*** ***
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 = 2604241827362119090.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 2604241827362119090.atom to be opened.
Openam> File opened: 2604241827362119090.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 = 141
First residue number = 1
Last residue number = 147
Number of atoms found = 141
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 7.012837 +/- 7.500878 From: -7.413000 To: 22.970000
= 18.055142 +/- 10.573001 From: -2.735000 To: 38.582000
= 106.396986 +/- 9.002465 From: 85.814000 To: 124.910000
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 6.9249 % Filled.
Pdbmat> 6210 non-zero elements.
Pdbmat> 596 atom-atom interactions.
Pdbmat> Number per atom= 8.45 +/- 2.37
Maximum number = 13
Minimum number = 2
Pdbmat> Matrix trace = 11920.0
Pdbmat> Larger element = 66.3279
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
141 non-zero elements, NRBL set to 1
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 = 2604241827362119090.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2604241827362119090.atom to be opened.
Openam> file on opening on unit 11:
2604241827362119090.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 141 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 141 residues.
%Blocpdb-Wn> 1 atoms in block 1 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 1th, in residue A 1
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 1 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 2th, in residue A 2
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 1
Block first atom: 1
%Blocpdb-Wn> 1 atoms in block 2 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 4th, in residue A 4
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 2 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 5th, in residue A 5
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 2
Block first atom: 4
%Blocpdb-Wn> 1 atoms in block 3 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 7th, in residue A 7
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 3 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 8th, in residue A 8
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 3
Block first atom: 7
%Blocpdb-Wn> 1 atoms in block 4 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 10th, in residue A 10
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 4 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 11th, in residue A 11
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 4
Block first atom: 10
%Blocpdb-Wn> 1 atoms in block 5 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 13th, in residue A 13
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 5 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 14th, in residue A 14
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 5
Block first atom: 13
%Blocpdb-Wn> 1 atoms in block 6 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 16th, in residue A 16
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 6 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 17th, in residue A 17
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 6
Block first atom: 16
%Blocpdb-Wn> 1 atoms in block 7 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 19th, in residue A 19
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 7 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 20th, in residue A 20
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 7
Block first atom: 19
%Blocpdb-Wn> 1 atoms in block 8 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 22th, in residue A 22
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 8 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 23th, in residue A 23
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 8
Block first atom: 22
%Blocpdb-Wn> 1 atoms in block 9 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 25th, in residue A 25
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 9 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 26th, in residue A 26
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 9
Block first atom: 25
%Blocpdb-Wn> 1 atoms in block 10 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 28th, in residue A 28
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 10 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 29th, in residue A 29
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 10
Block first atom: 28
%Blocpdb-Wn> 1 atoms in block 11 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 31th, in residue A 31
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 11 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 32th, in residue A 32
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 11
Block first atom: 31
%Blocpdb-Wn> 1 atoms in block 12 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 34th, in residue A 34
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 12 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 35th, in residue A 35
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 12
Block first atom: 34
%Blocpdb-Wn> 1 atoms in block 13 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 37th, in residue A 37
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 13 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 38th, in residue A 38
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 13
Block first atom: 37
%Blocpdb-Wn> 1 atoms in block 14 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 40th, in residue A 40
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 14 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 41th, in residue A 41
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 14
Block first atom: 40
%Blocpdb-Wn> 1 atoms in block 15 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 43th, in residue A 43
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 15 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 44th, in residue A 44
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 15
Block first atom: 43
%Blocpdb-Wn> 1 atoms in block 16 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 46th, in residue A 46
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 16 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 47th, in residue A 47
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 16
Block first atom: 46
%Blocpdb-Wn> 1 atoms in block 17 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 49th, in residue A 49
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 17 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 50th, in residue A 50
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 17
Block first atom: 49
%Blocpdb-Wn> 1 atoms in block 18 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 52th, in residue A 52
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 18 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 53th, in residue A 53
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 18
Block first atom: 52
%Blocpdb-Wn> 1 atoms in block 19 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 55th, in residue A 55
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 19 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 56th, in residue A 56
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 19
Block first atom: 55
%Blocpdb-Wn> 1 atoms in block 20 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 58th, in residue A 58
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 20 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 59th, in residue A 59
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 20
Block first atom: 58
%Blocpdb-Wn> 1 atoms in block 21 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 61th, in residue A 61
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 21 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 62th, in residue A 62
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 21
Block first atom: 61
%Blocpdb-Wn> 1 atoms in block 22 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 64th, in residue A 64
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 22 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 65th, in residue A 65
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 22
