*** noca_1 ***
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 = 2101080958571613.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 2101080958571613.atom to be opened.
Openam> File opened: 2101080958571613.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 = 186
First residue number = 2
Last residue number = 94
Number of atoms found = 186
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= -27.068817 +/- 10.709710 From: -51.460000 To: -4.520000
= -30.301344 +/- 9.651985 From: -48.880000 To: -9.240000
= 176.405538 +/- 7.384003 From: 158.810000 To: 195.600000
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 5.6662 % Filled.
Pdbmat> 8837 non-zero elements.
Pdbmat> 859 atom-atom interactions.
Pdbmat> Number per atom= 9.24 +/- 2.48
Maximum number = 15
Minimum number = 2
Pdbmat> Matrix trace = 17180.0
Pdbmat> Larger element = 72.4440
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
186 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 = 2101080958571613.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 2101080958571613.atom to be opened.
Openam> file on opening on unit 11:
2101080958571613.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 186 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> 186 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 2
%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 3
%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 5
%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 6
%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 8
%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 9
%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 11
%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 12
%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 14
%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 15
%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 17
%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 18
%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 20
%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 21
%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 23
%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 24
%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 26
%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 27
%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 29
%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 30
%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 32
%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 33
%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 35
%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 36
%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 38
%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 39
%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 41
%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 42
%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 44
%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 45
%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 47
%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 48
%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 50
%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 51
%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 53
%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 54
%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 56
%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 57
%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 59
%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 60
%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 62
%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 63
%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 65
%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 66
%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 68
%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 69
%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 71
%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 72
%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 74
%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 75
%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 77
%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 78
%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 80
%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 81
%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 83
%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 84
%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 86
%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 87
%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 89
%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 90
%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 92
%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 93
%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 2
%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 3
%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 5
%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 6
%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 8
%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 9
%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 11
%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 12
%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 14
%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 15
%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 17
%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 18
%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 20
%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 21
%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 23
%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 24
%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 26
%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 27
%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 29
%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 30
%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 32
%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 33
%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 35
%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 36
%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 38
%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 39
%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 41
%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 42
%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 44
%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 45
%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 47
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 47 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 140th, in residue 48
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 47
Block first atom: 139
%Blocpdb-Wn> 1 atoms in block 48 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 142th, in residue 50
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 48 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 143th, in residue 51
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 48
Block first atom: 142
%Blocpdb-Wn> 1 atoms in block 49 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 145th, in residue 53
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 49 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 146th, in residue 54
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 49
Block first atom: 145
%Blocpdb-Wn> 1 atoms in block 50 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 148th, in residue 56
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 50 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 149th, in residue 57
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 50
Block first atom: 148
%Blocpdb-Wn> 1 atoms in block 51 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 151th, in residue 59
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 51 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 152th, in residue 60
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 51
Block first atom: 151
%Blocpdb-Wn> 1 atoms in block 52 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 154th, in residue 62
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 52 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 155th, in residue 63
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 52
Block first atom: 154
%Blocpdb-Wn> 1 atoms in block 53 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 157th, in residue 65
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 53 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 158th, in residue 66
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 53
Block first atom: 157
%Blocpdb-Wn> 1 atoms in block 54 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 160th, in residue 68
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 54 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 161th, in residue 69
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 54
Block first atom: 160
%Blocpdb-Wn> 1 atoms in block 55 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 163th, in residue 71
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 55 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 164th, in residue 72
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 55
Block first atom: 163
%Blocpdb-Wn> 1 atoms in block 56 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 166th, in residue 74
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 56 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 167th, in residue 75
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 56
Block first atom: 166
%Blocpdb-Wn> 1 atoms in block 57 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 169th, in residue 77
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 57 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 170th, in residue 78
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 57
Block first atom: 169
%Blocpdb-Wn> 1 atoms in block 58 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 172th, in residue 80
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 58 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 173th, in residue 81
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 58
Block first atom: 172
%Blocpdb-Wn> 1 atoms in block 59 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 175th, in residue 83
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 59 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 176th, in residue 84
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 59
Block first atom: 175
%Blocpdb-Wn> 1 atoms in block 60 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 178th, in residue 86
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 60 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 179th, in residue 87
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 60
Block first atom: 178
%Blocpdb-Wn> 1 atoms in block 61 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 181th, in residue 89
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 61 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 182th, in residue 90
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 61
Block first atom: 181
%Blocpdb-Wn> 1 atoms in block 62 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 184th, in residue 92
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 62
Block first atom: 183
Blocpdb> 62 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> 8899 matrix lines read.
