*** LAO_open_cutoff10 ***
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 = 260611153026762865.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 260611153026762865.atom to be opened.
Openam> File opened: 260611153026762865.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 7.9125 % Filled.
Pdbmat> 20197 non-zero elements.
Pdbmat> 2086 atom-atom interactions.
Pdbmat> Number per atom= 17.53 +/- 5.30
Maximum number = 32
Minimum number = 6
Pdbmat> Matrix trace = 41720.0
Pdbmat> Larger element = 114.595
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 = 260611153026762865.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 260611153026762865.atom to be opened.
Openam> file on opening on unit 11:
260611153026762865.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> 20256 matrix lines read.
Prepmat> Matrix order = 714
Prepmat> Matrix trace = 41720.0000
Prepmat> Last element read: 714 714 8.9665
Prepmat> 1771 lines saved.
Prepmat> 1399 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 = 17893.9333
RTB> 12471 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: 12471
Diagstd> Projected matrix trace = 17893.9333
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 = 17893.9333
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 0.1694459 0.3101874 0.7222655 1.0109461
1.2712549 1.4948538 1.7275344 2.2023939 2.7110581
2.9897006 3.7425908 4.0322843 4.2462796 4.3674898
4.6124909 5.0693051 5.2603930 5.7246989 6.1147351
6.2621414 6.8486074 6.9767393 7.1539918 7.3828091
7.6541124 7.8177839 8.3883765 8.5314218 8.7448443
9.1876891 9.2794730 9.6153154 10.5551100 10.6665432
10.8139376 11.4142932 11.5900553 11.8680416 11.9705449
12.1244743 12.6307007 12.7002389 12.9981775 13.2283561
13.5287622 13.7524474 14.1301624 14.2129381 14.3740571
14.5119901 14.8741035 15.2176807 15.4322991 15.9649569
16.4244354 16.9101748 17.1654726 17.3418466 17.5849759
18.2671202 18.3487002 18.5952208 18.7973528 19.1736875
19.3811584 19.5933602 19.9013710 20.3344588 20.5124712
20.7023828 20.8408813 21.2364151 21.5684828 21.8144702
22.0789133 22.4559605 23.1583915 23.4498420 23.5130776
23.6449508 23.7766468 24.0394594 24.3765563 24.6616245
24.7629991 25.3814011 25.7102061 25.9339832 26.0101670
26.3809647 26.5034845 26.6935394 27.2985975 27.4341244
28.0378360 28.2529509 28.3914527 28.7913009 29.1623842
29.2761853
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034334 0.0034339 0.0034339 0.0034339 0.0034341
0.0034342 44.7003404 60.4793869 92.2876796 109.1840717
122.4366937 132.7683765 142.7278216 161.1546271 178.7988367
187.7626182 210.0784247 218.0574108 223.7688212 226.9400937
233.2185246 244.4947271 249.0602253 259.8194179 268.5246158
271.7419664 284.1819017 286.8279893 290.4487421 295.0571208
300.4295853 303.6247086 314.5098401 317.1801408 321.1229316
329.1534612 330.7934775 336.7263079 352.7984448 354.6558503
357.0978287 366.8764133 369.6902820 374.0975037 375.7095551
378.1174662 385.9304119 386.9913216 391.5042779 394.9555480
399.4149462 402.7033813 408.1961061 409.3899835 411.7038832
413.6745151 418.8038636 423.6132293 426.5899269 433.8895156
440.0889914 446.5492136 449.9074275 452.2129041 455.3718381
464.1200421 465.1552555 468.2695847 470.8077752 475.4973517
478.0630141 480.6730154 484.4364118 489.6791234 491.8178339
494.0892990 495.7392672 500.4214108 504.3187072 507.1864188
510.2513086 514.5897104 522.5760195 525.8540712 526.5626113
528.0371615 529.5056311 532.4240061 536.1440077 539.2698257
540.3770559 547.0828190 550.6150267 553.0060626 553.8177244
557.7513323 559.0450005 561.0458592 567.3687971 568.7754358
574.9995778 577.2011496 578.6141996 582.6743821 586.4173268
587.5604079
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: 9.9966E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
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: 0.1694
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3102
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.7223
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.011
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.271
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.495
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.728
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.202
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.711
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.990
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.743
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.032
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.246
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.367
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.612
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.069
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.260
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.725
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.115
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.262
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 6.849
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 6.977
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.154
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.383
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 7.654
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 7.818
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.388
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.531
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 8.745
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.188
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.279
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.615
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 10.56
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.81
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.41
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.59
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.87
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.97
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 12.12
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.63
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.70
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.00
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.23
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 13.53
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 14.13
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 14.21
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 14.37
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 14.87
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 15.22
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 15.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 15.96
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 16.91
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 17.17
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 17.34
