*** A11 ***
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 = 2404231439512079245.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 2404231439512079245.atom to be opened.
Openam> File opened: 2404231439512079245.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 = 263
First residue number = 1
Last residue number = 263
Number of atoms found = 3721
Mean number per residue = 14.1
Pdbmat> Coordinate statistics:
= -6.206127 +/- 9.697292 From: -27.906000 To: 17.093000
= -10.626020 +/- 8.991053 From: -33.438000 To: 12.684000
= 4.608599 +/- 9.958356 From: -18.068000 To: 27.481000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 6 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.6052 % Filled.
Pdbmat> 2869561 non-zero elements.
Pdbmat> 316422 atom-atom interactions.
Pdbmat> Number per atom= 170.07 +/- 49.64
Maximum number = 254
Minimum number = 42
Pdbmat> Matrix trace = 6.328440E+06
Pdbmat> Larger element = 894.144
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
263 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 = 2404231439512079245.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 2404231439512079245.atom to be opened.
Openam> file on opening on unit 11:
2404231439512079245.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3721 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> 263 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 18 atoms in block 2
Block first atom: 26
Blocpdb> 21 atoms in block 3
Block first atom: 44
Blocpdb> 33 atoms in block 4
Block first atom: 65
Blocpdb> 28 atoms in block 5
Block first atom: 98
Blocpdb> 26 atoms in block 6
Block first atom: 126
Blocpdb> 29 atoms in block 7
Block first atom: 152
Blocpdb> 19 atoms in block 8
Block first atom: 181
Blocpdb> 31 atoms in block 9
Block first atom: 200
Blocpdb> 36 atoms in block 10
Block first atom: 231
Blocpdb> 38 atoms in block 11
Block first atom: 267
Blocpdb> 34 atoms in block 12
Block first atom: 305
Blocpdb> 23 atoms in block 13
Block first atom: 339
Blocpdb> 31 atoms in block 14
Block first atom: 362
Blocpdb> 33 atoms in block 15
Block first atom: 393
Blocpdb> 18 atoms in block 16
Block first atom: 426
Blocpdb> 33 atoms in block 17
Block first atom: 444
Blocpdb> 20 atoms in block 18
Block first atom: 477
Blocpdb> 21 atoms in block 19
Block first atom: 497
Blocpdb> 30 atoms in block 20
Block first atom: 518
Blocpdb> 30 atoms in block 21
Block first atom: 548
Blocpdb> 28 atoms in block 22
Block first atom: 578
Blocpdb> 24 atoms in block 23
Block first atom: 606
Blocpdb> 36 atoms in block 24
Block first atom: 630
Blocpdb> 39 atoms in block 25
Block first atom: 666
Blocpdb> 41 atoms in block 26
Block first atom: 705
Blocpdb> 33 atoms in block 27
Block first atom: 746
Blocpdb> 27 atoms in block 28
Block first atom: 779
Blocpdb> 27 atoms in block 29
Block first atom: 806
Blocpdb> 24 atoms in block 30
Block first atom: 833
Blocpdb> 21 atoms in block 31
Block first atom: 857
Blocpdb> 21 atoms in block 32
Block first atom: 878
Blocpdb> 24 atoms in block 33
Block first atom: 899
Blocpdb> 21 atoms in block 34
Block first atom: 923
Blocpdb> 35 atoms in block 35
Block first atom: 944
Blocpdb> 37 atoms in block 36
Block first atom: 979
Blocpdb> 38 atoms in block 37
Block first atom: 1016
Blocpdb> 38 atoms in block 38
Block first atom: 1054
Blocpdb> 25 atoms in block 39
Block first atom: 1092
Blocpdb> 24 atoms in block 40
Block first atom: 1117
Blocpdb> 34 atoms in block 41
Block first atom: 1141
Blocpdb> 28 atoms in block 42
Block first atom: 1175
Blocpdb> 28 atoms in block 43
Block first atom: 1203
Blocpdb> 21 atoms in block 44
Block first atom: 1231
Blocpdb> 17 atoms in block 45
Block first atom: 1252
Blocpdb> 21 atoms in block 46
Block first atom: 1269
Blocpdb> 19 atoms in block 47
Block first atom: 1290
Blocpdb> 28 atoms in block 48
Block first atom: 1309
Blocpdb> 28 atoms in block 49
Block first atom: 1337
Blocpdb> 31 atoms in block 50
Block first atom: 1365
Blocpdb> 18 atoms in block 51
Block first atom: 1396
Blocpdb> 25 atoms in block 52
Block first atom: 1414
Blocpdb> 38 atoms in block 53
Block first atom: 1439
Blocpdb> 24 atoms in block 54
Block first atom: 1477
Blocpdb> 31 atoms in block 55
Block first atom: 1501
Blocpdb> 25 atoms in block 56
Block first atom: 1532
Blocpdb> 32 atoms in block 57
Block first atom: 1557
Blocpdb> 33 atoms in block 58
Block first atom: 1589
Blocpdb> 34 atoms in block 59
Block first atom: 1622
Blocpdb> 33 atoms in block 60
Block first atom: 1656
Blocpdb> 24 atoms in block 61
Block first atom: 1689
Blocpdb> 24 atoms in block 62
Block first atom: 1713
Blocpdb> 24 atoms in block 63
Block first atom: 1737
Blocpdb> 34 atoms in block 64
Block first atom: 1761
Blocpdb> 39 atoms in block 65
Block first atom: 1795
Blocpdb> 34 atoms in block 66
Block first atom: 1834
Blocpdb> 31 atoms in block 67
Block first atom: 1868
Blocpdb> 36 atoms in block 68
Block first atom: 1899
Blocpdb> 36 atoms in block 69
Block first atom: 1935
Blocpdb> 31 atoms in block 70
Block first atom: 1971
Blocpdb> 35 atoms in block 71
Block first atom: 2002
Blocpdb> 17 atoms in block 72
Block first atom: 2037
Blocpdb> 29 atoms in block 73
Block first atom: 2054
Blocpdb> 36 atoms in block 74
Block first atom: 2083
Blocpdb> 31 atoms in block 75
Block first atom: 2119
Blocpdb> 30 atoms in block 76
Block first atom: 2150
Blocpdb> 25 atoms in block 77
Block first atom: 2180
Blocpdb> 46 atoms in block 78
Block first atom: 2205
Blocpdb> 30 atoms in block 79
Block first atom: 2251
Blocpdb> 25 atoms in block 80
Block first atom: 2281
Blocpdb> 25 atoms in block 81
Block first atom: 2306
Blocpdb> 28 atoms in block 82
Block first atom: 2331
Blocpdb> 31 atoms in block 83
Block first atom: 2359
Blocpdb> 26 atoms in block 84
Block first atom: 2390
Blocpdb> 31 atoms in block 85
Block first atom: 2416
Blocpdb> 14 atoms in block 86
