*** hng ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 24012217345632109.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 24012217345632109.atom to be opened.
Openam> File opened: 24012217345632109.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 = 265
First residue number = 5
Last residue number = 269
Number of atoms found = 286
Mean number per residue = 1.1
Pdbmat> Coordinate statistics:
= -3.210948 +/- 8.585619 From: -19.964000 To: 14.412000
= 29.989643 +/- 9.801058 From: 10.939000 To: 53.254000
= 28.707797 +/- 10.158788 From: 5.600000 To: 51.058000
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 4.9678 % Filled.
Pdbmat> 18307 non-zero elements.
Pdbmat> 1844 atom-atom interactions.
Pdbmat> Number per atom= 12.90 +/- 7.34
Maximum number = 36
Minimum number = 4
Pdbmat> Matrix trace = 36880.0
Pdbmat> Larger element = 179.695
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
265 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 = 24012217345632109.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 24012217345632109.atom to be opened.
Openam> file on opening on unit 11:
24012217345632109.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 286 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> 265 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 6
%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 10
%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 14
%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 18
%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 22
%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 26
%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 30
%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 34
%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 38
%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 42
%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 46
%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 50
%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 54
%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 58
%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 62
%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 66
%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 70
%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 74
%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 78
%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 82
%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 86
%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 90
%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 94
%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 98
%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 102
%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 106
%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 110
%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 114
%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 118
%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 122
%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 126
%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 130
%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 134
%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 138
%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 142
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 9 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 147th, in residue A 146
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 36
Block first atom: 146
%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 151th, in residue A 150
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 37
Block first atom: 150
%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 155th, in residue A 154
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 38
Block first atom: 154
%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 159th, in residue A 158
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 39
Block first atom: 158
%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 163th, in residue A 162
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 40
Block first atom: 162
%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 167th, in residue A 166
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 41
Block first atom: 166
%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 171th, in residue A 170
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 42
Block first atom: 170
%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 175th, in residue A 174
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 43
Block first atom: 174
%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 179th, in residue A 178
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 44
Block first atom: 178
%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 183th, in residue A 182
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 45
Block first atom: 182
%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 187th, in residue A 186
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 46
Block first atom: 186
%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 191th, in residue A 190
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 47
Block first atom: 190
%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 195th, in residue A 194
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 48
Block first atom: 194
%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 199th, in residue A 198
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 49
Block first atom: 198
%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 203th, in residue A 202
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 11 atoms in block 50
Block first atom: 202
%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 214th, in residue A 206
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 51
Block first atom: 213
%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 218th, in residue A 210
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 52
Block first atom: 217
%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 222th, in residue A 214
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 53
Block first atom: 221
%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 226th, in residue A 218
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 54
Block first atom: 225
%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 230th, in residue A 222
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 55
Block first atom: 229
%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 234th, in residue A 226
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 56
Block first atom: 233
%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 238th, in residue A 230
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 57
Block first atom: 237
%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 242th, in residue A 234
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 58
Block first atom: 241
%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 246th, in residue A 238
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 59
Block first atom: 245
%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 250th, in residue A 242
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 60
Block first atom: 249
%Blocpdb-Wn> 2 atoms in block 61 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 254th, in residue A 246
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 61
Block first atom: 253
%Blocpdb-Wn> 2 atoms in block 62 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 258th, in residue A 250
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 62
Block first atom: 257
%Blocpdb-Wn> 2 atoms in block 63 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 262th, in residue A 254
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 63
Block first atom: 261
Blocpdb> 11 atoms in block 64
Block first atom: 265
%Blocpdb-Wn> 2 atoms in block 65 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 277th, in residue A 260
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 65
Block first atom: 276
%Blocpdb-Wn> 2 atoms in block 66 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 281th, in residue A 264
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 66
Block first atom: 280
Blocpdb> 3 atoms in block 67
Block first atom: 283
Blocpdb> 67 blocks.
Blocpdb> At most, 11 atoms in each of them.
Blocpdb> At least, 3 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 18374 matrix lines read.
Prepmat> Matrix order = 858
Prepmat> Matrix trace = 36880.0000
Prepmat> Last element read: 858 858 13.9611
Prepmat> 2279 lines saved.
