*** HIVp_CA ***
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 = 2602061614483035571.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 2602061614483035571.atom to be opened.
Openam> File opened: 2602061614483035571.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 = 198
First residue number = 1
Last residue number = 99
Number of atoms found = 207
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 20.199473 +/- 13.136737 From: -5.876000 To: 46.090000
= 27.805130 +/- 6.919881 From: 13.655000 To: 43.669000
= 18.383522 +/- 7.868236 From: 1.004000 To: 34.525000
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 5.7691 % Filled.
Pdbmat> 11142 non-zero elements.
Pdbmat> 1100 atom-atom interactions.
Pdbmat> Number per atom= 10.63 +/- 2.94
Maximum number = 17
Minimum number = 4
Pdbmat> Matrix trace = 22000.0
Pdbmat> Larger element = 72.4791
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
198 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 = 2602061614483035571.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 2602061614483035571.atom to be opened.
Openam> file on opening on unit 11:
2602061614483035571.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 207 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> 198 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> 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 19
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 7
Block first atom: 19
%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 21
%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 23
%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 24
%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 26
%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 27
%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 29
%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 30
%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 32
%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 33
%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 35
%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 36
%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 38
%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 39
%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 41
%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 42
%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 44
%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 45
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 16
Block first atom: 46
%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 47
%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 49
%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 50
%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 52
%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 53
%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 55
%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 56
%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 58
%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 59
%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 61
%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 62
%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 64
%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 65
%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 67
%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 68
%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 70
%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 71
%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 73
%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 74
%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 76
%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 77
%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 79
%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 80
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 28
Block first atom: 82
%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 82
%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 84
%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 85
%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 87
%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 88
%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 90
%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 91
%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 93
%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 94
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 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 101th, in residue A 96
%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 102th, in residue A 97
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 34
Block first atom: 101
%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 104th, in residue A 99
%Blocpdb-Wn> It is merged with the previous one.
Blocpdb> 4 atoms in block 34
%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 105th, in residue B 1
%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 106th, in residue B 2
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 35
Block first atom: 105
%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 108th, in residue B 4
%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 109th, in residue B 5
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 36
Block first atom: 108
%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 111th, in residue B 7
%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 112th, in residue B 8
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 37
Block first atom: 111
%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 114th, in residue B 10
%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 115th, in residue B 11
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 38
Block first atom: 114
%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 117th, in residue B 13
%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 118th, in residue B 14
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 39
Block first atom: 117
%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 120th, in residue B 16
%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 121th, in residue B 17
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 40
Block first atom: 120
%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 123th, in residue B 19
%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 124th, in residue B 20
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 41
Block first atom: 123
%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 126th, in residue B 22
%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 127th, in residue B 23
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 42
Block first atom: 126
%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 129th, in residue B 25
%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 130th, in residue B 26
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 43
Block first atom: 129
%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 132th, in residue B 28
%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 133th, in residue B 29
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 44
Block first atom: 132
%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 135th, in residue B 31
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 45
Block first atom: 135
%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 138th, in residue B 33
%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 139th, in residue B 34
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 46
Block first atom: 138
%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 141th, in residue B 36
%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 142th, in residue B 37
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 47
Block first atom: 141
%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 144th, in residue B 39
%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 145th, in residue B 40
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 48
Block first atom: 144
%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 147th, in residue B 42
