*** LAO_open_cutoff8 ***
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 = 260611150511729176.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 260611150511729176.atom to be opened.
Openam> File opened: 260611150511729176.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 238
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 31.502311 +/- 9.641772 From: 10.769000 To: 51.051000
= 58.933408 +/- 9.697325 From: 36.383000 To: 80.091000
= 27.498916 +/- 13.258228 From: 3.670000 To: 55.185000
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 4.6228 % Filled.
Pdbmat> 11800 non-zero elements.
Pdbmat> 1153 atom-atom interactions.
Pdbmat> Number per atom= 9.69 +/- 2.69
Maximum number = 17
Minimum number = 2
Pdbmat> Matrix trace = 23060.0
Pdbmat> Larger element = 71.1436
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 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 = 260611150511729176.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 260611150511729176.atom to be opened.
Openam> file on opening on unit 11:
260611150511729176.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 238 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> 238 residues.
%Blocpdb-Wn> 2 atoms in block 1 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 2th, in residue A 2
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 1
Block first atom: 1
%Blocpdb-Wn> 2 atoms in block 2 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 6th, in residue A 6
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 2
Block first atom: 5
%Blocpdb-Wn> 2 atoms in block 3 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 10th, in residue A 10
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 3
Block first atom: 9
%Blocpdb-Wn> 2 atoms in block 4 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 14th, in residue A 14
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 4
Block first atom: 13
%Blocpdb-Wn> 2 atoms in block 5 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 18th, in residue A 18
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 5
Block first atom: 17
%Blocpdb-Wn> 2 atoms in block 6 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 22th, in residue A 22
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 6
Block first atom: 21
%Blocpdb-Wn> 2 atoms in block 7 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 26th, in residue A 26
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 7
Block first atom: 25
%Blocpdb-Wn> 2 atoms in block 8 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 30th, in residue A 30
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 8
Block first atom: 29
%Blocpdb-Wn> 2 atoms in block 9 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 34th, in residue A 34
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 9
Block first atom: 33
%Blocpdb-Wn> 2 atoms in block 10 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 38th, in residue A 38
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 10
Block first atom: 37
%Blocpdb-Wn> 2 atoms in block 11 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 42th, in residue A 42
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 11
Block first atom: 41
%Blocpdb-Wn> 2 atoms in block 12 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 46th, in residue A 46
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 12
Block first atom: 45
%Blocpdb-Wn> 2 atoms in block 13 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 50th, in residue A 50
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 13
Block first atom: 49
%Blocpdb-Wn> 2 atoms in block 14 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 54th, in residue A 54
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 14
Block first atom: 53
%Blocpdb-Wn> 2 atoms in block 15 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 58th, in residue A 58
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 15
Block first atom: 57
%Blocpdb-Wn> 2 atoms in block 16 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 62th, in residue A 62
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 16
Block first atom: 61
%Blocpdb-Wn> 2 atoms in block 17 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 66th, in residue A 66
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 17
Block first atom: 65
%Blocpdb-Wn> 2 atoms in block 18 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 70th, in residue A 70
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 18
Block first atom: 69
%Blocpdb-Wn> 2 atoms in block 19 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 74th, in residue A 74
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 19
Block first atom: 73
%Blocpdb-Wn> 2 atoms in block 20 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 78th, in residue A 78
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 20
Block first atom: 77
%Blocpdb-Wn> 2 atoms in block 21 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 82th, in residue A 82
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 21
Block first atom: 81
%Blocpdb-Wn> 2 atoms in block 22 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 86th, in residue A 86
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 22
Block first atom: 85
%Blocpdb-Wn> 2 atoms in block 23 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 90th, in residue A 90
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 23
Block first atom: 89
%Blocpdb-Wn> 2 atoms in block 24 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 94th, in residue A 94
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 24
Block first atom: 93
%Blocpdb-Wn> 2 atoms in block 25 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 98th, in residue A 98
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 25
Block first atom: 97
%Blocpdb-Wn> 2 atoms in block 26 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 102th, in residue A 102
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 26
Block first atom: 101