Block first atom: 2447
Blocpdb> 17 atoms in block 87
Block first atom: 2461
Blocpdb> 28 atoms in block 88
Block first atom: 2478
Blocpdb> 36 atoms in block 89
Block first atom: 2506
Blocpdb> 30 atoms in block 90
Block first atom: 2542
Blocpdb> 41 atoms in block 91
Block first atom: 2572
Blocpdb> 31 atoms in block 92
Block first atom: 2613
Blocpdb> 18 atoms in block 93
Block first atom: 2644
Blocpdb> 23 atoms in block 94
Block first atom: 2662
Blocpdb> 29 atoms in block 95
Block first atom: 2685
Blocpdb> 21 atoms in block 96
Block first atom: 2714
Blocpdb> 22 atoms in block 97
Block first atom: 2735
Blocpdb> 18 atoms in block 98
Block first atom: 2757
Blocpdb> 33 atoms in block 99
Block first atom: 2775
Blocpdb> 32 atoms in block 100
Block first atom: 2808
Blocpdb> 29 atoms in block 101
Block first atom: 2840
Blocpdb> 46 atoms in block 102
Block first atom: 2869
Blocpdb> 35 atoms in block 103
Block first atom: 2915
Blocpdb> 24 atoms in block 104
Block first atom: 2950
Blocpdb> 36 atoms in block 105
Block first atom: 2974
Blocpdb> 14 atoms in block 106
Block first atom: 3010
Blocpdb> 25 atoms in block 107
Block first atom: 3024
Blocpdb> 21 atoms in block 108
Block first atom: 3049
Blocpdb> 21 atoms in block 109
Block first atom: 3070
Blocpdb> 21 atoms in block 110
Block first atom: 3091
Blocpdb> 28 atoms in block 111
Block first atom: 3112
Blocpdb> 35 atoms in block 112
Block first atom: 3140
Blocpdb> 29 atoms in block 113
Block first atom: 3175
Blocpdb> 28 atoms in block 114
Block first atom: 3204
Blocpdb> 40 atoms in block 115
Block first atom: 3232
Blocpdb> 34 atoms in block 116
Block first atom: 3272
Blocpdb> 35 atoms in block 117
Block first atom: 3306
Blocpdb> 21 atoms in block 118
Block first atom: 3341
Blocpdb> 14 atoms in block 119
Block first atom: 3362
Blocpdb> 20 atoms in block 120
Block first atom: 3376
Blocpdb> 21 atoms in block 121
Block first atom: 3396
Blocpdb> 43 atoms in block 122
Block first atom: 3417
Blocpdb> 23 atoms in block 123
Block first atom: 3460
Blocpdb> 43 atoms in block 124
Block first atom: 3483
Blocpdb> 26 atoms in block 125
Block first atom: 3526
Blocpdb> 21 atoms in block 126
Block first atom: 3552
Blocpdb> 21 atoms in block 127
Block first atom: 3573
Blocpdb> 27 atoms in block 128
Block first atom: 3594
Blocpdb> 39 atoms in block 129
Block first atom: 3621
Blocpdb> 19 atoms in block 130
Block first atom: 3660
Blocpdb> 31 atoms in block 131
Block first atom: 3679
Blocpdb> 12 atoms in block 132
Block first atom: 3709
Blocpdb> 132 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 12 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> 2869693 matrix lines read.
Prepmat> Matrix order = 11163
Prepmat> Matrix trace = 6328440.0000
Prepmat> Last element read: 11163 11163 244.2931
Prepmat> 8779 lines saved.
Prepmat> 6987 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: 3721
RTB> Total mass = 3721.0000
RTB> Number of atoms found in matrix: 3721
RTB> Number of blocks = 132
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 379230.5736
RTB> 62496 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 = 792
Diagstd> Nb of non-zero elements: 62496
Diagstd> Projected matrix trace = 379230.5736
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 792 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 379230.5736
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 16.7953012 18.4121974 25.5538990 31.2304161
34.5809985 37.6362350 41.5790814 42.2129491 44.5964854
45.8109570 47.5905132 47.8695573 52.7101354 54.9539740
58.2969123 61.1484955 61.6020281 65.0632795 67.0130518
70.1485745 72.8122506 72.9476587 75.2472611 75.3533442
84.5548276 88.2563206 89.4118498 93.0748288 94.0112066
98.7292034 100.3618976 101.2921133 103.2445753 104.8423356
106.4459932 109.4431317 111.9460808 113.7744680 114.7610523
118.2603814 119.0766498 120.0696212 122.9459215 124.6508711
126.6358773 129.4189645 129.5836247 131.3959761 133.0256376
133.8272871 136.4488600 137.3750094 138.2374953 138.9071121
140.6765790 142.6715660 144.9613987 146.7213553 148.4635175
148.6737900 150.2937239 154.1066770 157.4410452 158.5061215
159.1929051 162.1055462 163.2020989 165.4377494 166.8763572
167.5180279 168.3144544 170.4332976 173.2924277 174.9427770
176.5752071 177.2232374 180.2161756 182.6432347 184.1018690
186.5410343 188.0906997 190.7899955 191.3682838 193.2597144
195.0536649 196.6368172 197.2218765 197.7644255 198.9459145
201.3969290 204.1378670 205.3369232 206.6634190 207.0579127
209.4833862 210.7401481 211.3910363 214.0429818 214.3651435
215.6978148
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034316 0.0034317 0.0034318 0.0034333
0.0034353 445.0298875 465.9594157 548.9387220 606.8539258
638.5781361 666.1903940 700.2171210 705.5342921 725.1796313
734.9875161 749.1270413 751.3200620 788.3922493 804.9980573
829.1212704 849.1573408 852.3005833 875.9176049 888.9451782
909.5041924 926.6111201 927.4723239 941.9777156 942.6414784
998.5377414 1020.1597604 1026.8164560 1047.6383872 1052.8950738
1078.9916821 1087.8767932 1092.9067199 1103.3896382 1111.8946072
1120.3660483 1136.0293090 1148.9462901 1158.2910136 1163.3021781
1180.9048819 1184.9733518 1189.9037975 1204.0716844 1212.3916570
1222.0069110 1235.3620069 1236.1476348 1244.7619748 1252.4573762
1256.2255363 1268.4701043 1272.7677074 1276.7568850 1279.8454283
1287.9712816 1297.0717315 1307.4390907 1315.3518663 1323.1380330
1324.0746980 1331.2686439 1348.0500232 1362.5556920 1367.1567151
1370.1153578 1382.5925651 1387.2609140 1396.7304039 1402.7900786
1405.4844859 1408.8215530 1417.6613646 1429.5030068 1436.2938084
1442.9794376 1445.6248767 1457.7805950 1467.5640865 1473.4125985
1483.1411015 1489.2888612 1499.9372102 1502.2086601 1509.6141119
1516.6044907 1522.7468097 1525.0104638 1527.1066426 1531.6614886
1541.0676443 1551.5188866 1556.0688372 1561.0869212 1562.5761673
