*** Open cuttoff8 ***
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 = 2604281239072867947.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 2604281239072867947.atom to be opened.
Openam> File opened: 2604281239072867947.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 5.9021 % Filled.
Pdbmat> 25716 non-zero elements.
Pdbmat> 2650 atom-atom interactions.
Pdbmat> Number per atom= 17.04 +/- 5.31
Maximum number = 34
Minimum number = 7
Pdbmat> Matrix trace = 53000.0
Pdbmat> Larger element = 121.333
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 = 2604281239072867947.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 2604281239072867947.atom to be opened.
Openam> file on opening on unit 11:
2604281239072867947.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> 25794 matrix lines read.
Prepmat> Matrix order = 933
Prepmat> Matrix trace = 53000.0000
Prepmat> Last element read: 933 933 49.7986
Prepmat> 3082 lines saved.
Prepmat> 2579 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 = 23048.1731
RTB> 16902 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: 16902
Diagstd> Projected matrix trace = 23048.1731
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 = 23048.1731
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 0.2525233 0.3625462 0.6419664 0.7236634
0.8160720 0.9375452 1.1884236 1.3747114 1.7867580
1.9322995 1.9583620 1.9893576 2.2045960 2.4375015
2.4925891 2.7450817 2.8481262 3.1575299 3.2130861
3.5833725 3.6828545 3.8044198 3.9858339 4.1287281
4.4714596 4.7243271 4.9245580 5.1081622 5.2425466
5.4132507 5.4764323 5.6045994 5.7394407 5.8279866
6.0515562 6.4439929 6.4979538 6.5975478 6.7649493
7.1117598 7.1808867 7.5222762 7.8659961 8.0915226
8.5214892 8.8721625 9.1198204 9.3804323 9.4839371
9.7673667 9.8631186 10.1668800 10.2392432 10.4168864
10.7173186 10.8897454 10.9446274 11.0319872 11.3892344
11.5104564 11.6661681 11.8786039 12.0928707 12.5667199
12.6931635 13.1472002 13.5207200 13.7647284 13.9451225
14.0639547 14.2749219 14.5240316 14.8080024 14.9658184
15.0771513 15.2267876 15.2715279 15.5181361 15.7372058
16.0237362 16.1026377 16.3362907 16.6628481 16.8427132
17.0522988 17.1812169 17.3048563 17.6702149 17.8064890
17.9298128 18.1205259 18.2788343 18.4246468 18.5859317
18.7231205 18.9537788 19.0090711 19.3211151 19.7409617
19.7896598
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034336 0.0034337 0.0034338 0.0034340 0.0034341
0.0034341 54.5690001 65.3848249 87.0064481 92.3769412
98.0978570 105.1456683 118.3807053 127.3212950 145.1537109
150.9497866 151.9643676 153.1622383 161.2351748 169.5382629
171.4433435 179.9172974 183.2630446 192.9607677 194.6509219
205.5612534 208.3951285 211.8066037 216.7978039 220.6497411
229.6254046 236.0289421 240.9788401 245.4299838 248.6373856
252.6529358 254.1230979 257.0795728 260.1537366 262.1528323
267.1337846 275.6593992 276.8111556 278.9244282 282.4408778
289.5901738 290.9941888 297.8310125 304.5594957 308.8946633
316.9954507 323.4521357 327.9354922 332.5881005 334.4179752
339.3782663 341.0377139 346.2494797 347.4795175 350.4808103
355.4989733 358.3473062 359.2491682 360.6800780 366.4734747
368.4186035 370.9021883 374.2639362 377.6243457 384.9517060
386.8835080 393.7421592 399.2962112 402.8831500 405.5145548
407.2386696 410.2817043 413.8461051 417.8722374 420.0930692
421.6527401 423.7399640 424.3620367 427.7746630 430.7835313
434.6875217 435.7564169 438.9064947 443.2715898 445.6575899
448.4218311 450.1137097 451.7303590 456.4741575 458.2309597
459.8150243 462.2540018 464.2688309 466.1169176 468.1526102
469.8772258 472.7626783 473.4517522 477.3219147 482.4801304
483.0748690
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: 9.9979E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2525
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3625
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.6420
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.7237
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.8161
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.9375
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.188
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.375
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.787
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.932
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.958
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.989
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.205
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.438
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.493
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.745
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.848
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.158
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.213
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.583
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.683
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.804
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.986
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.129
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.471
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.724
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.925
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.108
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.243
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.413
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 5.476
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.605
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 5.739
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.828
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.052
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.444
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 6.498
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 6.598
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 6.765
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 7.112
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 7.181
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 7.522