%Blocpdb-Wn> 2 atoms in block 27 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 106th, in residue A 106
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 27
Block first atom: 105
%Blocpdb-Wn> 2 atoms in block 28 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 110th, in residue A 110
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 28
Block first atom: 109
%Blocpdb-Wn> 2 atoms in block 29 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 114th, in residue A 114
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 29
Block first atom: 113
%Blocpdb-Wn> 2 atoms in block 30 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 118th, in residue A 118
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 30
Block first atom: 117
%Blocpdb-Wn> 2 atoms in block 31 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 122th, in residue A 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 31
Block first atom: 121
%Blocpdb-Wn> 2 atoms in block 32 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 126th, in residue A 126
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 32
Block first atom: 125
%Blocpdb-Wn> 2 atoms in block 33 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 130th, in residue A 130
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 33
Block first atom: 129
%Blocpdb-Wn> 2 atoms in block 34 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 134th, in residue A 134
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 34
Block first atom: 133
%Blocpdb-Wn> 2 atoms in block 35 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 138th, in residue A 138
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 35
Block first atom: 137
%Blocpdb-Wn> 2 atoms in block 36 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 142th, in residue A 142
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 36
Block first atom: 141
%Blocpdb-Wn> 2 atoms in block 37 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 146th, in residue A 146
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 37
Block first atom: 145
%Blocpdb-Wn> 2 atoms in block 38 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 150th, in residue A 150
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 38
Block first atom: 149
%Blocpdb-Wn> 2 atoms in block 39 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 154th, in residue A 154
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 39
Block first atom: 153
%Blocpdb-Wn> 2 atoms in block 40 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 158th, in residue A 158
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 40
Block first atom: 157
%Blocpdb-Wn> 2 atoms in block 41 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 162th, in residue A 162
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 41
Block first atom: 161
%Blocpdb-Wn> 2 atoms in block 42 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 166th, in residue A 166
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 42
Block first atom: 165
%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 170th, in residue A 170
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 43
Block first atom: 169
%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 174th, in residue A 174
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 44
Block first atom: 173
%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 178th, in residue A 178
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 45
Block first atom: 177
%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 182th, in residue A 182
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 46
Block first atom: 181
%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 186th, in residue A 186
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 47
Block first atom: 185
%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 190th, in residue A 190
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 48
Block first atom: 189
%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 194th, in residue A 194
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 49
Block first atom: 193
%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 198th, in residue A 198
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 50
Block first atom: 197
%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 202th, in residue A 202
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 51
Block first atom: 201
%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 206th, in residue A 206
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 52
Block first atom: 205
%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 210th, in residue A 210
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 53
Block first atom: 209
%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 214th, in residue A 214
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 54
Block first atom: 213
%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 218th, in residue A 218
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 55
Block first atom: 217
%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 222th, in residue A 222
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 56
Block first atom: 221
%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 226th, in residue A 226
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 57
Block first atom: 225
%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 230th, in residue A 230
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 58
Block first atom: 229
%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 234th, in residue A 234
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 59
Block first atom: 233
%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 238th, in residue A 238
%Blocpdb-Wn> It is merged with last block.
Blocpdb> 59 blocks.
Blocpdb> At most, 6 atoms in each of them.
Blocpdb> At least, 4 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 11859 matrix lines read.
Prepmat> Matrix order = 714
Prepmat> Matrix trace = 23060.0000
Prepmat> Last element read: 714 714 3.8233
Prepmat> 1771 lines saved.