Block first atom: 64
%Blocpdb-Wn> 1 atoms in block 23 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 67th, in residue A 67
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 23 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 68th, in residue A 68
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 23
Block first atom: 67
%Blocpdb-Wn> 1 atoms in block 24 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 70th, in residue A 70
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 24 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 71th, in residue A 71
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 24
Block first atom: 70
%Blocpdb-Wn> 1 atoms in block 25 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 73th, in residue A 73
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 25 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 74th, in residue A 74
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 25
Block first atom: 73
%Blocpdb-Wn> 1 atoms in block 26 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 76th, in residue A 82
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 26 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 77th, in residue A 83
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 26
Block first atom: 76
%Blocpdb-Wn> 1 atoms in block 27 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 79th, in residue A 85
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 27 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 80th, in residue A 86
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 27
Block first atom: 79
%Blocpdb-Wn> 1 atoms in block 28 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 82th, in residue A 88
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 28 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 83th, in residue A 89
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 28
Block first atom: 82
%Blocpdb-Wn> 1 atoms in block 29 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 85th, in residue A 91
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 29 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 86th, in residue A 92
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 29
Block first atom: 85
%Blocpdb-Wn> 1 atoms in block 30 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 88th, in residue A 94
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 30 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 89th, in residue A 95
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 30
Block first atom: 88
%Blocpdb-Wn> 1 atoms in block 31 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 91th, in residue A 97
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 31 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 92th, in residue A 98
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 31
Block first atom: 91
%Blocpdb-Wn> 1 atoms in block 32 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 94th, in residue A 100
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 32 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 95th, in residue A 101
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 32
Block first atom: 94
%Blocpdb-Wn> 1 atoms in block 33 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 97th, in residue A 103
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 33 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 98th, in residue A 104
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 33
Block first atom: 97
%Blocpdb-Wn> 1 atoms in block 34 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 100th, in residue A 106
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 34 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 101th, in residue A 107
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 34
Block first atom: 100
%Blocpdb-Wn> 1 atoms in block 35 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 103th, in residue A 109
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 35 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 104th, in residue A 110
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 35
Block first atom: 103
%Blocpdb-Wn> 1 atoms in block 36 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 106th, in residue A 112
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 36 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 107th, in residue A 113
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 36
Block first atom: 106
%Blocpdb-Wn> 1 atoms in block 37 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 109th, in residue A 115
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 37 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 110th, in residue A 116
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 37
Block first atom: 109
%Blocpdb-Wn> 1 atoms in block 38 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 112th, in residue A 118
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 38 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 113th, in residue A 119
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 38
Block first atom: 112
%Blocpdb-Wn> 1 atoms in block 39 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 115th, in residue A 121
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 39 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 116th, in residue A 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 39
Block first atom: 115
%Blocpdb-Wn> 1 atoms in block 40 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 118th, in residue A 124
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 40 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 119th, in residue A 125
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 40
Block first atom: 118
%Blocpdb-Wn> 1 atoms in block 41 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 121th, in residue A 127
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 41 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 122th, in residue A 128
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 41
Block first atom: 121
%Blocpdb-Wn> 1 atoms in block 42 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 124th, in residue A 130
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 42 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 125th, in residue A 131
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 42
Block first atom: 124
%Blocpdb-Wn> 1 atoms in block 43 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 127th, in residue A 133
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 43 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 128th, in residue A 134
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 43
Block first atom: 127
%Blocpdb-Wn> 1 atoms in block 44 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 130th, in residue A 136
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 44 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 131th, in residue A 137
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 44
Block first atom: 130
%Blocpdb-Wn> 1 atoms in block 45 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 133th, in residue A 139
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 45 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 134th, in residue A 140
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 45
Block first atom: 133
%Blocpdb-Wn> 1 atoms in block 46 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 136th, in residue A 142
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 46 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 137th, in residue A 143
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 46
Block first atom: 136
%Blocpdb-Wn> 1 atoms in block 47 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 139th, in residue A 145
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 47
Block first atom: 138
Blocpdb> 47 blocks.
Blocpdb> At most, 3 atoms in each of them.
Blocpdb> At least, 3 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> 6257 matrix lines read.
Prepmat> Matrix order = 423
Prepmat> Matrix trace = 11920.0000
Prepmat> Last element read: 423 423 27.1419
Prepmat> 1129 lines saved.
