*** OPEN_CA_1OMP ***
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 = 2604231333361693976.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 2604231333361693976.atom to be opened.
Openam> File opened: 2604231333361693976.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 3.1245 % Filled.
Pdbmat> 19266 non-zero elements.
Pdbmat> 1894 atom-atom interactions.
Pdbmat> Number per atom= 10.24 +/- 2.60
Maximum number = 18
Minimum number = 3
Pdbmat> Matrix trace = 37880.0
Pdbmat> Larger element = 73.3560
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 = 2604231333361693976.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 2604231333361693976.atom to be opened.
Openam> file on opening on unit 11:
2604231333361693976.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> 19358 matrix lines read.
Prepmat> Matrix order = 1110
Prepmat> Matrix trace = 37880.0000
Prepmat> Last element read: 1110 1110 7.5533
Prepmat> 4279 lines saved.
Prepmat> 3873 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 = 14665.7717
RTB> 13200 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: 13200
Diagstd> Projected matrix trace = 14665.7717
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 = 14665.7717
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 0.0643206 0.0744213 0.1738949 0.3210908
0.4243352 0.4632856 0.4913554 0.5425221 0.5899483
0.6125276 0.6794579 0.6912364 0.7639176 0.8734555
0.9211311 1.0150998 1.0430161 1.1056457 1.1551323
1.1754661 1.2500880 1.2878153 1.2896973 1.3417313
1.4012657 1.4350185 1.5106179 1.6131893 1.6576731
1.6895909 1.7252476 1.7657439 1.8735687 1.9156497
1.9921524 2.0080394 2.0663803 2.1463294 2.1542169
2.2644885 2.2935569 2.3276317 2.4014431 2.5187466
2.5698125 2.6215139 2.6817649 2.7584907 2.8481364
2.8877080 2.9188391 3.0954718 3.1303643 3.1995018
3.2639763 3.2955958 3.4688647 3.5065181 3.6301244
3.6810445 3.6954205 3.7941113 3.8795336 3.9078773
3.9404145 4.0322982 4.0774172 4.1741219 4.2695619
4.3165278 4.4176597 4.4636612 4.5221255 4.5532185
4.6702520 4.7564800 4.8291816 4.8646716 4.9717651
5.0267424 5.1575447 5.2211558 5.3179063 5.3334031
5.4138171 5.4707245 5.5756729 5.7189057 5.7409740
5.8262638 5.9896321 6.0071464 6.0765311 6.1529893
6.2832041 6.3358985 6.3706523 6.4782853 6.5229555
6.5778874
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034338 0.0034338 0.0034338 0.0034339 0.0034340
0.0034340 27.5404043 29.6240084 45.2833696 61.5331636
70.7375181 73.9128018 76.1190154 79.9841651 83.4069526
84.9880965 89.5110323 90.2835388 94.9114375 101.4882265
104.2211847 109.4081452 110.9023571 114.1834803 116.7108278
117.7335760 121.4131066 123.2315939 123.3216063 125.7847701
128.5451004 130.0840419 133.4665990 137.9233974 139.8120902
141.1516811 142.6333196 144.2976108 148.6380806 150.2980452
153.2697890 153.8797209 156.0991011 159.0902133 159.3822665
163.4106431 164.4561204 165.6732591 168.2795851 172.3405684
174.0788468 175.8212511 177.8302458 180.3561843 183.2633707
184.5320986 185.5241107 191.0551298 192.1289109 194.2390119
196.1863459 197.1343237 202.2502018 203.3449188 206.8978777
208.3439127 208.7503490 211.5194511 213.8873206 214.6672227
215.5590358 218.0577878 219.2743627 221.8594057 224.3814432
225.6121839 228.2398170 229.4250809 230.9226784 231.7152012
234.6742492 236.8307649 238.6338498 239.5091137 242.1311044
243.4661549 246.6134617 248.1296179 250.4180455 250.7826479
252.6661548 253.9906354 256.4152928 259.6879202 260.1884828
262.1140801 265.7635114 266.1517882 267.6844505 269.3632614
272.1985850 273.3376067 274.0862399 276.3919027 277.3431774
278.5085271
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: 9.9988E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-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: 6.4321E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.4421E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1739
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3211
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.4243
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.4633
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.4914
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.5425
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.5899
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.6125
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.6795
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6912
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.7639
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.8735
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.9211
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.015
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.043
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.106
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.155
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.175
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.250
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.288
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.290
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.342
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.401
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.435
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.511
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.613
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.658
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.690
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.725
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.766
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.874
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.916
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.992
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.008
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.066
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.146
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.154
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.264
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.294
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.328
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 2.401
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 2.519
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 2.570
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 2.622
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 2.682
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 2.758
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 2.848
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 2.888
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 2.919
