*** ***
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 = 2604231518111718472.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 2604231518111718472.atom to be opened.
Openam> File opened: 2604231518111718472.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 = 370
First residue number = 1
Last residue number = 370
Number of atoms found = 370
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 0.001192 +/- 9.135393 From: -21.442000 To: 20.230000
= 0.003886 +/- 11.096084 From: -26.570000 To: 24.665000
= 0.156346 +/- 16.178301 From: -34.658000 To: 29.891000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.4380 % Filled.
Pdbmat> 33531 non-zero elements.
Pdbmat> 3479 atom-atom interactions.
Pdbmat> Number per atom= 18.81 +/- 5.31
Maximum number = 30
Minimum number = 6
Pdbmat> Matrix trace = 69580.0
Pdbmat> Larger element = 132.855
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
370 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 = 2604231518111718472.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 2604231518111718472.atom to be opened.
Openam> file on opening on unit 11:
2604231518111718472.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 370 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> 370 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 will be merged with next block.
Blocpdb> 4 atoms in block 60
Block first atom: 237
%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 242th, in residue A 242
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 61
Block first atom: 241
%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 246th, in residue A 246
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 62
Block first atom: 245
%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 250th, in residue A 250
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 63
Block first atom: 249
%Blocpdb-Wn> 2 atoms in block 64 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 254th, in residue A 254
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 64
Block first atom: 253
%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 258th, in residue A 258
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 65
Block first atom: 257
%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 262th, in residue A 262
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 66
Block first atom: 261
%Blocpdb-Wn> 2 atoms in block 67 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 266th, in residue A 266
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 67
Block first atom: 265
%Blocpdb-Wn> 2 atoms in block 68 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 270th, in residue A 270
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 68
Block first atom: 269
%Blocpdb-Wn> 2 atoms in block 69 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 274th, in residue A 274
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 69
Block first atom: 273
%Blocpdb-Wn> 2 atoms in block 70 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 278th, in residue A 278
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 70
Block first atom: 277
%Blocpdb-Wn> 2 atoms in block 71 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 282th, in residue A 282
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 71
Block first atom: 281
%Blocpdb-Wn> 2 atoms in block 72 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 286th, in residue A 286
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 72
Block first atom: 285
%Blocpdb-Wn> 2 atoms in block 73 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 290th, in residue A 290
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 73
Block first atom: 289
%Blocpdb-Wn> 2 atoms in block 74 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 294th, in residue A 294
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 74
Block first atom: 293
%Blocpdb-Wn> 2 atoms in block 75 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 298th, in residue A 298
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 75
Block first atom: 297
%Blocpdb-Wn> 2 atoms in block 76 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 302th, in residue A 302
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 76
Block first atom: 301
%Blocpdb-Wn> 2 atoms in block 77 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 306th, in residue A 306
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 77
Block first atom: 305
%Blocpdb-Wn> 2 atoms in block 78 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 310th, in residue A 310
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 78
Block first atom: 309
%Blocpdb-Wn> 2 atoms in block 79 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 314th, in residue A 314
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 79
Block first atom: 313
%Blocpdb-Wn> 2 atoms in block 80 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 318th, in residue A 318
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 80
Block first atom: 317
%Blocpdb-Wn> 2 atoms in block 81 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 322th, in residue A 322
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 81
Block first atom: 321
%Blocpdb-Wn> 2 atoms in block 82 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 326th, in residue A 326
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 82
Block first atom: 325
%Blocpdb-Wn> 2 atoms in block 83 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 330th, in residue A 330
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 83
Block first atom: 329
%Blocpdb-Wn> 2 atoms in block 84 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 334th, in residue A 334
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 84
Block first atom: 333
%Blocpdb-Wn> 2 atoms in block 85 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 338th, in residue A 338
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 85
Block first atom: 337
%Blocpdb-Wn> 2 atoms in block 86 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 342th, in residue A 342
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 86
Block first atom: 341
%Blocpdb-Wn> 2 atoms in block 87 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 346th, in residue A 346
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 87
Block first atom: 345
%Blocpdb-Wn> 2 atoms in block 88 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 350th, in residue A 350
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 88
Block first atom: 349
%Blocpdb-Wn> 2 atoms in block 89 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 354th, in residue A 354
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 89
Block first atom: 353
%Blocpdb-Wn> 2 atoms in block 90 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 358th, in residue A 358
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 90
Block first atom: 357
%Blocpdb-Wn> 2 atoms in block 91 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 362th, in residue A 362
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 91
Block first atom: 361
%Blocpdb-Wn> 2 atoms in block 92 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 366th, in residue A 366
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 92
Block first atom: 365
%Blocpdb-Wn> 2 atoms in block 93 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 370th, in residue A 370
%Blocpdb-Wn> It is merged with last block.