Prepmat> 944 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: 141
RTB> Total mass = 141.0000
RTB> Number of atoms found in matrix: 141
RTB> Number of blocks = 47
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 6644.0853
RTB> 5919 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 = 282
Diagstd> Nb of non-zero elements: 5919
Diagstd> Projected matrix trace = 6644.0853
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 282 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 6644.0853
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 9 zero-eigenvalues, that is, below or equal to: 0.0000000
%Diagstd-Wn> Six expected. Parts of the structure interact too little ?
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0000000 0.0000000 0.0033109
0.0195925 0.0490337 0.0558187 0.1029499 0.1314877
0.2273958 0.2659249 0.3164967 0.3461394 0.4977433
0.5905404 0.6491364 0.6828648 0.7878879 0.8614412
0.8951807 0.9573818 1.0212489 1.0339824 1.1964729
1.2515903 1.3793634 1.4314818 1.4697697 1.5227907
1.5969119 1.6368687 1.6983843 1.8963043 1.9288319
2.0682788 2.1147795 2.2773095 2.3958807 2.4651512
2.6000156 2.8319406 2.9844409 3.0191902 3.1660185
3.2926391 3.4390604 3.4703050 3.4854129 3.6357276
3.7666119 3.9872200 4.0907609 4.3635408 4.4835697
4.7383326 4.7996027 4.9162804 5.1778632 5.2261900
5.4006831 5.4878336 5.6061667 6.0632046 6.1214291
6.3917063 6.4918922 6.6874693 6.8132837 6.8658114
7.1038175 7.3266798 7.4074860 7.6905670 7.8728839
7.9958439 8.1004629 8.1961176 8.3254991 8.4438286
8.4967509 8.5814531 8.7093122 8.7337706 8.9488229
9.1006685 9.3590212 9.4424141 9.7225041 9.9165742
10.1949344 10.3427363 10.3997854 10.6638376 10.7321616
10.8651564 11.1300005 11.1436144 11.4606121 11.5246443
11.8017213
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034339 0.0034339 0.0034339 0.0034339 0.0034340
0.0034340 0.0034340 0.0034340 0.0034340 6.2484315
15.1998667 24.0459760 25.6557711 34.8424142 39.3765677
51.7829111 55.9982974 61.0913741 63.8882260 76.6122064
83.4487970 87.4909786 89.7351609 96.3890054 100.7878297
102.7426204 106.2521826 109.7390191 110.4210461 118.7809300
121.4860390 127.5365387 129.9236440 131.6497167 134.0032655
137.2257969 138.9319736 141.5185165 149.5372187 150.8142799
156.1707930 157.9166134 163.8725863 168.0845794 170.4971255
175.0988366 182.7415702 187.5973799 188.6863653 193.2199676
197.0458743 201.3794640 202.2921833 202.7320418 207.0574917
210.7515214 216.8354970 219.6328647 226.8374738 229.9361444
236.3785432 237.9019079 240.7762262 247.0987591 248.2492106
252.3594828 254.3874874 257.1155157 267.3907579 268.6715560
274.5387716 276.6820141 280.8188001 283.4480775 284.5386152
289.4284221 293.9333645 295.5498210 301.1441710 304.6928079
307.0629605 309.0652645 310.8847153 313.3288757 315.5476750
316.5349890 318.1088102 320.4698745 320.9195467 324.8465331
327.5909743 332.2083130 333.6850905 338.5979678 341.9606340
346.7268693 349.2311763 350.1930072 354.6108673 355.7450636
357.9425029 362.2787596 362.5002571 367.6200478 368.6455914
373.0507850
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 141
Rtb_to_modes> Number of blocs = 47
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: 9.9995E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.3109E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.9592E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.9034E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.5819E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1029
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1315
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2274
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2659
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.3165
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.3461
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.4977
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.5905
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6491
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.6829
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.7879
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.8614
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.8952
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.9574
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.021
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.034
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.196
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.252
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.379
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.431
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.470
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.523
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.597
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.637
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.698
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.896
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.929
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.068
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.115
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.277
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.396
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.465
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.600
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.832
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.984
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.019
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.166
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.293
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.439
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.470
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.485
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.636
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 3.767
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 3.987
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.091
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.364
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.484
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.738
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.800
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.916
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.178
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.226
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.401
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.488
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.606
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.063
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.121
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.392
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.492
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.687
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 6.813
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 6.866
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.104
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.327
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.407
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 7.691
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 7.873
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 7.996
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.100
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.196
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 8.325
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 8.444
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 8.497
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 8.581
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 8.709
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 8.734
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 8.949
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 9.101
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 9.359
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 9.442
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 9.723
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 9.917
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 10.66
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 10.87
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 11.13
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 11.14
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 11.46
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 11.52
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 11.80
Rtb_to_modes> 106 vectors, with 282 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 0.99999 1.00000 1.00000 1.00001
1.00001 0.99999 0.99998 1.00000 1.00000
1.00006 1.00001 0.99997 0.99997 1.00003
1.00002 1.00000 1.00002 1.00001 1.00000
1.00006 0.99997 0.99998 0.99993 1.00000
1.00002 0.99999 1.00002 1.00005 0.99998
0.99997 0.99999 0.99997 1.00000 1.00001
1.00000 1.00000 1.00003 1.00001 0.99999
1.00002 0.99999 0.99999 0.99998 1.00003
0.99999 0.99997 1.00000 0.99998 0.99998
1.00001 1.00001 0.99999 1.00004 1.00003
1.00001 0.99998 1.00001 0.99997 1.00000
0.99998 1.00001 1.00000 1.00002 1.00001
1.00000 1.00000 1.00000 1.00001 0.99997
0.99995 0.99998 1.00001 0.99996 1.00001
1.00005 1.00003 1.00000 0.99999 1.00000