%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 148th, in residue B 43
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 49
Block first atom: 147
%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 150th, in residue B 45
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 50
Block first atom: 150
%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 153th, in residue B 47
%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 154th, in residue B 48
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 51
Block first atom: 153
%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 156th, in residue B 50
%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 157th, in residue B 51
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 52
Block first atom: 156
%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 159th, in residue B 53
%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 160th, in residue B 54
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 53
Block first atom: 159
%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 162th, in residue B 56
%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 163th, in residue B 57
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 54
Block first atom: 162
%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 165th, in residue B 59
%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 166th, in residue B 60
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 55
Block first atom: 165
%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 168th, in residue B 62
%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 169th, in residue B 63
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 56
Block first atom: 168
%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 172th, in residue B 65
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 57
Block first atom: 171
%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 174th, in residue B 67
%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 175th, in residue B 68
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 58
Block first atom: 174
%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 177th, in residue B 70
%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 178th, in residue B 71
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 59
Block first atom: 177
%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 180th, in residue B 73
%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 181th, in residue B 74
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 60
Block first atom: 180
%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 183th, in residue B 76
%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 184th, in residue B 77
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 61
Block first atom: 183
%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 186th, in residue B 79
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 62 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 187th, in residue B 80
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 62
Block first atom: 186
%Blocpdb-Wn> 2 atoms in block 63 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 190th, in residue B 82
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 63
Block first atom: 189
%Blocpdb-Wn> 1 atoms in block 64 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 192th, in residue B 84
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 64 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 193th, in residue B 85
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 64
Block first atom: 192
%Blocpdb-Wn> 1 atoms in block 65 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 195th, in residue B 87
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 65 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 196th, in residue B 88
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 65
Block first atom: 195
%Blocpdb-Wn> 1 atoms in block 66 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 198th, in residue B 90
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 66 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 199th, in residue B 91
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 66
Block first atom: 198
%Blocpdb-Wn> 1 atoms in block 67 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 201th, in residue B 93
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 67 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 202th, in residue B 94
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 67
Block first atom: 201
%Blocpdb-Wn> 1 atoms in block 68 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 204th, in residue B 96
%Blocpdb-Wn> It will be merged with next block.
%Blocpdb-Wn> 2 atoms in block 68 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 205th, in residue B 97
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 68
Block first atom: 203
Blocpdb> 68 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> 11210 matrix lines read.
Prepmat> Matrix order = 621
Prepmat> Matrix trace = 22000.0000
Prepmat> Last element read: 621 621 43.0228
Prepmat> 2347 lines saved.
Prepmat> 2050 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: 207
RTB> Total mass = 207.0000
RTB> Number of atoms found in matrix: 207
RTB> Number of blocks = 68
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 12281.9231
RTB> 9636 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 = 408
Diagstd> Nb of non-zero elements: 9636
Diagstd> Projected matrix trace = 12281.9231
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 408 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 12281.9231
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 0.0056104 0.1693507 0.2065829 0.2456265
0.2773149 0.3232395 0.3729876 0.3955214 0.4564599
0.5103222 0.5956695 0.6451428 0.6980210 0.7271441
0.8314950 0.8778307 0.9466311 1.0634219 1.0827494
1.2292508 1.3021713 1.4423034 1.4617034 1.5545330
1.6223499 1.7171759 1.7483213 1.7878546 1.9911762
2.0327787 2.1265237 2.1832546 2.2700814 2.3032324
2.4622021 2.5286374 2.6101345 2.8241629 2.9000318
3.0373546 3.0926038 3.2661178 3.4361736 3.4677859
3.5489839 3.6701898 3.7609809 3.9093274 3.9793440
4.2410552 4.2790661 4.5200276 4.7117389 4.8204601
4.8775566 5.0562382 5.1959121 5.2281634 5.3517887
5.4027421 5.6637601 5.6671255 6.1383500 6.2779836
6.3567799 6.5029493 6.6057578 6.8461494 6.9946357
7.1236603 7.2191741 7.3204593 7.3619543 7.5460131
7.8117526 7.9755878 8.0462657 8.1019595 8.3275489
8.5669670 8.6417347 8.9071404 8.9262448 9.1048255
9.4465170 9.5154559 9.6000282 9.6701740 9.8747589
10.1378738 10.2640625 10.4850061 10.7003518 10.7945394
10.9341010 11.0879599 11.2063643 11.3387314 11.4074584
11.4802179
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034335 0.0034338 0.0034339 0.0034339 0.0034340
0.0034340 8.1337437 44.6877841 49.3562824 53.8186637
57.1849671 61.7387050 66.3196849 68.2936421 73.3662996
77.5742345 83.8104062 87.2214294 90.7255332 92.5988378
99.0204983 101.7420905 105.6539333 111.9819625 112.9950071
120.3969622 123.9165589 130.4138125 131.2879632 135.3927008
138.3144471 142.2992717 143.5839529 145.1982502 153.2322323
154.8247296 158.3544952 160.4528640 163.6123154 164.8026370
170.3951115 172.6786175 175.4392348 182.4904536 184.9254395
189.2531103 190.9666036 196.2506946 201.2949254 202.2187486
204.5725200 208.0365014 210.5939279 214.7070491 216.6212326
223.6311221 224.6310461 230.8691071 235.7142765 238.4182679
239.8260958 244.1794107 247.5290516 248.2960760 251.2145328
252.4075836 258.4328438 258.5096120 269.0426318 272.0854817
273.7876592 276.9175402 279.0979228 284.1309000 287.1956318
289.8323655 291.7689275 293.8085607 294.6400901 298.3005518
303.5075654 306.6737687 308.0296096 309.0938145 313.3674444
317.8402010 319.2241543 324.0891032 324.4364766 327.6657851
333.7575777 334.9732139 336.4585226 337.6855099 341.2388978
345.7552002 347.9003967 351.6249019 355.2174640 356.7774023
359.0763663 361.5939066 363.5194458 365.6600495 366.7665552
367.9343588
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 207
Rtb_to_modes> Number of blocs = 68
