4.3017749 4.6147217
4.8639795 5.1087613 5.1807487 5.4585101 5.7797453
6.0106817 6.1459151 6.3784554 6.5021760 6.6554727
7.3607188 7.6815228 7.9889620 8.0757651 8.8076988
9.1273308 9.4129600 9.5168235 9.9213103 10.3268321
10.6906216 10.9014735 11.2974064 11.7937520 12.0690206
12.5885803 12.6783707 12.8498164 13.1796922 13.2746219
13.9433499 14.1946819 14.2495246 14.5033112 14.9027225
15.0513006 15.3178764 15.6260204 15.8422461 16.2165711
16.3641311 16.6520296 16.8557807 17.5925500 17.9143552
18.7115823 19.6140815 20.0745411 20.6079343 20.6913965
21.1644412 21.7490765 22.0275094 22.4780191 22.8932670
23.3985804 23.4316612 23.6555243 23.9681598 24.6002310
24.8526297
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034335 0.0034337 0.0034339 0.0034356
0.0034356 6.7668608 11.7825839 14.3688922 23.0362494
25.4101605 35.0909448 38.4818731 44.8378725 51.8519347
55.5501280 57.7528049 64.1835092 81.1520692 85.8050313
90.6537577 97.0198816 101.4397491 115.4513278 115.8873267
125.0726327 133.0817843 138.4407994 140.3679303 143.5734542
147.0562563 158.7625861 164.0444747 167.4472430 172.9135119
182.3985840 183.7002420 188.4477981 199.2220776 202.7844008
209.7451906 214.9859653 224.0382060 225.2263102 233.2749127
239.4920752 245.4443768 247.1676025 253.7069353 261.0655880
266.2300947 269.2083699 274.2540441 276.9010745 280.1461982
294.6153648 300.9670428 306.9307910 308.5937445 322.2749183
328.0704972 333.1642445 334.9972861 342.0422832 348.9625629
355.0559210 358.5402210 364.9931020 372.9248093 377.2517767
385.2863802 386.6580025 389.2635517 394.2284062 395.6456187
405.4887818 409.1269728 409.9165638 413.5507974 419.2065768
421.2911107 425.0055106 429.2590629 432.2188044 437.2952864
439.2803277 443.1276674 445.8304394 455.4698953 459.6167746
469.7324221 480.9271193 486.5394881 492.9609420 493.9581795
499.5726841 506.4256462 509.6569818 514.8423902 519.5761020
525.2789955 525.6501824 528.1552110 531.6338506 538.5981696
541.3541310
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2842
Rtb_to_modes> Number of blocs = 186
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9973E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.8831E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.1773E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.7509E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.5002E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.4755E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1044
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1256
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1705
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2280
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2617
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2828
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.3493
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5585
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6244
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6969
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7982
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8726
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.130
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.139
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.327
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.502
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.625
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.671
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.748
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.834
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.137
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.282
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.378
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.536
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.821
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.862
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.012
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.366
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.487
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.731
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.919
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.257
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.302
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.615
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.864
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.109
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.181
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.459
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 5.780
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.011
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.146
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.378
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.502
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 6.655
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 7.361
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 7.682
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.989
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.076
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 8.808
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 9.127
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 9.413
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 9.517
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 9.921
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 10.33
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 10.69
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 11.30
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 12.07
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 12.59
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 12.68
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 12.85
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 13.18
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 13.27
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 13.94
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 14.19
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 14.50
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 14.90
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 15.05
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 15.32
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 15.63
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 15.84
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 16.36
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 16.65
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 16.86
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 17.59
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 17.91
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 18.71
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 19.61
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 20.07
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 20.61
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.69
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 21.16
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 21.75
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 22.03
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 22.48
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 22.89