0.99998 1.00000 0.99998 0.99998 1.00000
1.00004 1.00004 1.00000 1.00001 1.00002
1.00003 1.00001 1.00003 1.00000 0.99999
0.99999 1.00000 0.99998 0.99995 1.00002
1.00001 0.99999 1.00001 0.99998 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 2538 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 0.99999 1.00000 1.00000 1.00001
1.00001 0.99999 0.99998 1.00000 1.00000
1.00006 1.00001 0.99997 0.99997 1.00003
1.00002 1.00000 1.00002 1.00001 1.00000
1.00006 0.99997 0.99998 0.99993 1.00000
1.00002 0.99999 1.00002 1.00005 0.99998
0.99997 0.99999 0.99997 1.00000 1.00001
1.00000 1.00000 1.00003 1.00001 0.99999
1.00002 0.99999 0.99999 0.99998 1.00003
0.99999 0.99997 1.00000 0.99998 0.99998
1.00001 1.00001 0.99999 1.00004 1.00003
1.00001 0.99998 1.00001 0.99997 1.00000
0.99998 1.00001 1.00000 1.00002 1.00001
1.00000 1.00000 1.00000 1.00001 0.99997
0.99995 0.99998 1.00001 0.99996 1.00001
1.00005 1.00003 1.00000 0.99999 1.00000
0.99998 1.00000 0.99998 0.99998 1.00000
1.00004 1.00004 1.00000 1.00001 1.00002
1.00003 1.00001 1.00003 1.00000 0.99999
0.99999 1.00000 0.99998 0.99995 1.00002
1.00001 0.99999 1.00001 0.99998 0.99998
1.00001
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> 2604241827362119090.eigenfacs
Openam> file on opening on unit 10:
2604241827362119090.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604241827362119090.atom
Openam> file on opening on unit 11:
2604241827362119090.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 = 141
First residue number = 1
Last residue number = 147
Number of atoms found = 141
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-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: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.3109E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9592E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9034E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5819E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1029
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.379
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.896
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.800
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 6.813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 6.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 7.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 7.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 7.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 8.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 8.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 8.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 8.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 8.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 8.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 8.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 9.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 9.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 9.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 9.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 10.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 10.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 11.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 11.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Bfactors> 106 vectors, 423 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 9 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.003311
Bfactors> 97 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.475 for 141 C-alpha atoms.
Bfactors> = 50.224 +/- 45.49
Bfactors> = 17.440 +/- 5.14
Bfactors> Shiftng-fct= -32.783
Bfactors> Scaling-fct= 0.113
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604241827362119090.eigenfacs
Openam> file on opening on unit 10:
2604241827362119090.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 6.248
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 15.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 25.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 34.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 39.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 51.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 55.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 61.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 63.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 76.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 83.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 87.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 89.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 96.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 100.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 102.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 109.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 110.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 118.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 121.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 127.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 129.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 131.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 134.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 137.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 138.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 141.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 149.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 150.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 156.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 157.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 163.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 168.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 170.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 175.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 182.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 187.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 188.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 193.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 197.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 201.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 202.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 202.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 207.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 210.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 216.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 219.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 226.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 229.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 236.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 237.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 240.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 247.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 248.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 252.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 254.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 257.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 267.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 268.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 274.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 276.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 280.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 283.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 284.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 289.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 293.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 295.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 301.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 304.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 307.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 309.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 310.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 313.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 315.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 316.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 318.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 320.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 320.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 324.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 327.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 332.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 333.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 338.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 342.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 346.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 349.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 350.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 354.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 355.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 358.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 362.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 362.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 367.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 368.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 373.0
Chkmod> 106 vectors, 423 coordinates in file.