Blocpdb> 92 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> 33623 matrix lines read.
Prepmat> Matrix order = 1110
Prepmat> Matrix trace = 69580.0000
Prepmat> Last element read: 1110 1110 14.7943
Prepmat> 4279 lines saved.
Prepmat> 3644 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: 370
RTB> Total mass = 370.0000
RTB> Number of atoms found in matrix: 370
RTB> Number of blocks = 92
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 30159.1685
RTB> 21444 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 = 552
Diagstd> Nb of non-zero elements: 21444
Diagstd> Projected matrix trace = 30159.1685
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 552 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 30159.1685
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 0.2782400 0.3737920 0.9388498 1.4435153
1.7677368 1.9478550 2.1773307 2.3696909 2.5331102
2.9094548 2.9915939 3.6201100 3.7102035 4.1330087
4.4243830 4.4539216 4.7751218 4.9313360 5.1485812
5.3473829 5.6777050 5.7512293 6.1545808 6.5744597
6.6260906 6.9217290 7.1251330 7.3742709 7.4878840
7.5313890 7.9412721 8.2581328 8.4825704 8.6358567
8.7245057 9.0378973 9.1383432 9.3347362 9.4693051
9.6508396 9.9324009 10.0696405 10.2861738 10.5047053
10.8954116 11.0055265 11.3474288 11.7156716 11.8371529
11.8977361 12.6255908 12.7917318 12.9406965 13.0379085
13.0838748 13.2456237 13.7543910 14.1313930 14.1530765
14.4667124 14.6777687 14.8650825 14.9888226 15.2394768
15.3339201 15.4890039 15.7284865 15.8202320 16.2097452
16.3805739 16.5473324 16.6865806 17.1081645 17.2692017
17.4476682 17.6663488 17.8065662 18.0831641 18.3325412
18.4159458 18.5351399 18.7429914 18.9797551 18.9995031
19.2526147 19.3999855 19.9200318 20.0470624 20.1321544
20.3957467 20.5932384 20.7595483 20.9440152 21.3074082
21.4712088 21.6329679 21.7050619 22.0498379 22.1295041
22.2826572
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034337 0.0034337 0.0034338 0.0034338 0.0034340
0.0034341 57.2802703 66.3911676 105.2188003 130.4685927
144.3790191 151.5561590 160.2350357 167.1633740 172.8312719
185.2256331 187.8220594 206.6122973 209.1674722 220.7640948
228.4134308 229.1746435 237.2944089 241.1446201 246.3990697
251.1111054 258.7507954 260.4207717 269.3980933 278.4359530
279.5271301 285.6949573 289.8623224 294.8864549 297.1493841
298.0113598 306.0133109 312.0586394 316.2707410 319.1155691
320.7492848 326.4592521 328.2683494 331.7770217 334.1599026
337.3477594 342.2334067 344.5896768 348.2749274 351.9550624
358.4405226 360.2472653 365.8002625 371.6882869 373.6103589
374.5652184 385.8523367 388.3827682 390.6376563 392.1021695
392.7927566 395.2132410 402.7318375 408.2138800 408.5269463
413.0286745 416.0306242 418.6768437 420.4158107 423.9164876
425.2280245 427.3729447 430.6641759 431.9183991 437.2032432
439.5009696 441.7324207 443.5871480 449.1557767 451.2647504
453.5905283 456.4242181 458.2319525 461.7772062 464.9503887
466.0068432 467.5124859 470.1265007 473.0865301 473.3325833
476.4750238 478.2951564 484.6634770 486.2063774 487.2371639
490.4165125 492.7851412 494.7709930 496.9643699 501.2571650
503.1801820 505.0720469 505.9129478 509.9152265 510.8355602
512.6001985
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 370
Rtb_to_modes> Number of blocs = 92
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: 9.9984E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2782
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3738
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9388
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.444
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.768
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.948
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.177
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.370
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.533
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.909
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.992
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.620
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.710
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.133
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.424
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.454
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 4.775
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 4.931
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.149
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 5.347
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 5.678
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 5.751
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 6.155
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 6.574
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 6.626
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 6.922
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.125
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.374
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.488
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 7.531
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 7.941
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.258
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.483
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 8.636
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.725
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 9.038
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 9.138
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.335
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.469
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.651
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 9.932
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 10.29
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 10.50
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 11.01
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 11.35
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.72
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.90
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 12.63
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 12.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 12.94
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 13.04