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: 9.9972E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9998E-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: 5.6104E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1694
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2066
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.2456
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2773
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3232
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.3730
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3955
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4565
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5103
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5957
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6451
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.6980
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.7271
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.8315
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.8778
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.9466
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.063
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.083
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.229
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.302
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.442
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.462
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.555
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.622
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.717
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.748
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.788
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.991
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.033
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.127
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.183
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.270
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.303
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.462
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.529
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.610
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.824
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.900
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.037
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.093
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.266
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.436
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.468
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.549
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.670
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.761
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.909
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.979
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.241
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.279
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.520
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.712
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.820
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.878
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 5.056
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.196
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.228
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.352
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.403
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.664
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.667
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.138
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.278
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.357
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.503
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.606
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 6.846
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 6.995
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.124
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.219
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.320
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 7.362
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 7.546
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 7.812
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 7.976
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.046
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 8.102
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 8.328
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 8.567
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 8.642
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 8.907
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 8.926
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 9.105
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 9.447
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 9.515
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 9.600
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 9.670
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 9.875
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 10.49
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 10.70
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 10.79
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 10.93
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 11.21
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 11.48
Rtb_to_modes> 106 vectors, with 408 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99999 1.00001 1.00000 1.00000
1.00000 1.00002 0.99999 0.99999 1.00004
1.00003 0.99999 0.99998 1.00000 1.00001
1.00001 0.99999 1.00000 1.00000 1.00003
0.99999 0.99998 1.00000 1.00000 0.99998
0.99999 1.00000 1.00000 0.99998 0.99999
0.99999 1.00002 1.00002 1.00001 1.00000
0.99999 1.00000 1.00000 1.00001 1.00005
0.99997 1.00000 1.00004 1.00001 0.99998
1.00000 1.00000 1.00001 1.00002 1.00000
1.00000 0.99997 0.99999 1.00004 1.00003
1.00000 1.00001 0.99997 1.00002 1.00002
0.99997 1.00000 1.00002 1.00000 0.99999
0.99997 0.99999 1.00001 1.00001 1.00002
1.00003 1.00000 0.99998 0.99999 0.99999
1.00000 1.00000 0.99998 0.99997 1.00002
1.00000 0.99999 1.00000 1.00001 1.00002
1.00002 1.00001 1.00001 0.99999 0.99999
0.99998 1.00002 1.00001 0.99999 1.00003
0.99998 0.99999 0.99996 1.00001 1.00001
1.00004 1.00001 1.00002 1.00001 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 3726 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 0.99999 1.00001 1.00000 1.00000
1.00000 1.00002 0.99999 0.99999 1.00004
1.00003 0.99999 0.99998 1.00000 1.00001
1.00001 0.99999 1.00000 1.00000 1.00003
0.99999 0.99998 1.00000 1.00000 0.99998
0.99999 1.00000 1.00000 0.99998 0.99999
0.99999 1.00002 1.00002 1.00001 1.00000
0.99999 1.00000 1.00000 1.00001 1.00005
0.99997 1.00000 1.00004 1.00001 0.99998
1.00000 1.00000 1.00001 1.00002 1.00000
1.00000 0.99997 0.99999 1.00004 1.00003
1.00000 1.00001 0.99997 1.00002 1.00002
0.99997 1.00000 1.00002 1.00000 0.99999
0.99997 0.99999 1.00001 1.00001 1.00002
1.00003 1.00000 0.99998 0.99999 0.99999
1.00000 1.00000 0.99998 0.99997 1.00002
1.00000 0.99999 1.00000 1.00001 1.00002
1.00002 1.00001 1.00001 0.99999 0.99999
0.99998 1.00002 1.00001 0.99999 1.00003
0.99998 0.99999 0.99996 1.00001 1.00001
1.00004 1.00001 1.00002 1.00001 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> 2602061614483035571.eigenfacs
Openam> file on opening on unit 10:
2602061614483035571.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602061614483035571.atom
Openam> file on opening on unit 11:
2602061614483035571.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 = 198
First residue number = 1
Last residue number = 99
Number of atoms found = 207
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: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-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: 5.6104E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2773
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8315