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 23.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 23.43
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 24.60
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 24.85
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99996 0.99999 1.00001 0.99999 1.00000
0.99999 0.99998 0.99997 1.00000 1.00003
1.00000 1.00002 0.99995 1.00001 0.99998
1.00000 0.99998 1.00004 0.99998 0.99995
0.99995 1.00002 0.99997 1.00002 1.00003
1.00002 0.99999 1.00000 0.99997 1.00000
1.00002 1.00001 1.00000 1.00004 1.00001
1.00003 1.00002 1.00000 0.99998 0.99999
1.00000 0.99996 1.00002 1.00000 0.99999
1.00000 0.99999 1.00005 1.00002 1.00001
0.99999 1.00001 1.00001 1.00004 1.00002
1.00002 1.00001 1.00001 1.00001 1.00001
1.00001 1.00001 1.00003 0.99999 1.00002
1.00001 1.00004 1.00000 0.99996 0.99998
1.00001 0.99995 1.00003 0.99999 1.00001
0.99998 1.00000 0.99999 1.00002 0.99999
1.00000 0.99998 1.00001 1.00001 1.00001
1.00002 1.00000 1.00001 1.00001 1.00000
1.00002 1.00001 0.99999 1.00001 1.00002
0.99998 1.00003 1.00001 0.99997 1.00004
0.99995 1.00002 1.00001 1.00000 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 51156 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99996 0.99999 1.00001 0.99999 1.00000
0.99999 0.99998 0.99997 1.00000 1.00003
1.00000 1.00002 0.99995 1.00001 0.99998
1.00000 0.99998 1.00004 0.99998 0.99995
0.99995 1.00002 0.99997 1.00002 1.00003
1.00002 0.99999 1.00000 0.99997 1.00000
1.00002 1.00001 1.00000 1.00004 1.00001
1.00003 1.00002 1.00000 0.99998 0.99999
1.00000 0.99996 1.00002 1.00000 0.99999
1.00000 0.99999 1.00005 1.00002 1.00001
0.99999 1.00001 1.00001 1.00004 1.00002
1.00002 1.00001 1.00001 1.00001 1.00001
1.00001 1.00001 1.00003 0.99999 1.00002
1.00001 1.00004 1.00000 0.99996 0.99998
1.00001 0.99995 1.00003 0.99999 1.00001
0.99998 1.00000 0.99999 1.00002 0.99999
1.00000 0.99998 1.00001 1.00001 1.00001
1.00002 1.00000 1.00001 1.00001 1.00000
1.00002 1.00001 0.99999 1.00001 1.00002
0.99998 1.00003 1.00001 0.99997 1.00004
0.99995 1.00002 1.00001 1.00000 1.00001
0.99999
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> 2403112111162831925.eigenfacs
Openam> file on opening on unit 10:
2403112111162831925.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403112111162831925.atom
Openam> file on opening on unit 11:
2403112111162831925.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 = 372
First residue number = 1
Last residue number = 372
Number of atoms found = 2842
Mean number per residue = 7.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9973E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8831E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1773E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7509E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5002E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.4755E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6244
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.282
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.109
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 5.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 6.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 7.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 7.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 8.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 9.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 10.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 10.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 12.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 13.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 21.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 21.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 22.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 22.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 22.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 23.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 23.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 24.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Bfactors> 106 vectors, 8526 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 : 0.003883
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= -0.526 for 372 C-alpha atoms.
Bfactors> = 2.559 +/- 7.87
Bfactors> = 78.073 +/- 25.64
Bfactors> Shiftng-fct= 75.514
Bfactors> Scaling-fct= 3.259
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403112111162831925 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=0
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=100
2403112111162831925.eigenfacs
2403112111162831925.atom
making animated gifs
11 models are in 2403112111162831925.7.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 2403112111162831925.7.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 2403112111162831925.7.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 2403112111162831925 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=0
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=100
2403112111162831925.eigenfacs
2403112111162831925.atom
making animated gifs
11 models are in 2403112111162831925.8.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 2403112111162831925.8.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 2403112111162831925.8.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 2403112111162831925 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=0
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=100
2403112111162831925.eigenfacs
2403112111162831925.atom
making animated gifs
11 models are in 2403112111162831925.9.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 2403112111162831925.9.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 2403112111162831925.9.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 2403112111162831925 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=0
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=100
2403112111162831925.eigenfacs
2403112111162831925.atom
making animated gifs
11 models are in 2403112111162831925.10.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 2403112111162831925.10.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 2403112111162831925.10.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 2403112111162831925 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=-20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=0
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=20
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=40
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=60
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=80
2403112111162831925.eigenfacs
2403112111162831925.atom
calculating perturbed structure for DQ=100
2403112111162831925.eigenfacs
2403112111162831925.atom
making animated gifs
11 models are in 2403112111162831925.11.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 2403112111162831925.11.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 2403112111162831925.11.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
2403112111162831925.10.pdb
2403112111162831925.11.pdb
2403112111162831925.7.pdb
2403112111162831925.8.pdb
2403112111162831925.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m21.641s
user 0m21.584s
sys 0m0.044s
../../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: 2403112111162831925.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
|
