*** gv ***
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 = 2606160723212297512.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 2606160723212297512.atom to be opened.
Openam> File opened: 2606160723212297512.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 = 127
First residue number = 1
Last residue number = 127
Number of atoms found = 127
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.297126 +/- 8.504927 From: -18.554000 To: 18.549000
= 0.144685 +/- 6.840977 From: -15.124000 To: 16.108000
= 0.399260 +/- 7.768204 From: -17.512000 To: 15.740000
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 8.8016 % Filled.
Pdbmat> 6405 non-zero elements.
Pdbmat> 627 atom-atom interactions.
Pdbmat> Number per atom= 9.87 +/- 2.94
Maximum number = 16
Minimum number = 4
Pdbmat> Matrix trace = 12540.0
Pdbmat> Larger element = 70.6579
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
127 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 = 2606160723212297512.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 2606160723212297512.atom to be opened.
Openam> file on opening on unit 11:
2606160723212297512.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 127 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> 127 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 76
%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 77
%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 79
%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 80
%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 82
%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 83
%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 85
%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 86
%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 88
%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 89
%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 91
%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 92
%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 94
%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 95
%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 97
%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 98
%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 100
%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 101
%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 103
%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 104
%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 106
%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 107
%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 109
%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 110
%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 112
%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 113
%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 115
%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 116
%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 118
%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 119
%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 121
%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 122
%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 124
%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 125
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 42
Block first atom: 123
Blocpdb> 42 blocks.
Blocpdb> At most, 4 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> 6447 matrix lines read.
Prepmat> Matrix order = 381
Prepmat> Matrix trace = 12540.0000
Prepmat> Last element read: 381 381 10.5615
Prepmat> 904 lines saved.
Prepmat> 724 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: 127
RTB> Total mass = 127.0000
RTB> Number of atoms found in matrix: 127
RTB> Number of blocks = 42
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 7022.6400
RTB> 5814 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 = 252
Diagstd> Nb of non-zero elements: 5814
Diagstd> Projected matrix trace = 7022.6400
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 252 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 7022.6400
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0649180 0.2560660 0.3784402 0.4531345
0.5481445 0.6010735 0.7175216 0.7987804 0.8973111
1.0853149 1.1509835 1.2116872 1.4566889 1.5899426
1.6453336 1.8828319 1.9602559 2.1070064 2.2460471
2.2952238 2.5576191 2.8586352 2.9767893 3.0410000
3.2371807 3.4641943 3.5831070 3.8277446 3.9817467
4.2692542 4.3969889 4.7055536 4.9038938 5.0705532
5.2468435 5.4624998 5.4977844 5.8647370 6.0316042
6.2628701 6.4637557 6.6082898 6.7701730 6.8310229
6.9682588 7.1195092 7.4878784 7.5582848 7.7677653
7.9626624 8.1999169 8.5786633 8.7764333 8.8283674
9.2655761 9.4246379 9.4619204 9.6845489 9.8655619
10.0973662 10.3521428 10.5360007 10.6663930 10.7978244
11.1578247 11.3577007 11.4870832 11.8162159 11.9157737
12.2240462 12.4326124 12.6897066 12.8115886 12.8502058
13.0966522 13.3956993 13.7902790 13.9036242 14.1430020
14.6029638 14.7473474 14.9622338 15.1605891 15.2904581
15.7486497 15.9353598 15.9816325 16.2561711 16.4401599
16.8769822 16.9511672 17.2704002 17.5406174 18.0441961
18.1972074 18.4160136 18.5196176 18.8445970 19.0584371
19.4439804
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034334 0.0034339 0.0034339 0.0034339 0.0034340
0.0034340 27.6680077 54.9504491 66.8026869 73.0985663
80.3975497 84.1897202 91.9841022 97.0530026 102.8648036
113.1287968 116.5010485 119.5337490 131.0625714 136.9260259
139.2907447 149.0050725 152.0378307 157.6261296 162.7438951
164.5158688 173.6653658 183.6008334 187.3567419 189.3666477
195.3793922 202.1140028 205.5536396 212.4549011 216.6866185
224.3733578 227.7052083 235.5595098 240.4727169 244.5248225
248.7392592 253.7996386 254.6180188 262.9780810 266.6930495
271.7577776 276.0817806 279.1514075 282.5499028 283.8168335
286.6536110 289.7479078 297.1492726 298.5430088 302.6518474
306.4251664 310.9567631 318.0570968 321.7024062 322.6528310
330.5456869 333.3708466 334.0295787 337.9364045 341.0799522
345.0637463 349.3899494 352.4789413 354.6533539 356.8316843
362.7313127 365.9657902 368.0443570 373.2798010 374.8490408
379.6669312 382.8921628 386.8308216 388.6840981 389.2694498
392.9845055 397.4458577 403.2568989 404.9107342 408.3815202
414.9691251 417.0155371 420.0427553 422.8178551 424.6249703
430.9401328 433.4871393 434.1160572 437.8288858 440.2996074
446.1107379 447.0901314 451.2804098 454.7971329 461.2793886
463.2310395 466.0077017 467.3166853 471.3990545 474.0661239
478.8371831
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 127
Rtb_to_modes> Number of blocs = 42
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: 9.9970E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-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: 6.4918E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2561
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3784
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4531
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5481
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.6011
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.7175
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.7988
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.8973
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.085
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.151
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.212
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.457
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.590
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.645
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.883
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.960
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.107