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 18.27
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 18.35
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 18.60
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 18.80
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 19.38
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 19.90
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 20.33
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 20.51
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 20.70
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 20.84
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 21.81
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 22.08
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 22.46
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 23.16
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 23.51
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 23.64
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 23.78
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 24.04
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 24.38
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 24.66
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 24.76
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 25.38
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 25.71
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 25.93
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 26.01
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 26.38
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 26.50
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 27.30
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 27.43
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 28.04
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 28.39
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 28.79
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 29.16
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 29.28
Rtb_to_modes> 106 vectors, with 354 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99999 0.99998 1.00000 1.00004
0.99999 0.99998 1.00002 0.99999 0.99996
1.00004 1.00003 1.00001 1.00000 1.00000
1.00002 1.00003 1.00003 0.99997 1.00001
1.00002 0.99997 0.99998 0.99999 0.99999
0.99999 1.00004 1.00001 1.00000 1.00001
1.00002 0.99994 0.99999 1.00003 1.00000
1.00000 1.00000 0.99998 1.00001 0.99999
1.00000 1.00000 0.99997 1.00000 0.99998
1.00000 1.00002 0.99999 1.00002 0.99999
0.99999 1.00005 1.00002 1.00000 1.00004
1.00001 0.99997 0.99999 1.00003 1.00000
1.00000 0.99999 1.00002 1.00001 0.99999
1.00000 1.00003 1.00004 1.00001 0.99999
0.99999 1.00000 0.99998 1.00002 1.00002
1.00002 0.99998 0.99998 1.00002 1.00001
1.00001 1.00003 1.00002 1.00003 1.00000
1.00000 0.99998 1.00001 1.00000 0.99999
1.00000 0.99999 0.99999 1.00002 1.00000
0.99999 0.99998 1.00001 0.99996 1.00001
1.00002 1.00001 1.00002 0.99999 1.00002
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):
1.00002 0.99999 0.99998 1.00000 1.00004
0.99999 0.99998 1.00002 0.99999 0.99996
1.00004 1.00003 1.00001 1.00000 1.00000
1.00002 1.00003 1.00003 0.99997 1.00001
1.00002 0.99997 0.99998 0.99999 0.99999
0.99999 1.00004 1.00001 1.00000 1.00001
1.00002 0.99994 0.99999 1.00003 1.00000
1.00000 1.00000 0.99998 1.00001 0.99999
1.00000 1.00000 0.99997 1.00000 0.99998
1.00000 1.00002 0.99999 1.00002 0.99999
0.99999 1.00005 1.00002 1.00000 1.00004
1.00001 0.99997 0.99999 1.00003 1.00000
1.00000 0.99999 1.00002 1.00001 0.99999
1.00000 1.00003 1.00004 1.00001 0.99999
0.99999 1.00000 0.99998 1.00002 1.00002
1.00002 0.99998 0.99998 1.00002 1.00001
1.00001 1.00003 1.00002 1.00003 1.00000
1.00000 0.99998 1.00001 1.00000 0.99999
1.00000 0.99999 0.99999 1.00002 1.00000
0.99999 0.99998 1.00001 0.99996 1.00001
1.00002 1.00001 1.00002 0.99999 1.00002
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> 260611153026762865.eigenfacs
Openam> file on opening on unit 10:
260611153026762865.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 260611153026762865.atom
Openam> file on opening on unit 11:
260611153026762865.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: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-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: 9.9997E-10
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: 0.1694
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7223
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.271
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.115
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 6.849
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 6.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 7.654
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 7.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 8.745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 10.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 12.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 14.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 14.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 15.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 17.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 17.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 19.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 20.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 20.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 21.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 22.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 22.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 23.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 23.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 23.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 23.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 24.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 24.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 24.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 24.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 25.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 25.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 25.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 26.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 26.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 26.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 27.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 27.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 28.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 28.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 28.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 29.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 29.28
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 : 0.169400
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= 0.530 for 238 C-alpha atoms.