Prepmat> 1968 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: 286
RTB> Total mass = 286.0000
RTB> Number of atoms found in matrix: 286
RTB> Number of blocks = 67
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 12372.1662
RTB> 10155 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 = 402
Diagstd> Nb of non-zero elements: 10155
Diagstd> Projected matrix trace = 12372.1662
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 402 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 12372.1662
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 0.1972134 0.2291310 0.3287549 0.3650610
0.3950136 0.6039339 0.6443137 0.6732562 0.7570177
0.8122194 0.8488190 0.9235420 1.0262402 1.1264901
1.2054526 1.3251156 1.3677440 1.5149511 1.5671366
1.5920778 1.6714009 1.8234415 1.8500551 1.9454876
2.0461342 2.0840371 2.1920913 2.3160119 2.4002756
2.4988643 2.6255278 2.6447548 2.7426451 2.8751407
2.9314666 3.0885044 3.1027750 3.2104739 3.3177492
3.4418144 3.5350807 3.6184851 3.7010207 3.7850703
3.9661008 4.0336993 4.1992262 4.2960197 4.3915796
4.6005875 4.6357948 4.7763790 4.8086824 4.8217856
4.9575494 4.9969311 5.1317619 5.3893313 5.4503917
5.5778671 5.6356601 5.7288768 5.7929284 5.9267373
5.9957706 6.1564461 6.2352205 6.4017138 6.4508361
6.6074815 6.6346094 6.7218023 6.8690471 6.8981999
7.0062319 7.1114970 7.1886672 7.2540714 7.3986809
7.5927287 7.6875828 7.7094568 7.9475571 8.0744374
8.2389583 8.3561830 8.3954798 8.6389395 8.9297722
9.0848297 9.1942282 9.3933480 9.4289166 9.5285612
9.6558435 9.7362584 9.8089895 10.0170210 10.0907055
10.1608491
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034336 0.0034339 0.0034339 0.0034340
0.0034340 48.2240300 51.9801097 62.2631942 65.6112001
68.2497915 84.3898079 87.1653675 89.1015901 94.4818295
97.8660249 100.0467131 104.3574859 110.0068677 115.2547867
119.2258304 125.0034975 126.9982376 133.6578870 135.9404500
137.0179353 140.3898124 146.6361991 147.7024217 151.4640314
155.3325036 156.7645998 160.7772522 165.2592102 168.2386718
171.6590139 175.9558024 176.5988977 179.8374286 184.1301192
185.9249856 190.8399934 191.2803796 194.5717809 197.7957969
201.4600804 204.1714176 206.5659222 208.9084638 211.2672863
216.2604757 218.0956692 222.5255654 225.0755978 227.5651014
232.9173961 233.8069320 237.3256445 238.1268278 238.4510445
241.7846949 242.7431386 245.9962730 252.0941237 253.5181959
256.4657411 257.7909556 259.9142093 261.3631535 264.3644891
265.8996613 269.4389156 271.1572295 274.7536106 275.8057289
279.1343341 279.7067579 281.5387294 284.6056563 285.2089623
287.4336010 289.5848215 291.1517925 292.4732774 295.3741121
299.2224827 301.0857369 301.5137834 306.1343832 308.5683767
311.6961469 313.9057357 314.6429761 319.1725222 324.5005740
327.3057813 329.2705735 332.8169883 333.4465101 335.2038085
337.4352031 338.8373891 340.1006138 343.6881608 344.9499184
346.1467673
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 286
Rtb_to_modes> Number of blocs = 67
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: 9.9953E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9997E-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: 0.1972
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2291
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3288
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3651
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.3950
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.6039
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.6443
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.6733
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.7570
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.8122
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.8488
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.9235
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 1.026
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.126
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.205
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.325
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.368
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.515
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.567
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.592
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.671
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.823
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.850
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.945
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2.046
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.084
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.192
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.316
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.400
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.499
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.626
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.645
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.743
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.875
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.931
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.089
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.103
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.210
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.318
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.442
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.535
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.618
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.701
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.785
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.966
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 4.034
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4.199
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.296
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.392
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.601
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.636
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.776
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.809
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.822
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4.958
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.997
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.132
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.389
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.450
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.578
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.636
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.729
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 5.793
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 5.927
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 5.996
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.156
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.235
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 6.402
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 6.451
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 6.607
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 6.635
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 6.722
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 6.869
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 6.898
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 7.006
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 7.111
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 7.189
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 7.254
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 7.399
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 7.593
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 7.688
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 7.709
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 7.948
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 8.074
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 8.239
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 8.356
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 8.395
