***  Open   ***
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 = 2604281213322860870.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 2604281213322860870.atom to be opened.
Openam> File opened: 2604281213322860870.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 = 2
Last residue number = 158
Number of atoms found = 311
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 14.378077 +/- 8.637171 From: -5.678000 To: 33.518000
= 9.446650 +/- 13.022937 From: -19.313000 To: 36.543000
= 19.356074 +/- 12.528801 From: -8.665000 To: 48.110000
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 3.4915 % Filled.
Pdbmat> 15213 non-zero elements.
Pdbmat> 1483 atom-atom interactions.
Pdbmat> Number per atom= 9.54 +/- 2.82
Maximum number = 16
Minimum number = 4
Pdbmat> Matrix trace = 29660.0
Pdbmat> Larger element = 69.7646
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 = 2604281213322860870.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 2604281213322860870.atom to be opened.
Openam> file on opening on unit 11:
2604281213322860870.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 3
%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 7
%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 11
%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 15
%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 19
%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 23
%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 27
%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 31
%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 35
%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 39
%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 43
%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 47
%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 51
%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 55
%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 59
%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 63
%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 67
%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 71
%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 75
%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 79
%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 83
%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 87
%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 91
%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 95
%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 99
%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 103
%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 107
%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 111
%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 115
%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 119
%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 123
%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 127
%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 131
%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 135
%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 139
%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 143
%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 147
%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 151
%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 155
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 39
Block first atom: 153
%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 157th, in residue A 158
%Blocpdb-Wn> It is merged with the previous one.
Blocpdb> 5 atoms in block 39
%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 159th, in residue B 3
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 40
Block first atom: 158
%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 163th, in residue B 7
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 41
Block first atom: 162
%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 167th, in residue B 11
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 42
Block first atom: 166
%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 171th, in residue B 15
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 43
Block first atom: 170
%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 175th, in residue B 19
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 44
Block first atom: 174
%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 179th, in residue B 23
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 45
Block first atom: 178
%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 183th, in residue B 27
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 46
Block first atom: 182
%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 187th, in residue B 31
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 47
Block first atom: 186
%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 191th, in residue B 35
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 48
Block first atom: 190
%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 195th, in residue B 39
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 49
Block first atom: 194
%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 199th, in residue B 43
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 50
Block first atom: 198
%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 203th, in residue B 47
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 51
Block first atom: 202
%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 207th, in residue B 51
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 52
Block first atom: 206
%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 211th, in residue B 55
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 53
Block first atom: 210
%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 215th, in residue B 59
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 54
Block first atom: 214
%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 219th, in residue B 63
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 55
Block first atom: 218
%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 223th, in residue B 67
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 56
Block first atom: 222
%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 227th, in residue B 71
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 57
Block first atom: 226
%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 231th, in residue B 75
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 58
Block first atom: 230
%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 235th, in residue B 79
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 59
Block first atom: 234
%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 239th, in residue B 83
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 60
Block first atom: 238
%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 243th, in residue B 87
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 61
Block first atom: 242
%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 247th, in residue B 91
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 62
Block first atom: 246
%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 251th, in residue B 95
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 63
Block first atom: 250
%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 255th, in residue B 99
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 64
Block first atom: 254
%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 259th, in residue B 103
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 65
Block first atom: 258
%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 263th, in residue B 107
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 66
Block first atom: 262
%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 267th, in residue B 111
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 67
Block first atom: 266
%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 271th, in residue B 115
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 68
Block first atom: 270
%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 275th, in residue B 119
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 69
Block first atom: 274
%Blocpdb-Wn> 1 atoms in block 70 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 278th, in residue B 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 70
Block first atom: 278
%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 282th, in residue B 129
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 71
Block first atom: 281
%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 286th, in residue B 133
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 72
Block first atom: 285
%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 290th, in residue B 137
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 73
Block first atom: 289
%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 294th, in residue B 141
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 74
Block first atom: 293
%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 298th, in residue B 145
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 75
Block first atom: 297
%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 302th, in residue B 149
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 76
Block first atom: 301
%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 306th, in residue B 153
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 77
Block first atom: 305
Blocpdb> 3 atoms in block 78
Block first atom: 308
Blocpdb> 78 blocks.
Blocpdb> At most, 5 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> 15291 matrix lines read.
Prepmat> Matrix order = 933
Prepmat> Matrix trace = 29660.0000
Prepmat> Last element read: 933 933 18.9572
Prepmat> 3082 lines saved.
