*** ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2402161052242961240.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 2402161052242961240.atom to be opened.
Openam> File opened: 2402161052242961240.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 33.614864 +/- 9.083740 From: 11.460000 To: 53.033000
= 27.826749 +/- 8.647031 From: 6.241000 To: 48.000000
= 97.849780 +/- 9.283232 From: 77.117000 To: 117.891000
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 5.9890 % Filled.
Pdbmat> 9849 non-zero elements.
Pdbmat> 967 atom-atom interactions.
Pdbmat> Number per atom= 10.13 +/- 3.48
Maximum number = 20
Minimum number = 4
Pdbmat> Matrix trace = 19340.0
Pdbmat> Larger element = 75.9186
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
183 non-zero elements, NRBL set to 1
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 = 2402161052242961240.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2402161052242961240.atom to be opened.
Openam> file on opening on unit 11:
2402161052242961240.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 191 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 183 residues.
%Blocpdb-Wn> 1 atoms in block 1 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 1th, in residue A 96
%Blocpdb-Wn> It will be merged with next block.
%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 97
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 1
Block first atom: 1
%Blocpdb-Wn> 1 atoms in block 2 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 4th, in residue A 99
%Blocpdb-Wn> It will be merged with next block.
%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 5th, in residue A 100
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 2
Block first atom: 4
%Blocpdb-Wn> 1 atoms in block 3 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 7th, in residue A 102
%Blocpdb-Wn> It will be merged with next block.
%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 8th, in residue A 103
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 3
Block first atom: 7
%Blocpdb-Wn> 1 atoms in block 4 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 10th, in residue A 105
%Blocpdb-Wn> It will be merged with next block.
%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 11th, in residue A 106
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 4
Block first atom: 10
%Blocpdb-Wn> 1 atoms in block 5 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 13th, in residue A 108
%Blocpdb-Wn> It will be merged with next block.
%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 14th, in residue A 109
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 5
Block first atom: 13
%Blocpdb-Wn> 1 atoms in block 6 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 16th, in residue A 111
%Blocpdb-Wn> It will be merged with next block.
%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 17th, in residue A 112
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 6
Block first atom: 16
%Blocpdb-Wn> 1 atoms in block 7 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 19th, in residue A 114
%Blocpdb-Wn> It will be merged with next block.
%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 20th, in residue A 122
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 7
Block first atom: 19
%Blocpdb-Wn> 1 atoms in block 8 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 22th, in residue A 124
%Blocpdb-Wn> It will be merged with next block.
%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 23th, in residue A 125
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 8
Block first atom: 22
%Blocpdb-Wn> 1 atoms in block 9 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 25th, in residue A 127
%Blocpdb-Wn> It will be merged with next block.
%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 26th, in residue A 128
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 9
Block first atom: 25
%Blocpdb-Wn> 1 atoms in block 10 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 28th, in residue A 130
%Blocpdb-Wn> It will be merged with next block.
%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 29th, in residue A 131
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 10
Block first atom: 28
%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 32th, in residue A 133
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 11
Block first atom: 31
%Blocpdb-Wn> 1 atoms in block 12 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 34th, in residue A 135
%Blocpdb-Wn> It will be merged with next block.
%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 35th, in residue A 136
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 12
Block first atom: 34
%Blocpdb-Wn> 1 atoms in block 13 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 37th, in residue A 138
%Blocpdb-Wn> It will be merged with next block.
%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 38th, in residue A 139
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 13
Block first atom: 37
%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 41th, in residue A 141
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 14
Block first atom: 40
%Blocpdb-Wn> 1 atoms in block 15 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 43th, in residue A 143
%Blocpdb-Wn> It will be merged with next block.
%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 44th, in residue A 144
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 15
Block first atom: 43
%Blocpdb-Wn> 1 atoms in block 16 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 46th, in residue A 146
%Blocpdb-Wn> It will be merged with next block.