Prepmat> Matrix order = 558
Prepmat> Matrix trace = 17180.0000
Prepmat> Last element read: 558 558 11.3900
Prepmat> 1954 lines saved.
Prepmat> 1687 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: 186
RTB> Total mass = 186.0000
RTB> Number of atoms found in matrix: 186
RTB> Number of blocks = 62
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 9710.5844
RTB> 8646 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 = 372
Diagstd> Nb of non-zero elements: 8646
Diagstd> Projected matrix trace = 9710.5844
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 372 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 9710.5844
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 7 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 0.0749032 0.1220970 0.1411668
0.1721358 0.1808140 0.1985430 0.2671319 0.3175346
0.3547601 0.3718192 0.4335835 0.4361970 0.5343788
0.5868295 0.6257860 0.6532178 0.6654446 0.7128447
0.7755754 0.8716651 0.9236855 0.9708717 1.0376000
1.0806490 1.1736563 1.2107652 1.2838188 1.3878292
1.4220109 1.4828580 1.5284485 1.6658304 1.7424878
1.8075761 1.8645514 1.9335922 2.0402926 2.1889631
2.2245852 2.3463034 2.4196387 2.4625118 2.5392759
2.5810953 2.6964395 2.7650920 2.9158596 3.0176863
3.1133043 3.2499436 3.3886546 3.5106269 3.6189164
3.6451148 3.8011325 4.0084227 4.1438799 4.2747137
4.5124454 4.5926795 4.6308610 4.8463480 4.9342729
4.9906740 5.1700052 5.2486184 5.3389925 5.4433925
5.6006241 5.6204871 5.7408057 5.9235982 6.0446013
6.3155491 6.4040249 6.5014925 6.5997989 6.6612580
6.8917837 6.9421467 6.9718963 7.2986265 7.4429532
7.5883481 7.7158947 7.8908110 8.1098415 8.1799804
8.3566578 8.4217058 8.5143958 8.6820211 8.8257280
8.8642594 9.0181815 9.3148829 9.3490959 9.6209327
9.7079627
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034338 0.0034339 0.0034340 0.0034340
0.0034340 0.0034340 29.7197776 37.9444006 40.8001258
45.0537486 46.1754743 48.3863234 56.1252358 61.1914585
64.6789101 66.2157310 71.5042203 71.7193943 79.3816109
83.1861925 85.9029748 87.7655891 88.5831747 91.6838283
95.6328932 101.3841605 104.3655904 106.9981329 110.6140406
112.8853552 117.6429085 119.4882608 123.0402349 127.9273187
129.4931364 132.2345848 134.2519774 140.1556695 143.3442083
145.9968810 148.2799586 151.0002690 155.1106092 160.6624943
161.9644882 166.3364247 168.9159054 170.4058273 173.0414830
174.4605751 178.3161246 180.5718605 185.4293974 188.6393636
191.6046609 195.7641624 199.8982239 203.4640182 206.5782303
207.3246247 211.7150750 217.4112609 221.0542453 224.5167747
230.6753872 232.7171298 233.6824795 239.0576116 241.2164183
242.5911093 246.9111890 248.7813263 250.9140239 253.3553661
256.9883826 257.4436943 260.1846700 264.2944708 266.9802345
272.8983048 274.8032011 276.8865207 278.9720099 280.2679305
285.0762914 286.1160200 286.7284180 293.3700998 296.2565249
299.1361515 301.6396491 305.0395147 309.2441296 310.5785169
313.9146540 315.1340366 316.8634865 319.9673748 322.6045964
323.3080432 326.1029790 331.4240186 332.0321116 336.8246519
338.3446629
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 186
Rtb_to_modes> Number of blocs = 62
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: 9.9963E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
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: 7.4903E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1221
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1412
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1721
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1808
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1985
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2671
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3175
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3548
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3718
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4336
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.4362
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5344
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.5868
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6258
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.6532
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.6654
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.7128
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.7756
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.8717
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.9237
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.9709
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.038
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.081
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.174
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.211
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.284
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.388
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.422
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.483
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.528
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.666
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.742
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.808
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.865
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.934
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.040
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.189
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.225
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.346
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.420
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 2.463
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 2.539
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 2.581
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 2.696
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 2.765
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 2.916
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.018
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 3.113
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 3.250
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 3.389
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 3.511
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 3.619
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 3.645
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 3.801
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.008
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 4.144
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 4.275
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 4.512
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 4.593
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 4.631
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 4.846
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 4.934
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 4.991
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 5.170
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 5.249
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 5.339
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 5.443
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 5.601
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 5.620
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 5.741
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 5.924
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 6.045
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 6.316
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 6.404
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 6.501
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 6.600
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 6.661
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 6.892
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 6.942
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 6.972
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 7.299
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 7.443
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 7.588
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 7.716
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 7.891
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.110
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.180
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 8.357
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 8.422
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 8.514
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 8.682
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 8.826
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 8.864
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 9.018
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 9.315
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 9.349
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 9.621
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 9.708
Rtb_to_modes> 106 vectors, with 372 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00005 1.00000 1.00001 0.99999 0.99998
1.00001 1.00001 1.00005 0.99998 1.00000
0.99999 1.00000 0.99999 1.00004 0.99998
1.00001 0.99999 1.00000 0.99999 1.00000
0.99998 0.99998 1.00003 1.00002 1.00001
0.99999 0.99998 1.00000 1.00002 1.00003
0.99998 1.00002 0.99999 1.00001 1.00000
1.00000 1.00001 1.00001 1.00001 1.00001
1.00000 0.99997 0.99995 1.00003 1.00000
0.99998 1.00000 1.00002 0.99999 0.99998
1.00003 1.00003 0.99998 1.00002 0.99999
0.99996 1.00003 0.99997 1.00000 1.00000
0.99999 1.00001 1.00002 0.99997 0.99997
1.00004 1.00001 0.99998 1.00003 0.99999