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 7.866
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 8.092
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 8.521
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 8.872
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 9.120
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 9.380
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 9.484
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 9.767
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 9.863
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 10.17
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 10.24
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 10.42
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 10.72
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 10.89
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 10.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 11.03
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 11.67
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 12.57
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 12.69
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 13.52
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 13.76
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 13.95
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 14.06
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 14.27
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 14.97
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 15.08
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 15.23
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 15.27
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 15.52
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 15.74
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 16.10
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 16.34
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 16.66
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 17.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 17.18
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 17.30
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 17.81
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 17.93
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 18.12
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 18.28
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 18.59
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 18.72
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 18.95
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 19.01
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 19.32
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 19.79
Rtb_to_modes> 106 vectors, with 468 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99999 0.99999 0.99999
0.99998 0.99999 0.99999 1.00000 1.00001
0.99999 1.00001 1.00002 0.99999 0.99999
1.00001 0.99998 1.00001 1.00002 1.00002
1.00000 0.99997 0.99998 1.00002 0.99995
1.00003 1.00004 1.00000 0.99999 0.99999
0.99998 1.00000 1.00003 1.00004 1.00000
1.00000 0.99999 1.00003 1.00001 1.00003
1.00006 1.00003 0.99999 1.00003 1.00003
0.99999 0.99997 1.00001 1.00000 1.00001
1.00001 1.00000 0.99999 0.99997 0.99999
1.00001 1.00001 1.00001 0.99997 1.00000
0.99997 1.00002 1.00000 0.99997 0.99998
0.99997 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 0.99999 1.00000 0.99999
0.99999 1.00001 0.99999 0.99997 1.00001
0.99999 1.00001 0.99997 1.00003 0.99996
1.00000 1.00000 0.99999 1.00000 0.99997
1.00002 1.00001 1.00000 0.99998 1.00000
1.00001 0.99999 1.00002 1.00004 1.00001
1.00000 0.99996 1.00002 0.99997 1.00001
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):
1.00000 0.99999 0.99999 0.99999 0.99999
0.99998 0.99999 0.99999 1.00000 1.00001
0.99999 1.00001 1.00002 0.99999 0.99999
1.00001 0.99998 1.00001 1.00002 1.00002
1.00000 0.99997 0.99998 1.00002 0.99995
1.00003 1.00004 1.00000 0.99999 0.99999
0.99998 1.00000 1.00003 1.00004 1.00000
1.00000 0.99999 1.00003 1.00001 1.00003
1.00006 1.00003 0.99999 1.00003 1.00003
0.99999 0.99997 1.00001 1.00000 1.00001
1.00001 1.00000 0.99999 0.99997 0.99999
1.00001 1.00001 1.00001 0.99997 1.00000
0.99997 1.00002 1.00000 0.99997 0.99998
0.99997 1.00000 1.00001 1.00001 0.99999
0.99999 1.00001 0.99999 1.00000 0.99999
0.99999 1.00001 0.99999 0.99997 1.00001
0.99999 1.00001 0.99997 1.00003 0.99996
1.00000 1.00000 0.99999 1.00000 0.99997
1.00002 1.00001 1.00000 0.99998 1.00000
1.00001 0.99999 1.00002 1.00004 1.00001
1.00000 0.99996 1.00002 0.99997 1.00001
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> 2604281239072867947.eigenfacs
Openam> file on opening on unit 10:
2604281239072867947.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604281239072867947.atom
Openam> file on opening on unit 11:
2604281239072867947.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: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-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: 1.0001E-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: 0.2525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3625
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.989
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.476
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.605
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 6.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 6.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.181
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 7.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 7.866
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 8.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 10.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 10.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 10.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 15.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 17.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 19.79
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 : 0.252500
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= 0.647 for 311 C-alpha atoms.