%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 47th, in residue A 147
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 16
Block first atom: 46
%Blocpdb-Wn> 1 atoms in block 17 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 49th, in residue A 149
%Blocpdb-Wn> It will be merged with next block.
%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 50th, in residue A 150
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 17
Block first atom: 49
%Blocpdb-Wn> 1 atoms in block 18 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 52th, in residue A 152
%Blocpdb-Wn> It will be merged with next block.
%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 53th, in residue A 153
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 18
Block first atom: 52
%Blocpdb-Wn> 1 atoms in block 19 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 55th, in residue A 155
%Blocpdb-Wn> It will be merged with next block.
%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 56th, in residue A 156
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 19
Block first atom: 55
%Blocpdb-Wn> 1 atoms in block 20 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 58th, in residue A 158
%Blocpdb-Wn> It will be merged with next block.
%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 59th, in residue A 159
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 20
Block first atom: 58
%Blocpdb-Wn> 1 atoms in block 21 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 61th, in residue A 161
%Blocpdb-Wn> It will be merged with next block.
%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 62th, in residue A 162
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 21
Block first atom: 61
%Blocpdb-Wn> 1 atoms in block 22 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 64th, in residue A 164
%Blocpdb-Wn> It will be merged with next block.
%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 65th, in residue A 165
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 22
Block first atom: 64
%Blocpdb-Wn> 1 atoms in block 23 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 68th, in residue A 167
%Blocpdb-Wn> It will be merged with next block.
%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 69th, in residue A 168
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 23
Block first atom: 68
%Blocpdb-Wn> 1 atoms in block 24 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 71th, in residue A 170
%Blocpdb-Wn> It will be merged with next block.
%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 72th, in residue A 171
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 24
Block first atom: 71
%Blocpdb-Wn> 1 atoms in block 25 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 74th, in residue A 173
%Blocpdb-Wn> It will be merged with next block.
%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 75th, in residue A 174
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 25
Block first atom: 74
%Blocpdb-Wn> 1 atoms in block 26 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 77th, in residue A 176
%Blocpdb-Wn> It will be merged with next block.
%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 78th, in residue A 177
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 26
Block first atom: 77
%Blocpdb-Wn> 1 atoms in block 27 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 80th, in residue A 179
%Blocpdb-Wn> It will be merged with next block.
%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 81th, in residue A 180
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 27
Block first atom: 80
%Blocpdb-Wn> 1 atoms in block 28 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 83th, in residue A 185
%Blocpdb-Wn> It will be merged with next block.
%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 84th, in residue A 186
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 28
Block first atom: 83
%Blocpdb-Wn> 1 atoms in block 29 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 86th, in residue A 188
%Blocpdb-Wn> It will be merged with next block.
%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 87th, in residue A 189
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 29
Block first atom: 86
%Blocpdb-Wn> 1 atoms in block 30 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 89th, in residue A 191
%Blocpdb-Wn> It will be merged with next block.
%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 90th, in residue A 192
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 30
Block first atom: 89
%Blocpdb-Wn> 1 atoms in block 31 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 92th, in residue A 194
%Blocpdb-Wn> It will be merged with next block.
%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 93th, in residue A 195
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 31
Block first atom: 92
%Blocpdb-Wn> 1 atoms in block 32 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 95th, in residue A 197
%Blocpdb-Wn> It will be merged with next block.
%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 96th, in residue A 198
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 32
Block first atom: 95
%Blocpdb-Wn> 1 atoms in block 33 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 98th, in residue A 200
%Blocpdb-Wn> It will be merged with next block.
%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 99th, in residue A 201
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 33
Block first atom: 98
%Blocpdb-Wn> 1 atoms in block 34 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 101th, in residue A 203
%Blocpdb-Wn> It will be merged with next block.
%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 102th, in residue A 204
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 34
Block first atom: 101
%Blocpdb-Wn> 1 atoms in block 35 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 104th, in residue A 206
%Blocpdb-Wn> It will be merged with next block.
%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 105th, in residue A 207
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 35
Block first atom: 104
%Blocpdb-Wn> 1 atoms in block 36 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 107th, in residue A 209
%Blocpdb-Wn> It will be merged with next block.