1571.7015193 1576.4090546 1578.8416121 1588.7141969 1589.9093550
1594.8437948
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3721
Rtb_to_modes> Number of blocs = 132
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: 9.9860E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9864E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9871E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9874E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9960E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 16.80
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 18.41
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 25.55
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 31.23
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 37.64
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 41.58
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 42.21
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 44.60
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 45.81
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 47.59
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 47.87
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 52.71
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 54.95
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 58.30
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 61.15
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 61.60
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 65.06
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 67.01
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 70.15
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 72.81
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 72.95
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 75.25
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 75.35
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 84.55
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 88.26
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 89.41
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 93.07
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 94.01
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 98.73
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 100.4
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 101.3
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 103.2
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 104.8
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 106.4
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 109.4
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 111.9
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 114.8
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 118.3
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 120.1
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 122.9
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 124.7
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 126.6
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 129.4
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 129.6
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 131.4
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 133.0
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 133.8
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 136.4
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 137.4
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 138.2
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 138.9
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 140.7
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 142.7
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 145.0
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 146.7
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 148.5
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 148.7
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 150.3
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 154.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 157.4
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 158.5
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 159.2
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 162.1
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 163.2
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 165.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 166.9
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 167.5
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 168.3
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 170.4
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 173.3
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 174.9
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 176.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 177.2
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 180.2
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 182.6
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 184.1
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 186.5
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 188.1
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 190.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 191.4
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 193.3
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 195.1
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 196.6
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 197.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 197.8
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 198.9
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 201.4
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 204.1