Prepmat> 1528 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: 238
RTB> Total mass = 238.0000
RTB> Number of atoms found in matrix: 238
RTB> Number of blocks = 59
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 8818.5033
RTB> 7827 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 = 354
Diagstd> Nb of non-zero elements: 7827
Diagstd> Projected matrix trace = 8818.5033
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 354 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 8818.5033
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 0.0144507 0.0167947 0.0641134 0.1913849
0.2116636 0.2530289 0.2997443 0.3368137 0.3828708
0.4051008 0.4559463 0.5399785 0.5880037 0.6101942
0.7508487 0.7975597 0.8196956 0.8392124 1.0103670
1.0494843 1.1855155 1.1904772 1.3111644 1.3886978
1.4911054 1.5876507 1.7362105 1.7810782 1.8522592
1.9151833 2.1455396 2.2269310 2.2998180 2.3536840
2.3921265 2.5980244 2.6231176 2.7026618 2.8980873
2.9440812 3.0533323 3.1388293 3.1571319 3.2244971
3.3111200 3.4442194 3.6300246 3.6763836 3.7150181
3.9281855 4.0653784 4.1375051 4.2861086 4.3155086
4.4031952 4.6551291 4.8236238 4.9422222 5.0041499
5.2395338 5.3777477 5.4867393 5.6064021 5.6504059
5.6992625 5.8984257 6.1629848 6.2991378 6.3139237
6.4875250 6.5549032 6.6372103 6.8120000 6.8524186
7.0058227 7.0610846 7.2774239 7.4773093 7.6126164
7.8285011 7.8722129 7.9527285 8.1426924 8.2865706
8.3056493 8.4229144 8.4560477 8.6435852 8.6604095
8.8348464 8.9825193 9.1064978 9.1982386 9.3616142
9.3908769 9.4747792 9.5880048 9.8933578 10.2557911
10.3034991
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034336 0.0034338 0.0034339 0.0034339 0.0034340
0.0034340 13.0538738 14.0728392 27.4960193 47.5060661
49.9595294 54.6236008 59.4525864 63.0217013 67.1925918
69.1157206 73.3250132 79.7964401 83.2693777 84.8260621
94.0960698 96.9788168 98.3154071 99.4789568 109.1527964
111.2457027 118.2357717 118.4829394 124.3437186 127.9673420
132.6018110 136.8272990 143.0857764 144.9228176 147.7903783
150.2797461 159.0609400 162.0498606 164.6804383 166.5978385
167.9528387 175.0317748 175.8750204 178.5217471 184.8634322
186.3245905 189.7502316 192.3885093 192.9486059 194.9962587
197.5980886 201.5304540 206.8950329 208.2119687 209.3031416
215.2242858 218.9504123 220.8841480 224.8158179 225.5855487
227.8658529 234.2939888 238.4964917 241.4106442 242.9184121
248.5659319 251.8230578 254.3621248 257.1209129 258.1279913
259.2415501 263.7323090 269.5819612 272.5435032 272.8631852
276.5889361 278.0215252 279.7615785 283.4213745 284.2609635
287.4252070 288.5565833 292.9436689 296.9394871 299.6141049
303.8327536 304.6798232 306.2339655 309.8698303 312.5954818
312.9551300 315.1566488 315.7759078 319.2583315 319.5688904
322.7712040 325.4575568 327.6958742 329.3423762 332.2543308
332.7732091 334.2564753 336.2477618 341.5601053 347.7601886
348.5681075
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 238
Rtb_to_modes> Number of blocs = 59
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: 9.9977E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.4451E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.6795E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.4113E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1914
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2117
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2530
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2997
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3368
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3829
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4051
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4559
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.5400
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5880
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6102
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.7508
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7976
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8197
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.8392
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.010
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.049
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.186
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.190
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.311
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.389
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.491
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.588
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.736
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.781
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.852
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.915
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.146
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.227
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.300
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.354
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.392
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.598
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.623
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.703
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.898
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.944
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.053
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.139
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.157
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.224
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.311
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.444
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 3.630
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.676
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.715
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 3.928
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.065
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.138
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.286
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.316
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.403
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.655
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.824
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 4.942
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.004
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.240
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.378
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.487
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 5.606
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 5.650
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 5.699
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 5.898
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.163
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 6.299
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 6.314
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 6.488
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 6.555
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 6.637
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 6.812
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 6.852
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 7.006
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 7.061
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 7.277
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 7.477
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 7.613
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 7.829
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 7.872
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 7.953
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 8.143
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 8.287
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 8.306
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 8.423
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 8.456
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.644
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.660
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 8.835
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 8.983
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 9.106
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 9.198
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 9.362
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 9.391
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 9.475
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 9.588
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 9.893
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 10.30
Rtb_to_modes> 106 vectors, with 354 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 0.99998 1.00000 0.99998 1.00000
1.00000 1.00002 1.00001 0.99998 0.99998
0.99998 1.00000 1.00002 0.99995 0.99999
0.99997 1.00002 1.00003 0.99999 1.00000
1.00003 1.00000 1.00000 1.00001 1.00002
1.00002 1.00003 0.99999 1.00000 1.00001
1.00004 1.00001 1.00001 1.00001 1.00002
1.00000 0.99999 1.00004 1.00001 0.99995
1.00000 1.00004 1.00000 0.99996 1.00002
1.00000 0.99997 1.00002 1.00001 1.00000
0.99998 1.00001 1.00000 0.99998 1.00000
0.99998 0.99996 0.99998 1.00000 0.99999
0.99998 0.99998 1.00002 0.99999 1.00000
1.00007 0.99997 1.00000 0.99998 0.99999
0.99999 1.00000 0.99997 1.00004 1.00000
0.99995 1.00002 1.00003 0.99997 0.99999
0.99999 1.00000 1.00000 0.99997 1.00000
0.99998 1.00001 0.99998 1.00002 1.00000
1.00002 0.99996 0.99997 0.99999 1.00004
0.99998 1.00003 1.00003 1.00000 0.99999
0.99998 1.00003 1.00000 0.99999 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 4284 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99997 0.99998 1.00000 0.99998 1.00000