%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 108th, in residue A 210
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 36
Block first atom: 107
%Blocpdb-Wn> 1 atoms in block 37 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 110th, in residue A 212
%Blocpdb-Wn> It will be merged with next block.
%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 111th, in residue A 213
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 37
Block first atom: 110
%Blocpdb-Wn> 1 atoms in block 38 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 113th, in residue A 215
%Blocpdb-Wn> It will be merged with next block.
%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 114th, in residue A 216
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 38
Block first atom: 113
%Blocpdb-Wn> 1 atoms in block 39 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 116th, in residue A 218
%Blocpdb-Wn> It will be merged with next block.
%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 117th, in residue A 219
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 39
Block first atom: 116
%Blocpdb-Wn> 1 atoms in block 40 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 119th, in residue A 221
%Blocpdb-Wn> It will be merged with next block.
%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 120th, in residue A 222
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 40
Block first atom: 119
%Blocpdb-Wn> 1 atoms in block 41 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 122th, in residue A 224
%Blocpdb-Wn> It will be merged with next block.
%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 123th, in residue A 225
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 41
Block first atom: 122
%Blocpdb-Wn> 1 atoms in block 42 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 125th, in residue A 227
%Blocpdb-Wn> It will be merged with next block.
%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 126th, in residue A 228
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 42
Block first atom: 125
%Blocpdb-Wn> 1 atoms in block 43 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 128th, in residue A 230
%Blocpdb-Wn> It will be merged with next block.
%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 129th, in residue A 231
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 43
Block first atom: 128
%Blocpdb-Wn> 1 atoms in block 44 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 131th, in residue A 233
%Blocpdb-Wn> It will be merged with next block.
%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 132th, in residue A 234
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 44
Block first atom: 131
%Blocpdb-Wn> 1 atoms in block 45 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 134th, in residue A 236
%Blocpdb-Wn> It will be merged with next block.
%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 135th, in residue A 237
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 45
Block first atom: 134
%Blocpdb-Wn> 1 atoms in block 46 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 138th, in residue A 239
%Blocpdb-Wn> It will be merged with next block.
%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 139th, in residue A 240
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 46
Block first atom: 138
%Blocpdb-Wn> 1 atoms in block 47 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 141th, in residue A 242
%Blocpdb-Wn> It will be merged with next block.
%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 142th, in residue A 243
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 47
Block first atom: 141
%Blocpdb-Wn> 1 atoms in block 48 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 144th, in residue A 245
%Blocpdb-Wn> It will be merged with next block.
%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 145th, in residue A 246
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 48
Block first atom: 144
%Blocpdb-Wn> 1 atoms in block 49 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 147th, in residue A 248
%Blocpdb-Wn> It will be merged with next block.
%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 148th, in residue A 249
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 49
Block first atom: 147
%Blocpdb-Wn> 1 atoms in block 50 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 150th, in residue A 251
%Blocpdb-Wn> It will be merged with next block.
%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 151th, in residue A 252
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 50
Block first atom: 150
%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 154th, in residue A 254
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 51
Block first atom: 153
%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 157th, in residue A 256
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 52
Block first atom: 156
%Blocpdb-Wn> 1 atoms in block 53 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 159th, in residue A 258
%Blocpdb-Wn> It will be merged with next block.
%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 160th, in residue A 259
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 53
Block first atom: 159
%Blocpdb-Wn> 1 atoms in block 54 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 162th, in residue A 261
%Blocpdb-Wn> It will be merged with next block.
%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 163th, in residue A 262
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 54
Block first atom: 162
%Blocpdb-Wn> 1 atoms in block 55 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 165th, in residue A 264
%Blocpdb-Wn> It will be merged with next block.
%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 166th, in residue A 265
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 55
Block first atom: 165
%Blocpdb-Wn> 1 atoms in block 56 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 168th, in residue A 267
%Blocpdb-Wn> It will be merged with next block.