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.246
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.295
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.558
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.859
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.977
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.041
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.237
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.464
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.583
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.828
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.982
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.269
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 4.397
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.706
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.904
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.071
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.247
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 5.462
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 5.498
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 5.865
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.032
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 6.263
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 6.464
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.608
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.770
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.831
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.968
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.120
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 7.488
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.558
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 7.768
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 7.963
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 8.200
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 8.579
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.776
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 8.828
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 9.266
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 9.425
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 9.462
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 9.685
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 9.866
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 10.10
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 10.35
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 10.54
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 10.80
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 11.36
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 11.49
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 11.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 12.22
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 12.69
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 12.81
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 12.85
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 13.10
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 13.40
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 14.14
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 14.60
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 14.96
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 15.29
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 15.75
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 15.94
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 15.98
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 16.26
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 16.44
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 16.88
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 16.95
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 17.27
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 17.54
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 18.04
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 18.20
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 18.52
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 18.84
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 19.44
Rtb_to_modes> 106 vectors, with 252 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 1.00001 0.99993 0.99999 1.00001
0.99996 1.00001 0.99999 0.99999 1.00001
1.00003 0.99999 0.99998 0.99998 1.00001
1.00000 0.99998 1.00002 1.00003 0.99999
1.00004 0.99997 1.00002 1.00003 1.00000
1.00007 1.00002 0.99998 1.00002 0.99997
0.99998 1.00004 0.99999 1.00002 1.00000
1.00000 0.99997 1.00001 0.99998 0.99999
1.00001 1.00000 0.99999 1.00000 1.00001
1.00006 1.00000 1.00000 0.99999 1.00002
1.00001 1.00000 1.00006 1.00000 0.99999
1.00000 1.00001 1.00000 1.00006 0.99998
1.00001 1.00004 0.99999 0.99995 0.99996
1.00001 1.00000 1.00002 0.99999 1.00001
0.99999 0.99997 0.99999 1.00001 0.99999
1.00002 1.00002 1.00002 1.00001 1.00001
1.00001 1.00001 1.00003 1.00000 0.99999
1.00001 0.99998 1.00002 1.00002 0.99998
0.99999 0.99999 1.00001 0.99998 1.00000
0.99999 1.00001 1.00002 0.99998 1.00002
1.00005 1.00001 1.00000 1.00000 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 2286 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 1.00001 0.99993 0.99999 1.00001
0.99996 1.00001 0.99999 0.99999 1.00001
1.00003 0.99999 0.99998 0.99998 1.00001
1.00000 0.99998 1.00002 1.00003 0.99999
1.00004 0.99997 1.00002 1.00003 1.00000
1.00007 1.00002 0.99998 1.00002 0.99997
0.99998 1.00004 0.99999 1.00002 1.00000
1.00000 0.99997 1.00001 0.99998 0.99999
1.00001 1.00000 0.99999 1.00000 1.00001
1.00006 1.00000 1.00000 0.99999 1.00002
1.00001 1.00000 1.00006 1.00000 0.99999
1.00000 1.00001 1.00000 1.00006 0.99998
1.00001 1.00004 0.99999 0.99995 0.99996
1.00001 1.00000 1.00002 0.99999 1.00001
0.99999 0.99997 0.99999 1.00001 0.99999
1.00002 1.00002 1.00002 1.00001 1.00001
1.00001 1.00001 1.00003 1.00000 0.99999
1.00001 0.99998 1.00002 1.00002 0.99998
0.99999 0.99999 1.00001 0.99998 1.00000
0.99999 1.00001 1.00002 0.99998 1.00002
1.00005 1.00001 1.00000 1.00000 1.00000
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> 2606160723212297512.eigenfacs
Openam> file on opening on unit 10:
2606160723212297512.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2606160723212297512.atom
Openam> file on opening on unit 11:
2606160723212297512.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 = 127
First residue number = 1
Last residue number = 127
Number of atoms found = 127
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: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-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: 6.4918E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7988
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.457
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.859
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.982
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 4.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.706
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 5.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 5.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 5.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 6.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 6.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.770
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.831