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 3.095
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 3.130
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 3.200
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 3.264
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 3.296
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 3.469
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 3.507
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 3.630
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 3.681
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 3.695
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 3.794
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 3.880
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 3.908
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 3.940
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 4.032
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 4.077
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 4.174
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 4.270
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 4.317
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 4.418
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 4.464
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 4.522
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 4.553
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 4.670
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 4.756
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 4.829
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 4.865
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 4.972
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 5.027
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 5.158
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 5.221
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 5.318
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 5.333
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 5.414
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 5.471
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 5.576
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 5.719
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 5.741
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 5.826
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 5.990
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 6.007
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 6.077
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 6.153
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 6.283
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 6.336
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 6.371
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 6.478
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 6.523
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 6.578
Rtb_to_modes> 106 vectors, with 552 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 1.00001 1.00001 1.00002 1.00001
0.99996 0.99998 0.99999 1.00000 1.00001
1.00003 1.00002 1.00002 0.99997 1.00000
0.99998 1.00000 0.99998 0.99999 0.99995
0.99999 0.99996 1.00001 1.00001 1.00004
1.00002 0.99998 1.00002 0.99999 0.99997
1.00000 1.00003 0.99999 1.00002 1.00002
1.00001 1.00000 1.00000 0.99996 1.00000
0.99999 1.00000 0.99997 1.00001 1.00000
1.00003 0.99999 1.00002 0.99999 1.00003
1.00003 1.00000 1.00001 1.00001 1.00000
0.99998 0.99998 1.00003 0.99998 1.00001
0.99996 1.00002 1.00001 0.99998 1.00001
1.00000 1.00002 1.00000 1.00000 0.99998
0.99999 0.99999 1.00002 1.00003 0.99998
0.99997 0.99999 1.00001 0.99996 1.00000
1.00000 0.99998 0.99999 1.00001 1.00001
0.99998 0.99998 0.99998 1.00001 1.00000
1.00000 1.00001 1.00001 1.00002 0.99999
1.00000 0.99996 0.99999 0.99999 0.99998
0.99996 0.99998 1.00002 1.00004 1.00000
0.99999
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):
0.99997 1.00001 1.00001 1.00002 1.00001
0.99996 0.99998 0.99999 1.00000 1.00001
1.00003 1.00002 1.00002 0.99997 1.00000
0.99998 1.00000 0.99998 0.99999 0.99995
0.99999 0.99996 1.00001 1.00001 1.00004
1.00002 0.99998 1.00002 0.99999 0.99997
1.00000 1.00003 0.99999 1.00002 1.00002
1.00001 1.00000 1.00000 0.99996 1.00000
0.99999 1.00000 0.99997 1.00001 1.00000
1.00003 0.99999 1.00002 0.99999 1.00003
1.00003 1.00000 1.00001 1.00001 1.00000
0.99998 0.99998 1.00003 0.99998 1.00001
0.99996 1.00002 1.00001 0.99998 1.00001
1.00000 1.00002 1.00000 1.00000 0.99998
0.99999 0.99999 1.00002 1.00003 0.99998
0.99997 0.99999 1.00001 0.99996 1.00000
1.00000 0.99998 0.99999 1.00001 1.00001
0.99998 0.99998 0.99998 1.00001 1.00000
1.00000 1.00001 1.00001 1.00002 0.99999
1.00000 0.99996 0.99999 0.99999 0.99998
0.99996 0.99998 1.00002 1.00004 1.00000
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000-0.000-0.000-0.000-0.000
Vector 9: 0.000 0.000 0.000 0.000-0.000-0.000-0.000-0.000
Vector 10:-0.000-0.000 0.000 0.000-0.000-0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604231333361693976.eigenfacs
Openam> file on opening on unit 10:
2604231333361693976.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2604231333361693976.atom
Openam> file on opening on unit 11:
2604231333361693976.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: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-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: 6.4321E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.4421E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4243
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.015
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.290
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.725
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.519
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 3.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 3.469
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.681
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4.270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.756
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.865
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 5.027
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 5.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 5.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 6.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 6.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.283
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.578
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 : 0.064321
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= 0.570 for 370 C-alpha atoms.