Bfactors> = 1.349 +/- 1.04
Bfactors> = 23.956 +/- 10.09
Bfactors> Shiftng-fct= 22.607
Bfactors> Scaling-fct= 9.692
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604281239072867947.eigenfacs
Openam> file on opening on unit 10:
2604281239072867947.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-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: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-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: 54.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 65.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 87.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 92.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 98.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 118.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 127.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 145.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 150.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 151.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 153.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 161.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 169.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 171.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 179.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 183.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 193.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 194.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 205.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 208.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 211.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 216.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 220.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 229.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 236.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 241.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 245.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 248.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 252.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 254.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 257.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 260.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 262.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 267.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 275.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 276.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 278.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 282.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 289.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 291.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 297.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 304.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 308.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 317.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 323.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 327.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 332.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 334.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 339.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 341.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 346.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 347.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 350.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 355.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 358.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 359.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 360.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 366.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 368.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 370.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 374.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 377.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 385.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 386.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 393.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 399.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 402.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 405.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 407.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 410.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 413.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 417.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 420.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 421.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 423.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 424.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 427.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 430.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 434.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 435.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 438.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 443.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 445.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 448.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 450.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 451.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 456.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 458.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 459.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 462.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 464.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 466.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 468.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 469.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 472.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 473.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 477.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 482.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 483.1
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 27 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 41 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 64 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 99 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7169
0.0034 0.7365
0.0034 0.7303
0.0034 0.9384
0.0034 0.6948
0.0034 0.8845
54.5641 0.6923
65.3779 0.7317
87.0050 0.4724
92.3753 0.5009
98.0953 0.4762
105.1386 0.4147
118.3545 0.4526
127.3292 0.4673
145.1573 0.2163
150.9316 0.5366
151.9438 0.3840
153.1419 0.5905
161.2430 0.4678
169.5483 0.3216
171.4501 0.4829
179.9069 0.5852
183.2511 0.3853
192.9668 0.4920
194.6400 0.3104
205.5417 0.3873
208.3903 0.1068
211.7858 0.2278
216.7930 0.5225
220.6475 0.3665
229.6037 0.4668
236.0106 0.4576
240.9793 0.2707
245.4156 0.5259
248.6375 0.4397
252.6362 0.2277
254.1022 0.5313
257.0777 0.3339
260.1326 0.4661
262.1419 0.5300
267.1321 0.4462
275.6477 0.5309
276.8003 0.4738
278.9220 0.5360
282.4298 0.4495
289.5826 0.5064
290.9840 0.6665
297.8128 0.5239
304.5465 0.4960
308.8905 0.5723
316.9727 0.4869
323.4353 0.0806
327.9246 0.4753
332.5662 0.5203
334.4047 0.5145
339.3573 0.4016
341.0210 0.3896
346.2877 0.4296
347.4774 0.3914
350.5181 0.5054
355.5282 0.5311
358.3361 0.3469
359.1578 0.4595
360.6321 0.4209
366.4701 0.4977
368.3955 0.5066
370.9472 0.4062
374.2699 0.3984
377.5633 0.5733
384.9854 0.5319
386.8187 0.5450
393.7672 0.5457
399.2684 0.5530
402.7967 0.4909
405.5681 0.5420
407.1639 0.4958
410.1934 0.3213
413.7709 0.4541
417.8825 0.5181
420.1337 0.4551
421.6745 0.5797
423.7665 0.4365
424.3226 0.4511
427.7820 0.4777
430.8033 0.4771
434.6182 0.4691
435.7020 0.5105
438.9375 0.5571
443.2147 0.4805
445.6026 0.5747
448.3724 0.4850
450.0784 0.4196
451.6476 0.5748
456.4518 0.5262
458.2565 0.5656
459.7977 0.4492
462.2275 0.4596
464.2637 0.4757
466.0381 0.2556
468.1837 0.5815
469.8179 0.5393
472.6953 0.4089
473.4430 0.4295
477.2877 0.5381
482.4477 0.5831
483.0583 0.4564
getting mode 7
running: ../../bin/get_modes.sh 2604281239072867947 7 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.7.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 2604281239072867947.7.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 2604281239072867947.7.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 2604281239072867947 8 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.8.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 2604281239072867947.8.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 2604281239072867947.8.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 2604281239072867947 9 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.9.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 2604281239072867947.9.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 2604281239072867947.9.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 2604281239072867947 10 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.10.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 2604281239072867947.10.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 2604281239072867947.10.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 2604281239072867947 11 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.11.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 2604281239072867947.11.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 2604281239072867947.11.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 2604281239072867947 12 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.12.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 2604281239072867947.12.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 2604281239072867947.12.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 2604281239072867947 13 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.13.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 2604281239072867947.13.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 2604281239072867947.13.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 2604281239072867947 14 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.14.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 2604281239072867947.14.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 2604281239072867947.14.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 2604281239072867947 15 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.15.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 2604281239072867947.15.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 2604281239072867947.15.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 2604281239072867947 16 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=0
2604281239072867947.eigenfacs
2604281239072867947.atom
calculating perturbed structure for DQ=20
2604281239072867947.eigenfacs
2604281239072867947.atom
making animated gifs
3 models are in 2604281239072867947.16.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 2604281239072867947.16.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 2604281239072867947.16.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
2604281239072867947.10.pdb
2604281239072867947.11.pdb
2604281239072867947.12.pdb
2604281239072867947.13.pdb
2604281239072867947.14.pdb
2604281239072867947.15.pdb
2604281239072867947.16.pdb
2604281239072867947.7.pdb
2604281239072867947.8.pdb
2604281239072867947.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m1.570s
user 0m1.552s
sys 0m0.017s
rm: cannot remove '2604281239072867947.sdijf': No such file or directory
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
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
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
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
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
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
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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
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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