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 7.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 7.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 7.963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 8.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 8.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 8.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 9.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 9.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 10.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 10.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 10.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 10.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 11.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 11.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 12.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 12.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 12.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 12.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 13.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 13.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 14.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 14.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 15.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 16.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 16.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 16.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 16.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 17.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 18.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 18.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Bfactors> 106 vectors, 381 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.064918
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.777 for 127 C-alpha atoms.
Bfactors> = 5.940 +/- 10.64
Bfactors> = 0.872 +/- 0.09
Bfactors> Shiftng-fct= -5.068
Bfactors> Scaling-fct= 0.009
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2606160723212297512.eigenfacs
Openam> file on opening on unit 10:
2606160723212297512.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4333E-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: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 54.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 73.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 80.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 84.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 91.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 97.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 102.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 113.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 116.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 119.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 136.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 139.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 149.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 152.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 157.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 162.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 164.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 173.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 183.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 187.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 189.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 195.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 202.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 205.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 212.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 216.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 224.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 227.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 235.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 240.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 244.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 248.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 253.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 254.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 263.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 266.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 271.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 276.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 279.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 282.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 283.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 286.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 289.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 297.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 298.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 302.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 306.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 310.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 318.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 321.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 322.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 330.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 333.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 334.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 337.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 341.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 345.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 349.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 352.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 354.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 356.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 362.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 366.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 368.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 373.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 374.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 379.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 382.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 386.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 388.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 389.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 393.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 397.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 403.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 404.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 408.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 414.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 417.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 420.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 422.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 424.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 430.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 433.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 434.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 437.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 440.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 446.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 447.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 451.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 454.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 461.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 463.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 466.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 467.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 471.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 474.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 478.8
Chkmod> 106 vectors, 381 coordinates in file.