%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 169th, in residue A 268
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 56
Block first atom: 168
%Blocpdb-Wn> 1 atoms in block 57 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 171th, in residue A 270
%Blocpdb-Wn> It will be merged with next block.
%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 172th, in residue A 271
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 4 atoms in block 57
Block first atom: 171
%Blocpdb-Wn> 1 atoms in block 58 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 175th, in residue A 273
%Blocpdb-Wn> It will be merged with next block.
%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 176th, in residue A 274
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 58
Block first atom: 175
%Blocpdb-Wn> 1 atoms in block 59 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 178th, in residue A 276
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 59
Block first atom: 178
%Blocpdb-Wn> 1 atoms in block 60 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 181th, in residue A 278
%Blocpdb-Wn> It will be merged with next block.
%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 182th, in residue A 279
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 60
Block first atom: 181
%Blocpdb-Wn> 1 atoms in block 61 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 184th, in residue A 281
%Blocpdb-Wn> It will be merged with next block.
%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 185th, in residue A 282
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 61
Block first atom: 184
%Blocpdb-Wn> 1 atoms in block 62 i.e., less than what is required for a rigid body.
%Blocpdb-Wn> Last atom in this block is the 187th, in residue A 284
%Blocpdb-Wn> It will be merged with next block.
%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 188th, in residue A 285
%Blocpdb-Wn> It will be merged with next block.
Blocpdb> 3 atoms in block 62
Block first atom: 187
%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 191th, in residue A 288
%Blocpdb-Wn> It is merged with last block.
Blocpdb> 62 blocks.
Blocpdb> At most, 5 atoms in each of them.
Blocpdb> At least, 3 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 9911 matrix lines read.
Prepmat> Matrix order = 573
Prepmat> Matrix trace = 19340.0000
Prepmat> Last element read: 573 573 5.4597
Prepmat> 1954 lines saved.
Prepmat> 1681 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: 191
RTB> Total mass = 191.0000
RTB> Number of atoms found in matrix: 191
RTB> Number of blocks = 62
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 10488.1624
RTB> 8862 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 = 372
Diagstd> Nb of non-zero elements: 8862
Diagstd> Projected matrix trace = 10488.1624
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 372 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 10488.1624
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 0.0682395 0.0859546 0.1041436 0.1328066
0.1527115 0.1648224 0.2337095 0.2657081 0.2891539
0.3558010 0.4440560 0.4566967 0.5142279 0.5685476
0.6065656 0.6137128 0.7438352 0.7701726 0.8412776
0.8822479 0.9632571 1.1021450 1.1336098 1.1723675
1.2314485 1.2378026 1.3348659 1.4233842 1.4969514
1.5427166 1.6226728 1.6877761 1.7275377 1.7772304
1.7936851 1.9069699 2.0125069 2.0810338 2.1775760
2.2378810 2.3592629 2.4640027 2.5340922 2.5827958
2.6582360 2.7813898 2.9768011 3.0458566 3.1821832
3.2514193 3.2795160 3.5720712 3.6027596 3.8406144
3.8695279 4.0081574 4.0684508 4.2744194 4.5681300
4.6995198 4.8515534 4.9702968 5.1216404 5.1984662
5.3428578 5.4609581 5.4723556 5.7512333 5.8227187
5.9928712 6.1838979 6.2407048 6.4177545 6.4668960
6.7948503 6.8843475 7.1734318 7.2997316 7.4317568
7.5019447 7.6019499 7.6821132 7.8163741 7.8990290
7.9369310 8.0688502 8.4583915 8.5322531 8.7790120
8.8904290 9.1802409 9.2270453 9.3258170 9.3562956
9.5911268 9.7304341 9.8716452 10.0451250 10.1475091
10.2059591
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034339 0.0034339 0.0034339 0.0034340
0.0034340 28.3669789 31.8368256 35.0438377 39.5735644
42.4356766 44.0862696 52.4968801 55.9754557 58.3928694
64.7737232 72.3625981 73.3853238 77.8705278 81.8801651
84.5734711 85.0702834 93.6555755 95.2992112 99.6012852
101.9977497 106.5777134 114.0025711 115.6184337 117.5782995
120.5045405 120.8150326 125.4625474 129.5556468 132.8614925
134.8771439 138.3282106 141.0758584 142.7279561 144.7661923
145.4348130 149.9571564 154.0508033 156.6516058 160.2440621
162.4477795 166.7951627 170.4574047 172.8647689 174.5180358
177.0484165 181.1032354 187.3571148 189.5178013 193.7126002
195.8086040 196.6528103 205.2368465 206.1165777 212.8117657
213.6113242 217.4040673 219.0331326 224.5090473 232.0943179
235.4084349 239.1859619 242.0953455 245.7535618 247.5898819
251.0048348 253.7638186 254.0284959 260.4208621 262.0343258
265.8353631 270.0389661 271.2764544 275.0976182 276.1488368
283.0643836 284.9224523 290.8431019 293.3923104 296.0336116
297.4282453 299.4041261 300.9786091 303.5973315 305.1983166
305.9296600 308.4616002 315.8196667 317.1955934 321.7496634
323.7849356 329.0200153 329.8576853 331.6184805 332.1599353
336.3025000 338.7360260 341.1850934 344.1699532 345.9194677
346.9142915
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 191
Rtb_to_modes> Number of blocs = 62
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: 9.9952E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.8239E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 8.5955E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1041
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1328
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1527
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1648
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2337
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2657
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2892
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3558
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4441
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4567