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 205.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 206.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 207.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 209.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 210.7
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 211.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 214.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 214.4
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 215.7
Rtb_to_modes> 106 vectors, with 792 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00002 1.00000 0.99998 1.00000
1.00001 1.00000 1.00001 1.00001 0.99998
1.00002 1.00002 0.99999 1.00003 1.00000
1.00002 0.99999 0.99999 0.99998 1.00000
1.00003 1.00001 0.99998 1.00001 1.00000
0.99997 1.00001 0.99999 0.99999 0.99999
1.00003 1.00000 0.99999 0.99999 0.99998
0.99999 0.99999 1.00001 0.99998 1.00000
1.00001 0.99997 1.00001 0.99999 0.99999
1.00001 0.99998 0.99999 0.99999 0.99999
0.99999 1.00001 1.00000 0.99999 1.00002
1.00003 1.00000 0.99998 1.00001 1.00002
0.99999 1.00000 1.00000 1.00001 1.00003
1.00001 1.00001 1.00000 1.00001 1.00001
1.00001 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 1.00000 0.99996 1.00001
0.99998 1.00001 1.00001 1.00001 0.99998
1.00002 1.00002 1.00003 0.99998 1.00002
1.00000 1.00002 1.00000 0.99998 0.99998
0.99999 1.00002 1.00000 1.00002 0.99999
1.00001 0.99999 1.00000 1.00000 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 66978 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00002 1.00000 0.99998 1.00000
1.00001 1.00000 1.00001 1.00001 0.99998
1.00002 1.00002 0.99999 1.00003 1.00000
1.00002 0.99999 0.99999 0.99998 1.00000
1.00003 1.00001 0.99998 1.00001 1.00000
0.99997 1.00001 0.99999 0.99999 0.99999
1.00003 1.00000 0.99999 0.99999 0.99998
0.99999 0.99999 1.00001 0.99998 1.00000
1.00001 0.99997 1.00001 0.99999 0.99999
1.00001 0.99998 0.99999 0.99999 0.99999
0.99999 1.00001 1.00000 0.99999 1.00002
1.00003 1.00000 0.99998 1.00001 1.00002
0.99999 1.00000 1.00000 1.00001 1.00003
1.00001 1.00001 1.00000 1.00001 1.00001
1.00001 1.00001 0.99999 1.00001 0.99999
1.00000 1.00000 1.00000 0.99996 1.00001
0.99998 1.00001 1.00001 1.00001 0.99998
1.00002 1.00002 1.00003 0.99998 1.00002
1.00000 1.00002 1.00000 0.99998 0.99998
0.99999 1.00002 1.00000 1.00002 0.99999
1.00001 0.99999 1.00000 1.00000 0.99999
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> 2404231439512079245.eigenfacs
Openam> file on opening on unit 10:
2404231439512079245.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404231439512079245.atom
Openam> file on opening on unit 11:
2404231439512079245.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 = 263
First residue number = 1
Last residue number = 263
Number of atoms found = 3721
Mean number per residue = 14.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9860E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9864E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9871E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9960E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 16.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 18.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 25.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 31.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 37.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 41.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 42.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 44.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 45.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 47.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 47.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 52.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 54.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 58.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 61.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 61.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 65.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 67.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 70.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 72.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 72.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 75.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 75.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 84.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 88.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 89.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 93.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 94.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 98.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 100.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 101.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 104.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 106.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 109.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 111.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 114.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 120.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 122.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 124.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 126.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 129.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 129.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 131.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 133.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 133.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 136.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 137.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 138.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 138.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 140.