*** ***
Output from eigenvector calculation:
STDOUT:
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 = 2604281257142874799.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2604281257142874799.atom to be opened.
Openam> File opened: 2604281257142874799.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 = 311
First residue number = 1
Last residue number = 145
Number of atoms found = 311
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 13.696627 +/- 7.675921 From: -2.304000 To: 31.529000
= -19.010489 +/- 17.345506 From: -56.740000 To: 16.025000
= -0.653299 +/- 13.132474 From: -28.466000 To: 26.387000
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 5.4846 % Filled.
Pdbmat> 23897 non-zero elements.
Pdbmat> 2449 atom-atom interactions.
Pdbmat> Number per atom= 15.75 +/- 5.18
Maximum number = 28
Minimum number = 3
Pdbmat> Matrix trace = 48980.0
Pdbmat> Larger element = 124.658
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
311 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2604281257142874799.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2604281257142874799.atom to be opened.
Openam> file on opening on unit 11:
2604281257142874799.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 311 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 311 residues.
%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> 4 atoms in block 1
Block first atom: 1
%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 6th, in residue A 6
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 2
Block first atom: 5
%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 10th, in residue A 10
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 3
Block first atom: 9
%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 14th, in residue A 14
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 4
Block first atom: 13
%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 18th, in residue A 18
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 5
Block first atom: 17
%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 22th, in residue A 22
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 6
Block first atom: 21
%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 26th, in residue A 26
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 7
Block first atom: 25
%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 30th, in residue A 30
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 8
Block first atom: 29
%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 34th, in residue A 34
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 9
Block first atom: 33
%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 38th, in residue A 38
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 10
Block first atom: 37
%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 42th, in residue A 42
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 11
Block first atom: 41
%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 46th, in residue A 46
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 12
Block first atom: 45
%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 50th, in residue A 50
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 13
Block first atom: 49
%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 54th, in residue A 54
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 14
Block first atom: 53
%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 58th, in residue A 58
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 15
Block first atom: 57
%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 62th, in residue A 62
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 16
Block first atom: 61
%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 66th, in residue A 66
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 17
Block first atom: 65
%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 70th, in residue A 70
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 18
Block first atom: 69
%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 74th, in residue A 74
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 19
Block first atom: 73
%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 78th, in residue A 78
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 20
Block first atom: 77
%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 82th, in residue A 82
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 21
Block first atom: 81
%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 86th, in residue A 86
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 22
Block first atom: 85
%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 90th, in residue A 90
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 23
Block first atom: 89
%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 94th, in residue A 94
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 24
Block first atom: 93
%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 98th, in residue A 98
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 25
Block first atom: 97
%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 102th, in residue A 102
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 26
Block first atom: 101
%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 106th, in residue A 106
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 27
Block first atom: 105
%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 110th, in residue A 110
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 28
Block first atom: 109
%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 114th, in residue A 114
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 29
Block first atom: 113
%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 118th, in residue A 118
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 30
Block first atom: 117
%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 122th, in residue A 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 31
Block first atom: 121
%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 126th, in residue A 126
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 32
Block first atom: 125
%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 130th, in residue A 130
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 33
Block first atom: 129
%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 134th, in residue A 134
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 34
Block first atom: 133
%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 138th, in residue A 138
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 35
Block first atom: 137
%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 142th, in residue A 142
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 36
Block first atom: 141
%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 146th, in residue A 146
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 37
Block first atom: 145
%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 150th, in residue A 150
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 38
Block first atom: 149
%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 154th, in residue A 154
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 39
Block first atom: 153
%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 158th, in residue A 158
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 40
Block first atom: 157
%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 162th, in residue A 162
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 41
Block first atom: 161
%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 166th, in residue A 166
%Blocpdb-Wn> It is merged with the previous one.