Chkmod> That is: 141 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 11 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 21 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 24 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 71 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 72 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 74 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 99 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 103 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7874
0.0034 0.5063
0.0034 0.0484
0.0034 0.9478
0.0034 0.5371
0.0034 0.2049
0.0034 0.0288
0.0034 0.6023
0.0034 0.7576
6.2481 0.6124
15.1990 0.6489
24.0450 0.4357
25.6547 0.6371
34.8325 0.6719
39.3767 0.2775
51.7812 0.4940
55.9933 0.6378
61.0891 0.5093
63.8818 0.5971
76.6056 0.2767
83.4424 0.3837
87.4848 0.3413
89.7336 0.0620
96.3856 0.3189
100.7811 0.4835
102.7393 0.5453
106.2486 0.1937
109.7209 0.5112
110.4172 0.3872
118.7524 0.5914
121.5007 0.4064
127.5143 0.5619
129.8962 0.4029
131.6544 0.3835
134.0067 0.6412
137.2237 0.5797
138.9316 0.3656
141.4964 0.3139
149.5188 0.3033
150.8144 0.5843
156.1536 0.4258
157.9181 0.4000
163.8544 0.5045
168.0815 0.4853
170.4846 0.5800
175.0908 0.3795
182.7356 0.5554
187.5755 0.2828
188.6723 0.5970
193.2111 0.5680
197.0482 0.5490
201.3691 0.4901
202.2746 0.3464
202.7113 0.3340
207.0564 0.6678
210.7533 0.5447
216.8202 0.7132
219.6299 0.3583
226.8397 0.6849
229.9373 0.7032
236.3601 0.6157
237.9015 0.5859
240.7590 0.4927
247.0914 0.6663
248.2340 0.5091
252.3561 0.5723
254.3804 0.5888
257.1007 0.4726
267.3748 0.5052
268.6506 0.5295
274.5333 0.5626
276.6724 0.5609
280.7969 0.5796
283.4300 0.4748
284.5303 0.5903
289.4197 0.5305
293.9272 0.5609
295.5274 0.4970
301.1397 0.6365
304.6820 0.5933
307.0528 0.5159
309.0432 0.3190
310.8691 0.5910
313.3060 0.5706
315.5373 0.4809
316.5260 0.5668
318.0868 0.5581
320.4504 0.3293
320.9100 0.5455
324.8358 0.6255
327.5829 0.5162
332.1937 0.3590
333.6634 0.6469
338.5921 0.5352
341.9533 0.5178
346.6281 0.3981
349.1700 0.2908
350.1816 0.4538
354.5318 0.3875
355.6940 0.2923
358.0069 0.4918
362.2632 0.5538
362.4259 0.5328
367.5944 0.3920
368.5555 0.4910
373.0076 0.3822
getting mode 7
running: ../../bin/get_modes.sh 2604241827362119090 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=0
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=100
2604241827362119090.eigenfacs
2604241827362119090.atom
making animated gifs
11 models are in 2604241827362119090.7.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 2604241827362119090.7.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 2604241827362119090.7.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 2604241827362119090 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=0
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=100
2604241827362119090.eigenfacs
2604241827362119090.atom
making animated gifs
11 models are in 2604241827362119090.8.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 2604241827362119090.8.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 2604241827362119090.8.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 2604241827362119090 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=0
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=100
2604241827362119090.eigenfacs
2604241827362119090.atom
making animated gifs
11 models are in 2604241827362119090.9.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 2604241827362119090.9.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 2604241827362119090.9.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 2604241827362119090 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=0
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=100
2604241827362119090.eigenfacs
2604241827362119090.atom
making animated gifs
11 models are in 2604241827362119090.10.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 2604241827362119090.10.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 2604241827362119090.10.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 2604241827362119090 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=-20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=0
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=20
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=40
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=60
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=80
2604241827362119090.eigenfacs
2604241827362119090.atom
calculating perturbed structure for DQ=100
2604241827362119090.eigenfacs
2604241827362119090.atom
making animated gifs
11 models are in 2604241827362119090.11.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 2604241827362119090.11.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 2604241827362119090.11.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
2604241827362119090.10.pdb
2604241827362119090.11.pdb
2604241827362119090.7.pdb
2604241827362119090.8.pdb
2604241827362119090.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m0.478s
user 0m0.467s
sys 0m0.010s
rm: cannot remove '2604241827362119090.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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