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 145.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 146.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 148.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 148.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 150.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 154.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 157.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 158.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 159.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 162.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 163.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 165.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 166.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 167.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 168.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 170.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 173.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 174.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 176.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 177.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 180.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 182.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 184.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 186.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 188.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 190.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 191.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 193.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 195.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 196.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 197.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 197.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 198.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 201.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 204.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 205.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 206.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 207.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 209.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 210.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 211.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 214.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 214.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 215.7
Bfactors> 106 vectors, 11163 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 : 16.800000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.004 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.004
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404231439512079245 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=0
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=100
2404231439512079245.eigenfacs
2404231439512079245.atom
making animated gifs
11 models are in 2404231439512079245.7.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 2404231439512079245.7.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 2404231439512079245.7.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 2404231439512079245 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=0
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=100
2404231439512079245.eigenfacs
2404231439512079245.atom
making animated gifs
11 models are in 2404231439512079245.8.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 2404231439512079245.8.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 2404231439512079245.8.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 2404231439512079245 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=0
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=100
2404231439512079245.eigenfacs
2404231439512079245.atom
making animated gifs
11 models are in 2404231439512079245.9.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 2404231439512079245.9.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 2404231439512079245.9.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 2404231439512079245 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=0
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=100
2404231439512079245.eigenfacs
2404231439512079245.atom
making animated gifs
11 models are in 2404231439512079245.10.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 2404231439512079245.10.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 2404231439512079245.10.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 2404231439512079245 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=-20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=0
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=20
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=40
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=60
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=80
2404231439512079245.eigenfacs
2404231439512079245.atom
calculating perturbed structure for DQ=100
2404231439512079245.eigenfacs
2404231439512079245.atom
making animated gifs
11 models are in 2404231439512079245.11.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 2404231439512079245.11.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 2404231439512079245.11.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
2404231439512079245.10.pdb
2404231439512079245.11.pdb
2404231439512079245.7.pdb
2404231439512079245.8.pdb
2404231439512079245.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.130s
user 0m13.022s
sys 0m0.108s
../../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: 2404231439512079245.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.
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