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8778
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.063
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.083
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.127
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.303
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.436
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.520
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 5.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.196
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 6.846
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 6.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.124
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 7.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 7.546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 7.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 7.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 8.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 8.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 8.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 8.642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 8.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 8.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 9.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 9.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 9.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 9.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 9.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 9.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 10.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 10.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 10.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 11.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 11.48
Bfactors> 106 vectors, 621 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 : 0.005610
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= 0.178 for 207 C-alpha atoms.
Bfactors> = 18.077 +/- 117.04
Bfactors> = 15.150 +/- 4.49
Bfactors> Shiftng-fct= -2.928
Bfactors> Scaling-fct= 0.038
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602061614483035571.eigenfacs
Openam> file on opening on unit 10:
2602061614483035571.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: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-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: 8.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 44.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 49.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 53.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 57.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 61.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 66.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 68.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 73.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 77.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 83.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 87.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 90.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 92.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 99.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 105.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 112.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 113.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 120.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 123.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 130.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 131.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 135.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 138.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 142.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 143.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 145.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 153.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 154.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 158.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 160.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 163.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 164.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 170.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 172.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 175.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 182.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 184.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 189.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 191.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 196.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 201.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 202.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 204.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 208.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 210.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 214.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 216.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 223.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 224.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 230.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 235.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 238.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 239.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 244.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 247.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 248.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 251.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 252.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 258.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 258.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 269.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 272.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 273.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 276.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 279.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 284.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 287.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 289.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 291.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 293.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 294.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 298.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 303.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 306.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 308.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 309.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 313.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 317.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 319.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 324.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 324.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 327.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 333.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 335.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 336.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 337.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 341.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 345.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 347.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 351.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 355.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 356.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 359.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 361.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 363.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 365.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 366.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 367.9
Chkmod> 106 vectors, 621 coordinates in file.