Blocpdb> 6 atoms in block 41
%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 168th, in residue B 2
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 42
Block first atom: 167
%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 172th, in residue B 6
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 43
Block first atom: 171
%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 176th, in residue B 10
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 44
Block first atom: 175
%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 180th, in residue B 14
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 45
Block first atom: 179
%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 184th, in residue B 18
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 46
Block first atom: 183
%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 188th, in residue B 22
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 47
Block first atom: 187
%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 192th, in residue B 26
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 48
Block first atom: 191
%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 196th, in residue B 30
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 49
Block first atom: 195
%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 200th, in residue B 34
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 50
Block first atom: 199
%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 204th, in residue B 38
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 51
Block first atom: 203
%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 208th, in residue B 42
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 52
Block first atom: 207
%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 212th, in residue B 46
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 53
Block first atom: 211
%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 216th, in residue B 50
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 54
Block first atom: 215
%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 220th, in residue B 54
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 55
Block first atom: 219
%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 224th, in residue B 58
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 56
Block first atom: 223
%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 228th, in residue B 62
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 57
Block first atom: 227
%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 232th, in residue B 66
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 58
Block first atom: 231
%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 236th, in residue B 70
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 59
Block first atom: 235
%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 240th, in residue B 74
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 60
Block first atom: 239
%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 244th, in residue B 78
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 61
Block first atom: 243
%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 248th, in residue B 82
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 62
Block first atom: 247
%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 252th, in residue B 86
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 63
Block first atom: 251
%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 256th, in residue B 90
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 64
Block first atom: 255
%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 260th, in residue B 94
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 65
Block first atom: 259
%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 264th, in residue B 98
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 66
Block first atom: 263
%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 268th, in residue B 102
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 67
Block first atom: 267
%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 272th, in residue B 106
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 68
Block first atom: 271
%Blocpdb-Wn> 2 atoms in block 69 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 276th, in residue B 110
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 69
Block first atom: 275
%Blocpdb-Wn> 2 atoms in block 70 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 280th, in residue B 114
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 70
Block first atom: 279
%Blocpdb-Wn> 2 atoms in block 71 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 284th, in residue B 118
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 71
Block first atom: 283
%Blocpdb-Wn> 2 atoms in block 72 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 288th, in residue B 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 72
Block first atom: 287
%Blocpdb-Wn> 2 atoms in block 73 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 292th, in residue B 126
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 73
Block first atom: 291
%Blocpdb-Wn> 2 atoms in block 74 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 296th, in residue B 130
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 74
Block first atom: 295
%Blocpdb-Wn> 2 atoms in block 75 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 300th, in residue B 134
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 75
Block first atom: 299
%Blocpdb-Wn> 2 atoms in block 76 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 304th, in residue B 138
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 76
Block first atom: 303
%Blocpdb-Wn> 2 atoms in block 77 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 308th, in residue B 142
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 5 atoms in block 77
Block first atom: 306
Blocpdb> 77 blocks.
Blocpdb> At most, 6 atoms in each of them.
Blocpdb> At least, 4 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> 23974 matrix lines read.
Prepmat> Matrix order = 933
Prepmat> Matrix trace = 48980.0000
Prepmat> Last element read: 933 933 34.9969
Prepmat> 3004 lines saved.