Bfactors> = 1.438 +/- 1.20
Bfactors> = 30.859 +/- 7.22
Bfactors> Shiftng-fct= 29.422
Bfactors> Scaling-fct= 5.999
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 260611153026762865.eigenfacs
Openam> file on opening on unit 10:
260611153026762865.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-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: 3.4340E-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: 44.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 60.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 92.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 109.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 132.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 161.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 178.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 187.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 210.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 218.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 223.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 226.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 233.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 244.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 249.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 259.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 268.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 271.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 284.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 286.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 290.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 295.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 300.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 303.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 314.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 317.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 321.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 329.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 330.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 336.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 352.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 354.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 357.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 366.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 369.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 374.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 375.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 378.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 385.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 387.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 391.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 395.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 399.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 402.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 408.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 409.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 411.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 413.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 418.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 423.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 426.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 433.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 440.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 446.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 449.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 452.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 455.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 464.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 465.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 468.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 470.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 475.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 478.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 480.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 484.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 489.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 491.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 494.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 495.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 500.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 504.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 507.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 510.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 514.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 522.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 525.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 526.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 528.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 529.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 532.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 536.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 539.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 540.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 547.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 550.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 552.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 553.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 557.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 559.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 561.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 567.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 568.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 575.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 577.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 578.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 582.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 586.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 587.6
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 11 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 12 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 27 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 32 is: 0.9998 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 38 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 63 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 100 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7505
0.0034 0.8066
0.0034 0.8014
0.0034 0.9781
0.0034 0.8323
0.0034 0.7473
44.6924 0.7462
60.4780 0.6494
92.2859 0.6939
109.1823 0.0421
122.4192 0.6812
132.7692 0.2579
142.7409 0.6822
161.1333 0.6683
178.7892 0.4296
187.7640 0.3377
210.0809 0.4991
218.0404 0.5705
223.7518 0.2556
226.9176 0.3725
233.1961 0.3726
244.4769 0.0483
249.0402 0.5385
259.8151 0.4730
268.5189 0.6433
271.7272 0.2583
284.1778 0.5943
286.8210 0.3637
290.4364 0.5090
295.0483 0.4936
300.4145 0.5737
303.6159 0.2859
314.4893 0.5411
317.1587 0.4000
321.1120 0.5292
329.1449 0.6993
330.7708 0.5703
336.7063 0.3744
352.8650 0.3888
354.6981 0.3946
357.0175 0.5046
366.7917 0.4362
369.6735 0.5518
374.1123 0.2485
375.6849 0.4933
378.0315 0.3645
385.9031 0.5049
386.9711 0.4758
391.5149 0.5094
394.9631 0.6269
399.4161 0.6225
402.6503 0.6079
408.1762 0.3703
409.3301 0.3750
411.6281 0.4587
413.6284 0.5130
418.7281 0.6696
423.6273 0.5408
426.5398 0.5788
433.8035 0.4156
440.0107 0.5788
446.5277 0.4406
449.9474 0.3939
452.1694 0.4994
455.2879 0.5624
464.1367 0.6342
465.1518 0.5831
468.3097 0.4235
470.8207 0.4258
475.4312 0.5316
478.0282 0.4769
480.6112 0.4504
484.3989 0.6516
489.6044 0.5768
491.7671 0.4904
494.0397 0.5075
495.7075 0.4635
500.4422 0.6096
504.3148 0.5415
507.1127 0.4657
510.2420 0.2574
514.6139 0.5868
522.5717 0.2908
525.8333 0.4869
526.5055 0.5023
527.9592 0.4576
529.5202 0.3943
532.4071 0.4524
536.1589 0.5785
539.2289 0.4634
540.3211 0.3256
547.0442 0.4535
550.5892 0.4531
552.9399 0.4737
553.7922 0.4779
557.7172 0.4202
558.9843 0.4706
560.9846 0.4822
567.3590 0.2912
568.7083 0.4392
574.9971 0.5789
577.1462 0.5200
578.5746 0.4890
582.6362 0.5302
586.3682 0.5317
587.5735 0.4751
getting mode 7
running: ../../bin/get_modes.sh 260611153026762865 7 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.7.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 260611153026762865.7.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 260611153026762865.7.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 260611153026762865 8 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.8.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 260611153026762865.8.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 260611153026762865.8.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 260611153026762865 9 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.9.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 260611153026762865.9.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 260611153026762865.9.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 260611153026762865 10 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.10.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 260611153026762865.10.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 260611153026762865.10.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 260611153026762865 11 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.11.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 260611153026762865.11.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 260611153026762865.11.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 260611153026762865 12 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.12.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 260611153026762865.12.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 260611153026762865.12.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 260611153026762865 13 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.13.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 260611153026762865.13.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 260611153026762865.13.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 260611153026762865 14 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.14.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 260611153026762865.14.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 260611153026762865.14.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 260611153026762865 15 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.15.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 260611153026762865.15.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 260611153026762865.15.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 260611153026762865 16 -20 20 10 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=-10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=0
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=10
260611153026762865.eigenfacs
260611153026762865.atom
calculating perturbed structure for DQ=20
260611153026762865.eigenfacs
260611153026762865.atom
making animated gifs
5 models are in 260611153026762865.16.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 260611153026762865.16.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 260611153026762865.16.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
260611153026762865.10.pdb
260611153026762865.11.pdb
260611153026762865.12.pdb
260611153026762865.13.pdb
260611153026762865.14.pdb
260611153026762865.15.pdb
260611153026762865.16.pdb
260611153026762865.7.pdb
260611153026762865.8.pdb
260611153026762865.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m0.817s
user 0m0.808s
sys 0m0.009s
rm: cannot remove '260611153026762865.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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