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.639
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.930
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 9.085
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 9.194
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 9.393
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 9.429
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 9.529
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 9.656
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 9.736
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 9.809
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 10.02
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 10.09
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 10.16
Rtb_to_modes> 106 vectors, with 402 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00000 1.00002 0.99999
1.00002 1.00002 0.99997 1.00001 1.00000
1.00002 1.00001 1.00002 0.99995 0.99999
0.99998 1.00004 0.99997 1.00003 1.00000
0.99998 0.99998 0.99999 1.00002 1.00003
1.00001 1.00005 0.99998 1.00001 0.99999
1.00001 0.99999 0.99999 0.99997 1.00003
1.00004 1.00000 0.99998 1.00003 1.00000
0.99998 1.00003 0.99999 1.00000 1.00001
0.99998 1.00000 1.00003 0.99999 1.00000
1.00003 1.00004 1.00000 0.99998 0.99999
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 1.00002 1.00001 1.00000 0.99997
1.00001 1.00001 0.99999 0.99999 0.99998
1.00000 0.99999 1.00000 1.00002 1.00001
0.99998 1.00006 1.00000 1.00002 1.00000
1.00003 0.99996 1.00000 0.99998 0.99997
1.00002 0.99998 1.00000 0.99998 1.00003
1.00000 1.00002 0.99999 0.99999 1.00003
0.99998 0.99998 1.00000 1.00003 1.00003
0.99999 0.99999 0.99997 1.00005 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 5148 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00000 1.00002 0.99999
1.00002 1.00002 0.99997 1.00001 1.00000
1.00002 1.00001 1.00002 0.99995 0.99999
0.99998 1.00004 0.99997 1.00003 1.00000
0.99998 0.99998 0.99999 1.00002 1.00003
1.00001 1.00005 0.99998 1.00001 0.99999
1.00001 0.99999 0.99999 0.99997 1.00003
1.00004 1.00000 0.99998 1.00003 1.00000
0.99998 1.00003 0.99999 1.00000 1.00001
0.99998 1.00000 1.00003 0.99999 1.00000
1.00003 1.00004 1.00000 0.99998 0.99999
0.99998 0.99998 0.99998 1.00000 0.99999
1.00000 1.00002 1.00001 1.00000 0.99997
1.00001 1.00001 0.99999 0.99999 0.99998
1.00000 0.99999 1.00000 1.00002 1.00001
0.99998 1.00006 1.00000 1.00002 1.00000
1.00003 0.99996 1.00000 0.99998 0.99997
1.00002 0.99998 1.00000 0.99998 1.00003
1.00000 1.00002 0.99999 0.99999 1.00003
0.99998 0.99998 1.00000 1.00003 1.00003
0.99999 0.99999 0.99997 1.00005 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> 24012217345632109.eigenfacs
Openam> file on opening on unit 10:
24012217345632109.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24012217345632109.atom
Openam> file on opening on unit 11:
24012217345632109.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 = 265
First residue number = 5
Last residue number = 269
Number of atoms found = 286
Mean number per residue = 1.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-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: 1.0000E-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: 0.1972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6039
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 1.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.126
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.515
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.592
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.850
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.645
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.743
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.089
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 4.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.776
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4.958
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.450
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.729
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 5.793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 5.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 5.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 6.402
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 6.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 6.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 6.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 6.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 6.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 6.898
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: 7.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 7.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 7.254
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 7.399
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 7.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 7.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 7.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 7.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 8.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 8.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 8.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 8.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 9.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.529
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 10.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 10.16
Bfactors> 106 vectors, 858 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 : 0.197200
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= 0.486 for 265 C-alpha atoms.
Bfactors> = 2.986 +/- 3.16
Bfactors> = 17.988 +/- 6.96
Bfactors> Shiftng-fct= 15.002
Bfactors> Scaling-fct= 2.205
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24012217345632109 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=0
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=100
24012217345632109.eigenfacs
24012217345632109.atom
making animated gifs
11 models are in 24012217345632109.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 24012217345632109 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=0
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=100
24012217345632109.eigenfacs
24012217345632109.atom
making animated gifs
11 models are in 24012217345632109.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 24012217345632109 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=0
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=100
24012217345632109.eigenfacs
24012217345632109.atom
making animated gifs
11 models are in 24012217345632109.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 24012217345632109 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=0
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=100
24012217345632109.eigenfacs
24012217345632109.atom
making animated gifs
11 models are in 24012217345632109.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 24012217345632109 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=-20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=0
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=20
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=40
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=60
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=80
24012217345632109.eigenfacs
24012217345632109.atom
calculating perturbed structure for DQ=100
24012217345632109.eigenfacs
24012217345632109.atom
making animated gifs
11 models are in 24012217345632109.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 24012217345632109.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
24012217345632109.10.pdb
24012217345632109.11.pdb
24012217345632109.7.pdb
24012217345632109.8.pdb
24012217345632109.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m1.027s
user 0m1.023s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 24012217345632109.Chkmod.res: 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).
Last modification: April 25th, 2023.
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