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 13.08
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 14.13
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 14.15
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 14.47
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.68
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.87
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 14.99
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.24
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.33
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 15.49
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 15.73
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 15.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 16.21
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 16.55
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 16.69
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 17.11
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 17.27
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 17.45
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 17.81
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 18.08
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 18.54
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 18.74
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 19.25
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 19.40
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 19.92
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 20.05
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 20.13
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 20.40
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 20.76
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 20.94
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 21.31
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 21.47
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 21.63
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 21.71
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 22.13
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 22.28
Rtb_to_modes> 106 vectors, with 552 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00002 1.00002 1.00001 1.00000
0.99998 1.00001 1.00000 0.99998 1.00001
1.00002 1.00000 1.00001 1.00000 1.00000
0.99999 1.00000 0.99999 0.99996 0.99999
1.00000 1.00001 1.00002 0.99999 1.00001
0.99998 0.99999 1.00002 0.99998 0.99998
0.99996 1.00003 0.99999 0.99997 1.00000
1.00000 0.99999 1.00002 1.00000 1.00003
0.99998 0.99996 0.99997 1.00003 1.00000
0.99998 1.00001 0.99998 0.99997 1.00001
1.00000 1.00001 1.00002 0.99998 0.99997
1.00000 0.99998 0.99998 1.00002 0.99999
0.99998 1.00002 1.00001 1.00001 0.99998
1.00000 0.99997 1.00000 0.99997 0.99998
1.00002 1.00001 1.00000 1.00000 0.99997
1.00000 0.99997 1.00002 0.99998 0.99999
0.99995 0.99999 0.99999 0.99998 0.99998
1.00002 1.00002 0.99998 1.00000 0.99998
0.99998 1.00001 1.00001 0.99998 0.99998
0.99998 1.00001 0.99997 1.00003 0.99998
1.00000 1.00000 0.99997 1.00001 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 6660 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00002 1.00002 1.00001 1.00000
0.99998 1.00001 1.00000 0.99998 1.00001
1.00002 1.00000 1.00001 1.00000 1.00000
0.99999 1.00000 0.99999 0.99996 0.99999
1.00000 1.00001 1.00002 0.99999 1.00001
0.99998 0.99999 1.00002 0.99998 0.99998
0.99996 1.00003 0.99999 0.99997 1.00000
1.00000 0.99999 1.00002 1.00000 1.00003
0.99998 0.99996 0.99997 1.00003 1.00000
0.99998 1.00001 0.99998 0.99997 1.00001
1.00000 1.00001 1.00002 0.99998 0.99997
1.00000 0.99998 0.99998 1.00002 0.99999
0.99998 1.00002 1.00001 1.00001 0.99998
1.00000 0.99997 1.00000 0.99997 0.99998
1.00002 1.00001 1.00000 1.00000 0.99997
1.00000 0.99997 1.00002 0.99998 0.99999
0.99995 0.99999 0.99999 0.99998 0.99998
1.00002 1.00002 0.99998 1.00000 0.99998
0.99998 1.00001 1.00001 0.99998 0.99998
0.99998 1.00001 0.99997 1.00003 0.99998
1.00000 1.00000 0.99997 1.00001 1.00002
0.99998
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> 2604231518111718472.eigenfacs
Openam> file on opening on unit 10:
2604231518111718472.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604231518111718472.atom
Openam> file on opening on unit 11:
2604231518111718472.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 = 370
First residue number = 1
Last residue number = 370
Number of atoms found = 370
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: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-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: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3738
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.533
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.620
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 4.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 4.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 5.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 5.678
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 5.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 6.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 6.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 6.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.374
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.651
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 9.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 11.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 12.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 13.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 14.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 14.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 16.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 20.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 20.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 20.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 21.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 21.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 21.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 22.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 22.28
Bfactors> 106 vectors, 1110 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 : 0.278200
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= 0.539 for 370 C-alpha atoms.