Prepmat> 2554 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: 311
RTB> Total mass = 311.0000
RTB> Number of atoms found in matrix: 311
RTB> Number of blocks = 77
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 20708.3873
RTB> 15009 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 = 462
Diagstd> Nb of non-zero elements: 15009
Diagstd> Projected matrix trace = 20708.3873
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 462 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 20708.3873
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 0.0060766 0.0195171 0.0654543 0.0694616
0.2327678 0.3418345 0.4148639 0.4545638 0.5185573
0.8441156 0.8817365 1.0558431 1.1943038 1.3269028
1.3753212 1.4307363 1.7554406 1.8824476 1.9524742
2.0943453 2.3161621 2.3596674 2.6404532 2.9233724
3.1549142 3.2197890 3.3001046 3.3868693 3.4374084
3.7306541 3.7900511 4.0018785 4.1172482 4.3213646
4.3460073 4.5079083 4.5902825 4.8317618 5.0711676
5.3317583 5.4333956 5.5321916 5.6715485 5.9998125
6.2107639 6.2943895 6.4347229 6.9836722 7.3431430
7.4813453 7.7638650 7.8603780 7.9911978 8.0809307
8.2173385 8.3902857 8.5115316 8.7347461 8.8605925
8.9432923 9.3524123 9.4924551 9.5407709 9.8829593
10.0712827 10.1572339 10.3335517 10.5728358 10.7000687
10.8984250 10.9605228 11.1770445 11.3810011 11.5753799
11.8444326 12.0523019 12.2799663 12.3747254 12.5705361
12.8266849 13.0708560 13.1699787 13.2785331 13.3465791
13.5164654 13.7917284 13.8694797 14.1827691 14.2239311
14.6121038 14.9379475 15.2674424 15.2894017 15.3456560
15.3955950 15.6620035 15.8988956 16.0059540 16.1915607
16.4883941
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034338 0.0034339 0.0034340 0.0034340 0.0034340
0.0034341 8.4649502 15.1706186 27.7820652 28.6198757
52.3910080 63.4896941 69.9436186 73.2137547 78.1976414
99.7691445 101.9681867 111.5822127 118.6732106 125.0877637
127.3495303 129.8898101 143.8759963 148.9898670 151.7357542
157.1518246 165.2645697 166.8094611 176.4552232 185.6681242
192.8808265 194.8538487 197.2691321 199.8455575 201.3310910
209.7431446 211.4062441 217.2337153 220.3427699 225.7385523
226.3812770 230.5593908 232.6563905 238.6975917 244.5396373
250.7439746 253.1226112 255.4135219 258.6104710 265.9892722
270.6249234 272.4407622 275.4610543 286.9704660 294.2634163
297.0196141 302.5758550 304.4507143 306.9737362 308.6924237
311.2869172 314.5456294 316.8101873 320.9374679 323.2411649
324.7461370 332.0909975 334.5681194 335.4185005 341.3805584
344.6177745 346.0851832 349.0760786 353.0945582 355.2127645
358.4900859 359.5099501 363.0435875 366.3409881 369.4561551
373.7252238 376.9903918 380.5343515 381.9997383 385.0101513
388.9130293 392.5972883 394.0831049 395.7039004 396.7164985
399.2333835 403.2780911 404.4132397 408.9552577 409.5482741
415.0989687 419.7017160 424.3052697 424.6103006 425.3907188
426.0823254 429.7530212 432.9908898 434.4462594 436.9579410
440.9450380
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 311
Rtb_to_modes> Number of blocs = 77
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: 9.9989E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
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: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.0766E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.9517E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.5454E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.9462E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2328
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.3418
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4149
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.4546
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.5186
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.8441
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.8817
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.056
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.194
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.327
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.375
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.431
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.755
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.882
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.952
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.094
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.316
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.360
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.640
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2.923
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.155
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.220
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.300
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3.387
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3.437
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3.731
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.790
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 4.002
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 4.117
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 4.321
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.346
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.508
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.590
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.832
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.071
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.332
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.433
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.532
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.672
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.000
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.211
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.294
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.435
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.984
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 7.343
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 7.481
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 7.764
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.860
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 7.991
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 8.081
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 8.217
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 8.390
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 8.512
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 8.735
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 8.861
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 8.943
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 9.352
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 9.492
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 9.541
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 9.883
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 10.16
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 10.33
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 10.57
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 10.70
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 10.96
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 11.18
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 12.05
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 12.28
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 12.37
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 12.83
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 13.17
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 13.28
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 13.35
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 13.52
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 13.79
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 13.87
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 14.18
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 14.22
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 14.61
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 14.94
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 15.27
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 15.29
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 15.35
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 15.66
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 15.90
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 16.01
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 16.19
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 16.49
Rtb_to_modes> 106 vectors, with 462 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99998 1.00002 0.99999 1.00000
0.99995 0.99999 1.00004 1.00000 0.99999
0.99997 1.00001 0.99999 1.00000 0.99998
1.00002 1.00001 0.99999 0.99999 1.00000
1.00000 1.00001 0.99999 1.00001 0.99999
1.00002 1.00002 1.00001 0.99997 1.00000
0.99999 1.00000 1.00001 0.99999 1.00001
1.00001 1.00003 0.99997 0.99998 0.99999
1.00002 1.00003 1.00001 1.00000 1.00002
1.00004 1.00000 0.99999 0.99999 1.00001
0.99999 1.00000 1.00002 1.00002 1.00001
0.99999 1.00000 1.00002 1.00003 1.00002
1.00001 1.00001 0.99999 1.00000 0.99999
1.00001 1.00000 1.00004 1.00000 0.99998
1.00001 0.99999 1.00003 0.99998 0.99998
0.99997 0.99997 1.00004 0.99999 1.00000
0.99999 1.00000 0.99999 1.00000 1.00003
0.99999 0.99999 1.00002 1.00002 1.00000
0.99999 1.00000 1.00002 1.00002 1.00001
0.99996 1.00001 1.00001 1.00001 1.00001
1.00003 0.99998 0.99999 1.00002 1.00003
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 5598 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99998 1.00002 0.99999 1.00000
0.99995 0.99999 1.00004 1.00000 0.99999
0.99997 1.00001 0.99999 1.00000 0.99998
1.00002 1.00001 0.99999 0.99999 1.00000
1.00000 1.00001 0.99999 1.00001 0.99999
1.00002 1.00002 1.00001 0.99997 1.00000
0.99999 1.00000 1.00001 0.99999 1.00001
1.00001 1.00003 0.99997 0.99998 0.99999
1.00002 1.00003 1.00001 1.00000 1.00002