Chkmod> That is: 127 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 1 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 3 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 18 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 25 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 26 is: 1.0002 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 46 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 53 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 64 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 65 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 101 is: 1.0002 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7495
0.0034 0.7736
0.0034 0.9532
0.0034 0.7468
0.0034 0.8128
0.0034 0.8667
27.6668 0.0875
54.9517 0.3707
66.7963 0.3913
73.0926 0.2289
80.3908 0.1674
84.1880 0.2085
91.9788 0.4497
97.0500 0.3892
102.8598 0.5997
113.1075 0.5405
116.4969 0.5807
119.5440 0.5937
131.0709 0.6279
136.9226 0.5566
139.2706 0.5816
149.0053 0.5048
152.0214 0.4307
157.6191 0.3514
162.7352 0.4474
164.5008 0.5022
173.6708 0.3390
183.6047 0.5516
187.3553 0.6123
189.3585 0.5540
195.3656 0.3436
202.0997 0.3755
205.5417 0.5612
212.4529 0.5885
216.6842 0.5869
224.3570 0.6601
227.6957 0.3351
235.5606 0.5649
240.4650 0.5082
244.5251 0.4314
248.7323 0.5373
253.7771 0.3419
254.6121 0.4216
262.9727 0.3477
266.6904 0.6709
271.7489 0.4238
276.0751 0.4994
279.1333 0.5027
282.5342 0.5557
283.8042 0.5154
286.6360 0.5601
289.7455 0.6242
297.1389 0.6256
298.5246 0.6482
302.6434 0.5435
306.4185 0.5318
310.9450 0.6138
318.0497 0.5938
321.6807 0.4484
322.6323 0.4019
330.5391 0.5410
333.3629 0.5544
334.0166 0.5499
337.9298 0.5649
341.0729 0.5708
345.0939 0.5826
349.3388 0.5930
352.5307 0.5282
354.6981 0.6121
356.8523 0.4784
362.7511 0.4787
365.9871 0.5587
368.0753 0.5812
373.3235 0.4375
374.8994 0.4776
379.5878 0.5558
382.8355 0.5670
386.8187 0.5279
388.6433 0.5029
389.2496 0.5944
393.0179 0.5336
397.4926 0.4401
403.2355 0.6070
404.8406 0.5724
408.3206 0.4365
414.9092 0.5977
417.0351 0.5552
419.9934 0.5309
422.7915 0.6019
424.6004 0.6063
430.9401 0.2689
433.5316 0.6603
434.0753 0.5893
437.8616 0.5803
440.2786 0.5414
446.1315 0.5713
447.0555 0.5819
451.2558 0.6433
454.7696 0.5168
461.2060 0.6105
463.2467 0.4030
466.0381 0.4536
467.3014 0.5564
471.3213 0.4972
474.0652 0.6216
478.7676 0.4987
getting mode 7
running: ../../bin/get_modes.sh 2606160723212297512 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=0
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=100
2606160723212297512.eigenfacs
2606160723212297512.atom
making animated gifs
11 models are in 2606160723212297512.7.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 2606160723212297512.7.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 2606160723212297512.7.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 2606160723212297512 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=0
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=100
2606160723212297512.eigenfacs
2606160723212297512.atom
making animated gifs
11 models are in 2606160723212297512.8.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 2606160723212297512.8.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 2606160723212297512.8.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 2606160723212297512 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=0
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=100
2606160723212297512.eigenfacs
2606160723212297512.atom
making animated gifs
11 models are in 2606160723212297512.9.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 2606160723212297512.9.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 2606160723212297512.9.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 2606160723212297512 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=0
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=100
2606160723212297512.eigenfacs
2606160723212297512.atom
making animated gifs
11 models are in 2606160723212297512.10.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 2606160723212297512.10.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 2606160723212297512.10.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 2606160723212297512 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=-20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=0
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=20
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=40
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=60
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=80
2606160723212297512.eigenfacs
2606160723212297512.atom
calculating perturbed structure for DQ=100
2606160723212297512.eigenfacs
2606160723212297512.atom
making animated gifs
11 models are in 2606160723212297512.11.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 2606160723212297512.11.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 2606160723212297512.11.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
2606160723212297512.10.pdb
2606160723212297512.11.pdb
2606160723212297512.7.pdb
2606160723212297512.8.pdb
2606160723212297512.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m0.277s
user 0m0.262s
sys 0m0.015s
rm: cannot remove '2606160723212297512.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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