Bfactors> = 0.822 +/- 0.68
Bfactors> = 20.718 +/- 8.29
Bfactors> Shiftng-fct= 19.896
Bfactors> Scaling-fct= 12.138
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604231518111718472.eigenfacs
Openam> file on opening on unit 10:
2604231518111718472.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 57.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 66.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 105.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 130.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 144.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 160.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 167.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 172.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 185.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 187.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 206.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 209.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 220.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 228.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 229.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 237.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 241.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 246.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 251.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 258.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 260.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 269.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 278.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 279.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 285.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 289.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 294.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 297.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 298.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 306.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 312.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 316.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 319.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 320.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 326.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 328.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 331.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 334.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 337.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 342.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 344.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 348.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 351.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 358.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 360.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 365.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 371.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 373.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 374.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 385.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 388.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 390.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 392.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 392.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 395.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 402.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 408.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 408.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 413.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 416.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 418.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 420.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 423.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 425.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 427.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 430.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 431.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 437.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 439.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 441.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 443.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 449.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 451.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 453.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 456.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 458.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 461.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 464.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 466.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 467.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 470.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 473.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 473.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 476.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 478.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 484.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 486.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 487.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 490.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 492.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 494.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 496.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 501.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 503.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 505.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 505.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 509.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 510.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 512.5
Chkmod> 106 vectors, 1110 coordinates in file.
Chkmod> That is: 370 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 19 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 62 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 81 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.9725
0.0034 0.7761
0.0034 0.7526
0.0034 0.7460
0.0034 0.8947
0.0034 0.8875
57.2737 0.6454
66.3890 0.6816
105.2115 0.5172
130.4849 0.4509
144.3836 0.2108
151.5553 0.4441
160.2160 0.3055
167.1671 0.2429
172.8201 0.4778
185.2032 0.6340
187.8267 0.5372
206.6003 0.5395
209.1528 0.4037
220.7544 0.4303
228.3937 0.3153
229.1668 0.4189
237.2812 0.1505
241.1261 0.3632
246.3985 0.3316
251.0913 0.3928
258.7464 0.6765
260.4044 0.6847
269.3957 0.5170
278.4143 0.4288
279.5132 0.4556
285.6883 0.2736
289.8472 0.4215
294.8684 0.5391
297.1389 0.3774
297.9909 0.4955
305.9949 0.5836
312.0427 0.3752
316.2652 0.6334
319.1045 0.5092
320.7446 0.6668
326.4471 0.5350
328.2481 0.5422
331.7675 0.5905
334.1402 0.4512
337.3361 0.5352
342.2118 0.5959
344.5810 0.5256
348.3247 0.5464
351.8611 0.5213
358.5006 0.3901
360.3050 0.5032
365.8260 0.4195
371.7410 0.5801
373.6392 0.4639
374.5848 0.5745
385.9031 0.4765
388.3398 0.4355
390.6104 0.5682
392.1168 0.5858
392.7177 0.4472
395.2616 0.4882
402.6503 0.5008
408.1762 0.6961
408.4650 0.3218
413.0579 0.5600
416.0444 0.4704
418.7281 0.5061
420.4143 0.4841
423.9056 0.5946
425.1554 0.5378
427.3683 0.3926
430.6664 0.5691
431.8967 0.4949
437.1879 0.5572
439.4744 0.3813
441.7491 0.6322
443.6136 0.5923
449.1606 0.5922
451.2558 0.3485
453.6014 0.1833
456.4518 0.3388
458.2565 0.5647
461.7170 0.4824
464.8982 0.5716
466.0381 0.4682
467.5537 0.4183
470.0688 0.5313
473.0693 0.5900
473.3185 0.5954
476.4222 0.5883
478.2748 0.4295
484.6423 0.4970
486.2211 0.4202
487.1902 0.2444
490.4466 0.4077
492.7252 0.5105
494.7551 0.4518
496.8954 0.4796
501.2661 0.5797
503.1444 0.4439
505.0157 0.4487
505.9488 0.5030
509.8952 0.5320
510.8194 0.4854
512.5476 0.5228
getting mode 7
running: ../../bin/get_modes.sh 2604231518111718472 7 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2604231518111718472 8 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2604231518111718472 9 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2604231518111718472 10 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2604231518111718472 11 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2604231518111718472 12 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2604231518111718472 13 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2604231518111718472 14 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2604231518111718472 15 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2604231518111718472 16 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=0
2604231518111718472.eigenfacs
2604231518111718472.atom
calculating perturbed structure for DQ=20
2604231518111718472.eigenfacs
2604231518111718472.atom
making animated gifs
3 models are in 2604231518111718472.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
3 models are in 2604231518111718472.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2604231518111718472.10.pdb
2604231518111718472.11.pdb
2604231518111718472.12.pdb
2604231518111718472.13.pdb
2604231518111718472.14.pdb
2604231518111718472.15.pdb
2604231518111718472.16.pdb
2604231518111718472.7.pdb
2604231518111718472.8.pdb
2604231518111718472.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m2.569s
user 0m2.553s
sys 0m0.015s
rm: cannot remove '2604231518111718472.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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