1.00002 1.00002 1.00002 1.00000 1.00000
0.99997 1.00000 0.99999 0.99996 1.00000
0.99998 0.99998 1.00001 1.00004 0.99998
0.99998 0.99999 1.00004 0.99998 1.00000
0.99998 0.99997 1.00002 1.00003 0.99999
0.99997 1.00000 1.00003 1.00000 1.00003
1.00000 0.99998 0.99998 0.99999 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 3348 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00005 1.00000 1.00001 0.99999 0.99998
1.00001 1.00001 1.00005 0.99998 1.00000
0.99999 1.00000 0.99999 1.00004 0.99998
1.00001 0.99999 1.00000 0.99999 1.00000
0.99998 0.99998 1.00003 1.00002 1.00001
0.99999 0.99998 1.00000 1.00002 1.00003
0.99998 1.00002 0.99999 1.00001 1.00000
1.00000 1.00001 1.00001 1.00001 1.00001
1.00000 0.99997 0.99995 1.00003 1.00000
0.99998 1.00000 1.00002 0.99999 0.99998
1.00003 1.00003 0.99998 1.00002 0.99999
0.99996 1.00003 0.99997 1.00000 1.00000
0.99999 1.00001 1.00002 0.99997 0.99997
1.00004 1.00001 0.99998 1.00003 0.99999
1.00002 1.00002 1.00002 1.00000 1.00000
0.99997 1.00000 0.99999 0.99996 1.00000
0.99998 0.99998 1.00001 1.00004 0.99998
0.99998 0.99999 1.00004 0.99998 1.00000
0.99998 0.99997 1.00002 1.00003 0.99999
0.99997 1.00000 1.00003 1.00000 1.00003
1.00000 0.99998 0.99998 0.99999 1.00000
1.00002
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> 2101080958571613.eigenfacs
Openam> file on opening on unit 10:
2101080958571613.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2101080958571613.atom
Openam> file on opening on unit 11:
2101080958571613.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 = 186
First residue number = 2
Last residue number = 94
Number of atoms found = 186
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: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
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: 7.4903E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5344
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 4.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 4.275
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.631
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4.934
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 5.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 5.249
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 5.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 5.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 5.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 5.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 5.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 5.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 6.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 6.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 6.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 6.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 6.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 6.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 6.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 6.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 7.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 7.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 7.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 7.716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 7.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.110
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 8.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 8.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 8.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 8.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 8.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 8.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 9.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 9.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 9.708
Bfactors> 106 vectors, 558 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 7 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.074903
Bfactors> 99 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 8.335 +/- 12.50
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -8.335
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2101080958571613.eigenfacs
Openam> file on opening on unit 10:
2101080958571613.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-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: 29.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 37.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 40.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 45.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 46.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 48.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 61.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 64.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 66.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 71.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 71.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 79.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 83.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 85.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 87.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 88.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 91.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 95.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 104.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 107.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 110.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 119.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 123.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 127.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 129.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 132.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 134.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 140.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 143.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 146.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 155.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 160.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 162.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 166.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 168.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 170.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 173.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 174.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 178.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 180.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 185.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 188.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 191.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 195.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 199.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 203.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 206.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 207.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 211.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 217.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 221.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 224.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 230.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 232.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 233.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 239.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 241.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 242.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 246.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 248.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 250.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 253.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 257.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 257.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 260.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 264.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 267.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 272.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 274.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 276.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 279.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 280.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 285.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 286.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 286.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 293.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 296.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 299.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 301.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 305.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 309.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 310.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 313.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 315.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 316.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 320.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 322.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 323.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 326.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 331.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 332.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 336.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 338.3
Chkmod> 106 vectors, 558 coordinates in file.