1.00004 1.00000 0.99999 0.99999 1.00001
0.99999 1.00000 1.00002 1.00002 1.00001
0.99999 1.00000 1.00002 1.00003 1.00002
1.00001 1.00001 0.99999 1.00000 0.99999
1.00001 1.00000 1.00004 1.00000 0.99998
1.00001 0.99999 1.00003 0.99998 0.99998
0.99997 0.99997 1.00004 0.99999 1.00000
0.99999 1.00000 0.99999 1.00000 1.00003
0.99999 0.99999 1.00002 1.00002 1.00000
0.99999 1.00000 1.00002 1.00002 1.00001
0.99996 1.00001 1.00001 1.00001 1.00001
1.00003 0.99998 0.99999 1.00002 1.00003
1.00000
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> 2604281257142874799.eigenfacs
Openam> file on opening on unit 10:
2604281257142874799.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604281257142874799.atom
Openam> file on opening on unit 11:
2604281257142874799.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 = 311
First residue number = 1
Last residue number = 145
Number of atoms found = 311
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: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
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: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0766E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9517E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.5454E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9462E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4546
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3.387
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3.731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.790
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 4.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 4.117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 4.321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.071
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.000
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.984
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 7.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 7.481
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 7.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 7.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 8.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 8.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 8.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 8.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 8.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 8.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 8.943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 9.352
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 9.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 9.883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 10.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 10.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 11.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 12.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 12.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 12.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 13.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 13.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 13.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 13.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 14.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 14.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 14.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 15.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 15.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 15.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 16.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 16.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Bfactors> 106 vectors, 933 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 : 0.006077
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= 0.185 for 311 C-alpha atoms.
Bfactors> = 13.942 +/- 15.18
Bfactors> = 26.507 +/- 11.29
Bfactors> Shiftng-fct= 12.566
Bfactors> Scaling-fct= 0.743
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604281257142874799.eigenfacs
Openam> file on opening on unit 10:
2604281257142874799.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 8.465
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 15.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 27.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 28.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 52.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 63.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 69.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 73.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 78.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 99.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 102.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 111.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 118.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 125.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 127.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 129.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 143.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 149.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 151.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 157.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 165.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 166.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 176.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 185.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 192.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 194.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 197.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 199.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 201.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 209.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 211.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 217.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 220.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 225.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 226.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 230.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 232.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 238.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 244.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 250.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 253.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 255.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 258.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 266.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 270.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 272.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 275.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 287.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 294.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 297.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 302.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 304.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 307.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 308.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 311.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 314.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 316.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 320.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 323.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 324.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 332.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 334.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 335.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 341.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 344.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 346.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 349.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 353.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 355.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 358.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 359.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 363.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 366.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 369.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 373.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 376.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 380.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 381.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 385.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 388.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 392.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 394.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 395.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 396.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 399.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 403.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 404.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 408.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 409.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 415.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 419.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 424.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 424.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 425.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 426.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 429.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 433.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 434.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 436.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 440.9
Chkmod> 106 vectors, 933 coordinates in file.