Bfactors> = 3.676 +/- 2.45
Bfactors> = 20.718 +/- 8.29
Bfactors> Shiftng-fct= 17.042
Bfactors> Scaling-fct= 3.380
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2604231333361693976.eigenfacs
Openam> file on opening on unit 10:
2604231333361693976.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-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: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 27.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 29.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 45.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 61.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 70.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 73.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 76.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 79.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 83.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 84.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 89.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 90.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 94.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 101.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 109.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 110.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 116.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 121.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 123.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 123.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 128.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 130.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 133.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 137.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 139.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 141.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 142.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 144.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 148.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 150.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 153.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 153.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 156.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 159.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 159.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 163.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 164.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 168.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 172.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 174.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 175.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 177.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 180.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 183.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 184.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 185.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 191.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 192.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 194.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 196.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 197.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 202.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 203.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 206.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 208.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 208.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 211.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 213.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 214.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 215.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 218.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 219.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 221.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 224.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 225.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 228.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 229.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 230.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 231.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 234.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 236.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 238.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 239.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 242.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 243.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 246.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 248.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 250.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 250.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 252.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 254.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 256.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 259.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 260.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 262.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 265.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 266.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 267.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 269.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 272.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 273.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 274.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 276.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 277.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 278.5
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 20 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 61 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.9135
0.0034 0.9953
0.0034 0.8208
0.0034 0.7591
0.0034 0.7840
0.0034 0.9109
27.5393 0.6642
29.6227 0.7167
45.2821 0.6132
61.5314 0.5877
70.7315 0.4924
73.9108 0.2907
76.1192 0.6237
79.9791 0.3675
83.4000 0.3154
84.9825 0.3435
89.5100 0.6499
90.2773 0.6025
94.9063 0.4484
101.4865 0.3221
104.2150 0.5124
109.3981 0.4983
110.8967 0.3925
114.1969 0.6346
116.6991 0.5239
117.7052 0.4318
121.4036 0.5572
123.2351 0.4471
123.3308 0.4550
125.7920 0.5195
128.5274 0.6816
130.0776 0.5296
133.4777 0.2212
137.9094 0.4609
139.8199 0.4410
141.1627 0.4481
142.6170 0.5052
144.3019 0.5497
148.6488 0.5564
150.3053 0.5655
153.2573 0.3329
153.8716 0.5015
156.0780 0.4690
159.0712 0.5444
159.3674 0.4302
163.3860 0.5229
164.4649 0.4965
165.6793 0.4877
168.2568 0.6087
172.3418 0.4474
174.0777 0.5451
175.8300 0.5465
177.8304 0.5256
180.3324 0.6376
183.2511 0.6057
184.5335 0.4589
185.5213 0.4487
191.0324 0.5325
192.1095 0.5989
194.2458 0.5586
196.1786 0.3931
197.1380 0.5541
202.2455 0.5744
203.3502 0.4764
206.8855 0.4810
208.3337 0.5517
208.7295 0.4961
211.5073 0.5005
213.8910 0.5115
214.6614 0.4665
215.5384 0.5704
218.0404 0.5573
219.2537 0.5530
221.8466 0.6108
224.3833 0.5358
225.6148 0.5116
228.2388 0.5858
229.4239 0.4907
230.9096 0.3785
231.6997 0.6409
234.6578 0.5324
236.8086 0.4364
238.6191 0.5501
239.5069 0.5776
242.1264 0.3489
243.4619 0.3640
246.6138 0.6699
248.1153 0.6045
250.4095 0.6344
250.7624 0.6251
252.6596 0.5661
253.9861 0.5209
256.4118 0.5490
259.6789 0.6183
260.1779 0.5223
262.0969 0.6606
265.7603 0.4877
266.1371 0.5344
267.6833 0.6200
269.3519 0.4863
272.1825 0.5677
273.3281 0.5845
274.0820 0.6059
276.3740 0.4403
277.3322 0.6352
278.4990 0.5994
getting mode 7
running: ../../bin/get_modes.sh 2604231333361693976 7 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.7.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 2604231333361693976.7.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 2604231333361693976.7.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 2604231333361693976 8 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.8.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 2604231333361693976.8.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 2604231333361693976.8.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 2604231333361693976 9 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.9.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 2604231333361693976.9.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 2604231333361693976.9.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 2604231333361693976 10 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.10.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 2604231333361693976.10.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 2604231333361693976.10.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 2604231333361693976 11 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.11.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 2604231333361693976.11.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 2604231333361693976.11.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 2604231333361693976 12 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.12.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 2604231333361693976.12.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 2604231333361693976.12.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 2604231333361693976 13 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.13.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 2604231333361693976.13.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 2604231333361693976.13.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 2604231333361693976 14 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.14.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 2604231333361693976.14.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 2604231333361693976.14.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 2604231333361693976 15 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.15.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 2604231333361693976.15.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 2604231333361693976.15.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 2604231333361693976 16 -20 20 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-20
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=0
2604231333361693976.eigenfacs
2604231333361693976.atom
calculating perturbed structure for DQ=20
2604231333361693976.eigenfacs
2604231333361693976.atom
making animated gifs
3 models are in 2604231333361693976.16.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 2604231333361693976.16.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 2604231333361693976.16.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
2604231333361693976.10.pdb
2604231333361693976.11.pdb
2604231333361693976.12.pdb
2604231333361693976.13.pdb
2604231333361693976.14.pdb
2604231333361693976.15.pdb
2604231333361693976.16.pdb
2604231333361693976.7.pdb
2604231333361693976.8.pdb
2604231333361693976.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m2.514s
user 0m2.502s
sys 0m0.011s
rm: cannot remove '2604231333361693976.sdijf': No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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