Prepmat> 2763 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 = 78
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 11363.2679
RTB> 10278 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 = 468
Diagstd> Nb of non-zero elements: 10278
Diagstd> Projected matrix trace = 11363.2679
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 468 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 11363.2679
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 0.0455290 0.0676608 0.1151845 0.1453260
0.1531307 0.1811011 0.2102882 0.2277841 0.2711778
0.2882791 0.3273155 0.3489373 0.3939085 0.4226649
0.4658758 0.5046979 0.5247123 0.5595313 0.5856476
0.6303940 0.6750049 0.6898781 0.7159118 0.7796572
0.8522242 0.8605327 0.9211933 0.9547039 1.0318586
1.0864851 1.1116854 1.1564599 1.1827369 1.2032169
1.3335178 1.3661416 1.3984435 1.4705567 1.5608564
1.5870723 1.6402634 1.7852890 1.8413850 1.8557906
1.9111553 1.9546106 2.0326259 2.0640728 2.1026207
2.1253491 2.2044938 2.2569864 2.3952454 2.4642696
2.5032210 2.5954958 2.6874066 2.7438076 2.8263456
2.8627037 2.9204711 2.9599647 3.0525540 3.1442558
3.1643619 3.2421536 3.3417967 3.3840284 3.5031059
3.6128862 3.6794840 3.6948014 3.7922208 3.8141938
3.8507242 3.9553283 3.9753025 4.1052224 4.2997820
4.3487128 4.4419405 4.5061517 4.5738171 4.6525689
4.6671442 4.7570706 4.8520003 4.9989356 5.0891514
5.1750860 5.2026955 5.3608898 5.4629224 5.5841285
5.6827171 5.7016700 5.7360836 5.8635037 5.9659741
6.0409501
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034333 0.0034338 0.0034339 0.0034340 0.0034340
0.0034340 23.1706979 28.2464528 36.8546495 41.3968112
42.4938881 46.2121072 49.7969467 51.8271110 56.5486597
58.3044676 62.1267391 64.1459093 68.1542500 70.5981606
74.1191406 77.1455777 78.6603542 81.2283213 83.1023824
86.2186691 89.2172306 90.1947907 91.8808562 95.8842145
100.2471917 100.7346719 104.2247004 106.1034792 110.3075847
113.1897666 114.4949229 116.7778733 118.0971347 119.1152165
125.3991767 126.9238219 128.4155874 131.6849554 135.6677910
136.8023730 139.0759636 145.0940320 147.3559183 147.9311938
150.1216290 151.8187459 154.8189090 156.0119221 157.4619948
158.3107561 161.2314355 163.1397342 168.0622929 170.4666358
171.8085919 174.9465761 178.0172020 179.8755385 182.5609610
183.7314393 185.5759674 186.8265281 189.7260480 192.5547401
193.1694087 195.5294025 198.5113282 199.7617246 203.2459560
206.4060480 208.2997453 208.7328643 211.4667479 212.0785083
213.0916767 215.9665794 216.5112007 220.0207420 225.1741323
226.4517312 228.8661948 230.5144647 232.2387464 234.2295522
234.5961558 236.8454680 239.1969794 242.7918202 244.9728569
247.0324835 247.6905779 251.4280450 253.8094548 256.6096481
258.8649774 259.2962988 260.0776409 262.9504287 265.2381322
266.8995893
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 = 78
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: 9.9960E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.5529E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.7661E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1152
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1453
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1531
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1811
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2103
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2278
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2712
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2883
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3273
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.3489
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.3939
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.4227
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.4659
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.5047
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.5247
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.5595
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.5856
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.6304
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.6750
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 0.6899
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 0.7159
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 0.7797
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 0.8522
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 0.8605
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 0.9212
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 0.9547
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.032
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.086
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.112
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.156
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.183
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.203
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.334
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.366
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 1.398
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 1.471
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 1.561
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 1.587
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 1.640
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 1.785
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 1.841
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 1.856
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 1.911
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 1.955
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 2.033
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 2.064
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 2.103
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.125
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 2.204
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 2.257
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 2.395
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 2.464
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 2.503
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 2.595
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 2.687
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 2.744
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 2.826
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 2.863
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 2.920