Chkmod> That is: 207 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 9 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 103 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7264
0.0034 0.7327
0.0034 0.8435
0.0034 0.7847
0.0034 0.9602
0.0034 0.9245
8.1334 0.0192
44.6924 0.5520
49.3562 0.5238
53.8134 0.2660
57.1810 0.3264
61.7323 0.4041
66.3179 0.2709
68.2889 0.4329
73.3664 0.1729
77.5692 0.2602
83.8090 0.6594
87.2148 0.4555
90.7203 0.5010
92.5921 0.3871
99.0165 0.3861
101.7359 0.5234
105.6477 0.5245
111.9549 0.3223
113.0032 0.3397
120.3795 0.6342
123.9031 0.3638
130.3945 0.4952
131.2956 0.4989
135.4072 0.4710
138.2936 0.4433
142.2859 0.5173
143.5646 0.3183
145.1979 0.5570
153.2189 0.4506
154.8265 0.4688
158.3654 0.3752
160.4366 0.3963
163.6024 0.3773
164.7872 0.6351
170.3808 0.3034
172.6836 0.4425
175.4272 0.2680
182.4774 0.5349
184.9165 0.5218
189.2339 0.4850
190.9706 0.3131
196.2387 0.5055
201.2812 0.4854
202.2163 0.5644
204.5642 0.5162
208.0222 0.4396
210.5854 0.3738
214.6888 0.3602
216.6026 0.4640
223.6201 0.4506
224.6197 0.6127
230.8585 0.4133
235.7107 0.4587
238.3967 0.4111
239.8267 0.4311
244.1632 0.6345
247.5205 0.5168
248.2815 0.4372
251.2087 0.4487
252.4028 0.5278
258.4272 0.5208
258.4957 0.5231
269.0234 0.5131
272.0742 0.4318
273.7806 0.5376
276.9067 0.5687
279.0911 0.4585
284.1156 0.3945
287.1908 0.4799
289.8268 0.5260
291.7529 0.6355
293.7867 0.5657
294.6284 0.4098
298.2875 0.5263
303.4993 0.5377
306.6685 0.5095
308.0113 0.4813
309.0813 0.4980
313.3625 0.5804
317.8272 0.6043
319.2154 0.5124
324.0726 0.6124
324.4181 0.4463
327.6549 0.5182
333.7518 0.4918
334.9508 0.6616
336.4436 0.5790
337.6680 0.5277
341.2284 0.3967
345.7766 0.5783
347.8166 0.6141
351.6935 0.6337
355.1964 0.6163
356.6871 0.5291
358.9936 0.4659
361.6116 0.5717
363.5628 0.4598
365.6648 0.5470
366.7917 0.5442
367.9151 0.4532
getting mode 7
running: ../../bin/get_modes.sh 2602061614483035571 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=0
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=100
2602061614483035571.eigenfacs
2602061614483035571.atom
making animated gifs
11 models are in 2602061614483035571.7.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 2602061614483035571.7.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 2602061614483035571.7.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 2602061614483035571 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=0
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=100
2602061614483035571.eigenfacs
2602061614483035571.atom
making animated gifs
11 models are in 2602061614483035571.8.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 2602061614483035571.8.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 2602061614483035571.8.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 2602061614483035571 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=0
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=100
2602061614483035571.eigenfacs
2602061614483035571.atom
making animated gifs
11 models are in 2602061614483035571.9.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 2602061614483035571.9.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 2602061614483035571.9.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 2602061614483035571 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=0
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=100
2602061614483035571.eigenfacs
2602061614483035571.atom
making animated gifs
11 models are in 2602061614483035571.10.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 2602061614483035571.10.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 2602061614483035571.10.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 2602061614483035571 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=-20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=0
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=20
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=40
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=60
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=80
2602061614483035571.eigenfacs
2602061614483035571.atom
calculating perturbed structure for DQ=100
2602061614483035571.eigenfacs
2602061614483035571.atom
making animated gifs
11 models are in 2602061614483035571.11.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 2602061614483035571.11.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 2602061614483035571.11.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
2602061614483035571.10.pdb
2602061614483035571.11.pdb
2602061614483035571.7.pdb
2602061614483035571.8.pdb
2602061614483035571.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m1.029s
user 0m1.017s
sys 0m0.011s
rm: cannot remove '2602061614483035571.sdijf': No such file or directory
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: december 26th, 2025.
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