1.00000 1.00002 1.00001 0.99998 0.99998
0.99998 1.00000 1.00002 0.99995 0.99999
0.99997 1.00002 1.00003 0.99999 1.00000
1.00003 1.00000 1.00000 1.00001 1.00002
1.00002 1.00003 0.99999 1.00000 1.00001
1.00004 1.00001 1.00001 1.00001 1.00002
1.00000 0.99999 1.00004 1.00001 0.99995
1.00000 1.00004 1.00000 0.99996 1.00002
1.00000 0.99997 1.00002 1.00001 1.00000
0.99998 1.00001 1.00000 0.99998 1.00000
0.99998 0.99996 0.99998 1.00000 0.99999
0.99998 0.99998 1.00002 0.99999 1.00000
1.00007 0.99997 1.00000 0.99998 0.99999
0.99999 1.00000 0.99997 1.00004 1.00000
0.99995 1.00002 1.00003 0.99997 0.99999
0.99999 1.00000 1.00000 0.99997 1.00000
0.99998 1.00001 0.99998 1.00002 1.00000
1.00002 0.99996 0.99997 0.99999 1.00004
0.99998 1.00003 1.00003 1.00000 0.99999
0.99998 1.00003 1.00000 0.99999 0.99998
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6: 0.000-0.000-0.000 0.000-0.000
Vector 7: 0.000-0.000-0.000 0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000-0.000 0.000-0.000 0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000-0.000 0.000-0.000
Vector 10:-0.000-0.000-0.000-0.000 0.000 0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 260611150511729176.eigenfacs
Openam> file on opening on unit 10:
260611150511729176.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 260611150511729176.atom
Openam> file on opening on unit 11:
260611150511729176.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 238
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: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4451E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6795E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.4113E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2530
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.049
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.491
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.598
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 3.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.655
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 4.942
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.378
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 5.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 5.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 5.699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 5.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 6.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 6.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 6.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 6.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 6.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 6.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 6.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 7.006
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 7.061
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 7.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 7.477
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 7.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 7.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 7.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 7.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 8.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 8.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 8.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 8.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 8.456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.644
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 8.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 8.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.588
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 9.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 10.30
Bfactors> 106 vectors, 714 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 : 0.014451
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= 0.675 for 238 C-alpha atoms.
Bfactors> = 13.383 +/- 9.53
Bfactors> = 30.859 +/- 7.22
Bfactors> Shiftng-fct= 17.476
Bfactors> Scaling-fct= 0.758
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 260611150511729176.eigenfacs
Openam> file on opening on unit 10:
260611150511729176.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 13.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 14.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 27.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 47.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 49.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 54.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 59.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 63.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 67.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 69.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 73.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 79.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 83.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 84.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 94.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 96.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 98.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 99.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 109.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 118.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 124.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 128.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 132.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 136.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 143.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 144.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 147.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 150.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 159.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 162.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 164.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 166.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 167.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 175.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 175.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 178.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 184.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 186.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 189.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 192.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 192.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 195.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 197.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 201.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 206.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 209.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 215.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 218.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 220.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 224.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 225.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 227.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 234.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 238.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 241.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 242.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 248.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 251.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 254.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 257.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 258.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 259.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 263.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 269.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 272.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 272.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 276.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 278.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 279.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 283.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 284.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 287.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 288.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 292.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 296.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 299.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 303.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 304.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 306.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 309.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 312.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 312.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 315.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 315.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 319.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 319.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 322.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 325.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 327.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 329.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 332.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 332.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 334.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 336.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 341.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 347.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 348.5
Chkmod> 106 vectors, 714 coordinates in file.