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 2.960
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 3.053
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 3.144
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 3.164
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 3.242
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 3.342
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 3.384
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 3.503
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 3.613
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 3.679
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 3.695
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 3.792
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 3.814
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 3.851
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 3.955
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 3.975
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 4.105
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 4.300
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 4.349
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 4.442
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 4.506
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 4.574
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 4.653
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 4.667
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 4.757
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 4.852
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 4.999
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 5.089
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 5.175
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 5.203
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 5.361
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 5.463
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 5.584
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 5.683
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 5.702
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 5.736
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 5.864
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 5.966
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 6.041
Rtb_to_modes> 106 vectors, with 468 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 0.99999 1.00004 0.99997
1.00000 1.00000 1.00002 1.00003 0.99998
1.00001 0.99998 1.00001 0.99996 1.00000
1.00000 0.99999 0.99999 0.99999 1.00002
1.00000 0.99998 0.99998 1.00001 0.99997
1.00000 1.00001 0.99996 1.00001 1.00000
1.00002 1.00000 0.99998 1.00000 0.99999
1.00001 1.00001 1.00003 1.00001 1.00001
0.99998 0.99999 1.00004 0.99997 0.99996
0.99999 0.99998 0.99998 1.00000 1.00000
1.00000 0.99999 0.99998 1.00000 1.00003
1.00002 1.00001 1.00002 1.00002 1.00001
1.00004 1.00002 1.00000 1.00002 0.99999
0.99999 0.99999 0.99998 1.00001 1.00002
1.00002 1.00003 1.00001 1.00000 1.00003
0.99999 1.00002 0.99995 0.99999 1.00003
1.00001 0.99999 1.00004 0.99997 1.00004
1.00000 1.00001 1.00002 0.99998 0.99998
1.00003 1.00003 0.99997 0.99998 0.99999
1.00000 1.00003 1.00002 1.00001 1.00001
1.00001 1.00001 1.00003 1.00000 1.00002
0.99999
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 0.99999 0.99999 1.00004 0.99997
1.00000 1.00000 1.00002 1.00003 0.99998
1.00001 0.99998 1.00001 0.99996 1.00000
1.00000 0.99999 0.99999 0.99999 1.00002
1.00000 0.99998 0.99998 1.00001 0.99997
1.00000 1.00001 0.99996 1.00001 1.00000
1.00002 1.00000 0.99998 1.00000 0.99999
1.00001 1.00001 1.00003 1.00001 1.00001
0.99998 0.99999 1.00004 0.99997 0.99996
0.99999 0.99998 0.99998 1.00000 1.00000
1.00000 0.99999 0.99998 1.00000 1.00003
1.00002 1.00001 1.00002 1.00002 1.00001
1.00004 1.00002 1.00000 1.00002 0.99999
0.99999 0.99999 0.99998 1.00001 1.00002
1.00002 1.00003 1.00001 1.00000 1.00003
0.99999 1.00002 0.99995 0.99999 1.00003
1.00001 0.99999 1.00004 0.99997 1.00004
1.00000 1.00001 1.00002 0.99998 0.99998
1.00003 1.00003 0.99997 0.99998 0.99999
1.00000 1.00003 1.00002 1.00001 1.00001
1.00001 1.00001 1.00003 1.00000 1.00002
0.99999
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> 2604281213322860870.eigenfacs
Openam> file on opening on unit 10:
2604281213322860870.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604281213322860870.atom
Openam> file on opening on unit 11:
2604281213322860870.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 = 2
Last residue number = 158
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: 9.9960E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5529E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.7661E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1152
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2278
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2712
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3939
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5247
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.086
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 1.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 1.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 2.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 2.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 2.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 2.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 2.960
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 3.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 3.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 3.851
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 3.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 3.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 4.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 4.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.203
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 5.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 5.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 5.702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 5.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 5.864
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 5.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.041
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 : 0.045529
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= 0.637 for 311 C-alpha atoms.