Chkmod> That is: 186 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 8 is: 1.0002 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 29 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 66 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 83 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.0063
0.0034 0.7771
0.0034 0.9320
0.0034 0.8946
0.0034 0.6925
0.0034 0.7338
0.0034 0.7590
29.7185 0.2218
37.9432 0.0699
40.8032 0.0595
45.0471 0.3062
46.1717 0.6404
48.3790 0.5197
56.1195 0.2950
61.1855 0.2688
64.6798 0.3127
66.2112 0.3155
71.5025 0.3125
71.7166 0.3468
79.3798 0.1506
83.1805 0.3577
85.9002 0.6034
87.7606 0.4579
88.5764 0.6540
91.6770 0.4235
95.6303 0.7301
101.3818 0.5017
104.3619 0.4574
106.9951 0.2655
110.6306 0.6202
112.8988 0.4477
117.6551 0.4474
119.4947 0.5843
123.0436 0.4596
127.9297 0.3650
129.4871 0.6141
132.2352 0.6155
134.2265 0.6098
140.1568 0.5157
143.3180 0.5801
146.0077 0.5447
148.2914 0.5846
151.0097 0.3570
155.0928 0.5178
160.6569 0.4473
161.9726 0.4011
166.3185 0.5924
168.9213 0.6003
170.4154 0.5229
173.0247 0.1469
174.4499 0.2926
178.2939 0.6225
180.5611 0.5361
185.4259 0.5536
188.6411 0.5405
191.5871 0.5818
195.7575 0.6774
199.8998 0.5700
203.4661 0.6116
206.5717 0.4959
207.3125 0.4789
211.7023 0.4038
217.3905 0.5975
221.0480 0.5358
224.5147 0.5619
230.6541 0.5103
232.7153 0.5067
233.6760 0.5971
239.0388 0.4834
241.1994 0.4102
242.5886 0.5254
246.9005 0.2726
248.7797 0.5549
250.9034 0.4522
253.3354 0.4347
256.9860 0.5794
257.4215 0.3928
260.1779 0.5484
264.2921 0.6794
266.9776 0.5757
272.8963 0.6393
274.7909 0.6636
276.8641 0.5747
278.9643 0.4456
280.2505 0.5388
285.0685 0.4559
286.1007 0.5418
286.7182 0.5705
293.3650 0.6173
296.2447 0.3810
299.1164 0.3086
301.6288 0.4829
305.0301 0.5519
309.2339 0.6370
310.5656 0.3176
313.9076 0.5113
315.1260 0.5384
316.8425 0.5415
319.9533 0.4309
322.5957 0.3427
323.2894 0.6598
326.0857 0.5607
331.4119 0.5543
332.0162 0.5359
336.8114 0.6370
338.3308 0.4868
getting mode 7
running: ../../bin/get_modes.sh 2101080958571613 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=0
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=100
2101080958571613.eigenfacs
2101080958571613.atom
making animated gifs
11 models are in 2101080958571613.7.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 2101080958571613.7.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 2101080958571613.7.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 2101080958571613 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=0
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=100
2101080958571613.eigenfacs
2101080958571613.atom
making animated gifs
11 models are in 2101080958571613.8.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 2101080958571613.8.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 2101080958571613.8.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 2101080958571613 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=0
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=100
2101080958571613.eigenfacs
2101080958571613.atom
making animated gifs
11 models are in 2101080958571613.9.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 2101080958571613.9.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 2101080958571613.9.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 2101080958571613 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=0
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=100
2101080958571613.eigenfacs
2101080958571613.atom
making animated gifs
11 models are in 2101080958571613.10.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 2101080958571613.10.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 2101080958571613.10.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 2101080958571613 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=-20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=0
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=20
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=40
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=60
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=80
2101080958571613.eigenfacs
2101080958571613.atom
calculating perturbed structure for DQ=100
2101080958571613.eigenfacs
2101080958571613.atom
making animated gifs
11 models are in 2101080958571613.11.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 2101080958571613.11.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 2101080958571613.11.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
2101080958571613.10.pdb
2101080958571613.11.pdb
2101080958571613.7.pdb
2101080958571613.8.pdb
2101080958571613.9.pdb
STDERR:
real 0m0.699s
user 0m0.696s
sys 0m0.000s
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
pstopnm: Writing ppmraw file
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.
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