Chkmod> That is: 238 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 31 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 38 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 44 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 66 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 76 is: 0.9998 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7495
0.0034 0.9596
0.0034 0.6763
0.0034 0.8367
0.0034 0.9087
0.0034 0.8330
13.0535 0.7212
14.0724 0.6639
27.4947 0.6970
47.5059 0.3027
49.9617 0.5047
54.6181 0.2036
59.4456 0.4845
63.0177 0.4186
67.1923 0.2058
69.1127 0.1282
73.3181 0.2233
79.7946 0.2457
83.2655 0.3990
84.8228 0.4706
94.0890 0.2864
96.9771 0.5662
98.3115 0.4552
99.4740 0.6136
109.1283 0.4320
111.2153 0.4687
118.2549 0.4728
118.4541 0.3402
124.3306 0.4837
127.9758 0.5452
132.5914 0.5820
136.8365 0.6337
143.0710 0.4798
144.9134 0.3497
147.7737 0.4393
150.2661 0.5208
159.0712 0.6215
162.0454 0.2553
164.6799 0.4027
166.6019 0.3971
167.9412 0.5099
175.0234 0.6291
175.8635 0.5908
178.5253 0.4869
184.8527 0.3859
186.3140 0.5946
189.7318 0.5970
192.3855 0.1647
192.9363 0.5335
194.9729 0.5162
197.5860 0.5938
201.5154 0.5360
206.8855 0.2853
208.1922 0.4888
209.2936 0.5776
215.2100 0.4858
218.9308 0.4171
220.8879 0.4787
224.8033 0.5070
225.5887 0.5671
227.8510 0.5729
234.2807 0.3949
238.4956 0.4515
241.3949 0.5166
242.9043 0.3930
248.5663 0.3016
251.8182 0.4964
254.3572 0.4880
257.1007 0.3425
258.1076 0.3994
259.2245 0.4742
263.7115 0.4611
269.5707 0.5301
272.5288 0.5522
272.8531 0.3328
276.5872 0.3617
278.0116 0.4585
279.7451 0.4669
283.4092 0.3733
284.2401 0.5480
287.4165 0.3794
288.5425 0.3731
292.9226 0.6116
296.9206 0.5622
299.6088 0.3877
303.8294 0.5553
304.6626 0.4392
306.2260 0.3768
309.8624 0.3329
312.5902 0.6744
312.9483 0.3966
315.1447 0.3595
315.7615 0.3912
319.2523 0.5023
319.5476 0.3614
322.7602 0.6177
325.4523 0.4266
327.6729 0.5456
329.3240 0.5529
332.2469 0.5546
332.7611 0.4393
334.2460 0.5300
336.2332 0.5158
341.5393 0.5054
347.8166 0.5997
348.4940 0.6496
getting mode 7
running: ../../bin/get_modes.sh 260611150511729176 7 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 260611150511729176 8 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 260611150511729176 9 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 260611150511729176 10 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 260611150511729176 11 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 260611150511729176 12 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 260611150511729176 13 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 260611150511729176 14 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 260611150511729176 15 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 260611150511729176 16 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=-10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=0
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=10
260611150511729176.eigenfacs
260611150511729176.atom
calculating perturbed structure for DQ=20
260611150511729176.eigenfacs
260611150511729176.atom
making animated gifs
5 models are in 260611150511729176.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 260611150511729176.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
260611150511729176.10.pdb
260611150511729176.11.pdb
260611150511729176.12.pdb
260611150511729176.13.pdb
260611150511729176.14.pdb
260611150511729176.15.pdb
260611150511729176.16.pdb
260611150511729176.7.pdb
260611150511729176.8.pdb
260611150511729176.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m0.676s
user 0m0.662s
sys 0m0.014s
rm: cannot remove '260611150511729176.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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