Chkmod> That is: 311 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 6 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 8 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 29 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 42 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 73 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 97 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 105 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7316
0.0034 0.8111
0.0034 0.9329
0.0034 0.7149
0.0034 0.8207
0.0034 0.9317
8.4646 0.7410
15.1699 0.7002
27.7808 0.0337
28.6187 0.5679
52.3924 0.1109
63.4838 0.1559
69.9437 0.7622
73.2135 0.7557
78.1975 0.7122
99.7639 0.3140
101.9617 0.1911
111.5857 0.2324
118.6530 0.0449
125.0870 0.2164
127.3292 0.3771
129.8962 0.3232
143.8518 0.0622
148.9658 0.4872
151.7108 0.4323
157.1321 0.4712
165.2517 0.3565
166.8141 0.1685
176.4325 0.5296
185.6483 0.3633
192.8752 0.3577
194.8519 0.1895
197.2575 0.1553
199.8408 0.3768
201.3105 0.3773
209.7439 0.3635
211.3957 0.2363
217.2277 0.3044
220.3267 0.3113
225.7193 0.4258
226.3714 0.4167
230.5518 0.2919
232.6392 0.2950
238.6932 0.2968
244.5251 0.4010
250.7389 0.5641
253.1025 0.5571
255.3981 0.1037
258.6097 0.5328
265.9820 0.2019
270.6184 0.3790
272.4206 0.5264
275.4552 0.5227
286.9649 0.5758
294.2479 0.3602
297.0000 0.3714
302.5655 0.5790
304.4303 0.3397
306.9568 0.3352
308.6805 0.4997
311.2671 0.4303
314.5268 0.5862
316.8053 0.4239
320.9284 0.5986
323.2347 0.2047
324.7269 0.3586
332.0694 0.5794
334.5457 0.3227
335.4081 0.3222
341.3666 0.5246
344.5810 0.5091
346.1174 0.4320
349.0011 0.4117
353.0320 0.4101
355.1964 0.4126
358.5006 0.3472
359.4859 0.3316
363.0760 0.3798
366.3092 0.5365
369.5140 0.3699
373.6392 0.5474
376.9382 0.4768
380.5185 0.3335
381.9104 0.4331
384.9854 0.4078
388.9466 0.2255
392.5676 0.5550
394.0665 0.3970
395.7088 0.4874
396.7503 0.6323
399.2684 0.5530
403.2355 0.4898
404.4035 0.5314
408.8978 0.4547
409.4741 0.4170
415.0513 0.4100
419.7125 0.1827
424.3226 0.4994
424.6004 0.1903
425.4327 0.4863
426.1250 0.1974
429.7071 0.2869
432.9873 0.3704
434.4825 0.2976
436.9181 0.2342
440.9476 0.1727
getting mode 7
running: ../../bin/get_modes.sh 2604281257142874799 7 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2604281257142874799 8 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2604281257142874799 9 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2604281257142874799 10 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2604281257142874799 11 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2604281257142874799 12 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2604281257142874799 13 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2604281257142874799 14 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2604281257142874799 15 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2604281257142874799 16 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=0
2604281257142874799.eigenfacs
2604281257142874799.atom
calculating perturbed structure for DQ=20
2604281257142874799.eigenfacs
2604281257142874799.atom
making animated gifs
3 models are in 2604281257142874799.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604281257142874799.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2604281257142874799.10.pdb
2604281257142874799.11.pdb
2604281257142874799.12.pdb
2604281257142874799.13.pdb
2604281257142874799.14.pdb
2604281257142874799.15.pdb
2604281257142874799.16.pdb
2604281257142874799.7.pdb
2604281257142874799.8.pdb
2604281257142874799.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m1.244s
user 0m1.235s
sys 0m0.009s
rm: cannot remove '2604281257142874799.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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