Bfactors> = 7.032 +/- 5.94
Bfactors> = 23.956 +/- 10.09
Bfactors> Shiftng-fct= 16.924
Bfactors> Scaling-fct= 1.699
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604281213322860870.eigenfacs
Openam> file on opening on unit 10:
2604281213322860870.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4331E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 23.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 36.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 42.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 46.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 49.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 51.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 56.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 58.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 62.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 64.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 68.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 70.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 74.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 77.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 78.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 81.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 83.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 86.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 89.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 90.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 91.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 95.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 100.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 100.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 106.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 110.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 113.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 114.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 116.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 118.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 125.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 126.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 128.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 131.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 135.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 136.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 139.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 145.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 147.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 147.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 151.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 154.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 156.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 157.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 158.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 161.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 163.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 168.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 170.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 171.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 174.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 178.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 179.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 182.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 183.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 185.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 186.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 189.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 192.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 193.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 195.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 198.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 199.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 203.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 206.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 208.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 208.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 211.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 212.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 213.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 215.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 216.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 220.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 225.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 226.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 228.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 230.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 232.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 234.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 234.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 236.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 239.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 242.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 245.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 247.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 247.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 251.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 253.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 256.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 258.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 259.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 260.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 263.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 265.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 266.9
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 14 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 55 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 83 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 85 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7169
0.0034 0.8694
0.0034 0.9504
0.0034 0.7016
0.0034 0.7554
0.0034 0.9813
23.1697 0.6954
28.2453 0.7114
36.8555 0.4624
41.3913 0.2821
42.4878 0.5377
46.2100 0.5551
49.7962 0.4279
51.8267 0.1858
56.5486 0.4081
58.3041 0.2985
62.1226 0.2235
64.1397 0.3571
68.1506 0.3218
70.5981 0.5645
74.1179 0.4919
77.1424 0.5406
78.6561 0.6779
81.2226 0.5489
83.0954 0.5242
86.2154 0.3725
89.2131 0.4537
90.1924 0.4997
91.8762 0.3047
95.8827 0.4011
100.2415 0.4288
100.7284 0.5093
104.2206 0.5328
106.0987 0.4747
110.3104 0.5663
113.1596 0.3112
114.5062 0.6697
116.7496 0.4059
118.1052 0.4646
119.0994 0.4821
125.4165 0.5109
126.9118 0.5448
128.3897 0.3862
131.6992 0.5255
135.6682 0.4947
136.7934 0.4387
139.0588 0.3983
145.0761 0.3614
147.3342 0.5070
147.9332 0.5588
150.1091 0.4586
151.8274 0.5148
154.8265 0.5172
156.0025 0.6394
157.4694 0.3614
158.2910 0.3270
161.2065 0.5170
163.1332 0.4570
168.0465 0.5443
170.4500 0.3275
171.7936 0.3850
174.9224 0.3434
177.9961 0.4383
179.8741 0.6007
182.5420 0.3976
183.7331 0.5324
185.5530 0.5503
186.8196 0.6626
189.7318 0.5466
192.5386 0.4911
193.1501 0.5553
195.5164 0.5099
198.5088 0.2966
199.7523 0.5198
203.2342 0.5395
206.4004 0.6128
208.2771 0.3880
208.7295 0.4397
211.4515 0.6036
212.0640 0.5020
213.0902 0.4539
215.9483 0.4947
216.4937 0.5594
220.0053 0.4919
225.1702 0.4626
226.4495 0.4895
228.8579 0.5067
230.5007 0.5871
232.2334 0.5061
234.2303 0.4266
234.5825 0.4682
236.8335 0.5323
239.1867 0.4830
242.7830 0.5296
244.9587 0.5890
247.0198 0.5670
247.6872 0.5333
251.4198 0.6234
253.8004 0.3898
256.5957 0.5722
258.8603 0.4510
259.2927 0.3033
260.0646 0.5372
262.9503 0.3237
265.2273 0.4873
266.8892 0.3796
getting mode 7
running: ../../bin/get_modes.sh 2604281213322860870 7 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.7.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 2604281213322860870.7.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 2604281213322860870.7.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 2604281213322860870 8 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.8.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 2604281213322860870.8.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 2604281213322860870.8.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 2604281213322860870 9 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.9.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 2604281213322860870.9.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 2604281213322860870.9.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 2604281213322860870 10 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.10.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 2604281213322860870.10.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 2604281213322860870.10.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 2604281213322860870 11 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.11.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 2604281213322860870.11.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 2604281213322860870.11.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 2604281213322860870 12 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.12.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 2604281213322860870.12.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 2604281213322860870.12.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 2604281213322860870 13 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.13.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 2604281213322860870.13.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 2604281213322860870.13.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 2604281213322860870 14 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.14.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 2604281213322860870.14.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 2604281213322860870.14.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 2604281213322860870 15 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.15.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 2604281213322860870.15.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 2604281213322860870.15.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 2604281213322860870 16 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=0
2604281213322860870.eigenfacs
2604281213322860870.atom
calculating perturbed structure for DQ=20
2604281213322860870.eigenfacs
2604281213322860870.atom
making animated gifs
3 models are in 2604281213322860870.16.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 2604281213322860870.16.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 2604281213322860870.16.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
2604281213322860870.10.pdb
2604281213322860870.11.pdb
2604281213322860870.12.pdb
2604281213322860870.13.pdb
2604281213322860870.14.pdb
2604281213322860870.15.pdb
2604281213322860870.16.pdb
2604281213322860870.7.pdb
2604281213322860870.8.pdb
2604281213322860870.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m1.278s
user 0m1.264s
sys 0m0.014s
rm: cannot remove '2604281213322860870.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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