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5142
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5685
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6066
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6137
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.7438
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.7702
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.8413
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.8822
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.9633
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.102
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.134
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.172
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.231
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.238
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.335
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.423
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.497
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 1.543
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 1.623
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 1.688
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 1.728
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 1.777
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 1.794
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 1.907
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.013
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 2.081
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 2.178
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 2.238
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 2.359
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 2.464
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 2.534
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 2.583
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 2.658
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 2.781
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 2.977
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 3.046
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 3.182
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 3.251
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 3.280
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 3.572
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 3.603
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 3.841
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 3.870
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4.008
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4.068
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 4.274
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 4.568
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 4.700
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 4.852
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 4.970
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 5.122
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 5.198
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 5.343
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 5.461
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 5.472
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 5.751
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 5.823
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 5.993
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 6.184
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 6.241
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 6.418
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 6.467
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 6.795
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 6.884
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 7.173
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 7.300
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 7.432
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 7.502
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 7.602
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 7.682
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 7.816
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 7.899
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 7.937
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 8.069
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 8.458
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 8.532
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 8.779
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 8.890
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 9.180
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 9.227
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 9.326
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 9.356
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 9.591
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 9.730
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 9.872
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 10.05
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 10.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 10.21
Rtb_to_modes> 106 vectors, with 372 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99994 1.00001 1.00001 1.00000 1.00000
1.00003 0.99999 1.00000 1.00001 1.00002
1.00004 1.00003 1.00003 0.99998 0.99999
0.99998 1.00001 0.99999 1.00000 1.00004
1.00001 1.00001 0.99998 1.00001 1.00001
0.99998 0.99998 1.00003 1.00004 1.00002
1.00001 1.00001 1.00001 1.00001 1.00000
1.00003 1.00001 0.99995 1.00002 1.00002
1.00000 1.00000 1.00001 0.99997 1.00001
1.00002 1.00002 1.00004 0.99999 1.00001
1.00005 0.99999 0.99997 1.00002 1.00001
0.99998 0.99998 1.00001 0.99998 1.00000
1.00003 0.99997 0.99998 0.99999 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
0.99999 0.99999 0.99995 0.99999 0.99997
1.00002 0.99999 1.00003 0.99997 0.99999
1.00003 1.00000 1.00000 1.00001 1.00001
1.00002 0.99999 1.00002 1.00001 1.00001
1.00001 1.00004 1.00002 1.00002 0.99998
1.00000 0.99998 1.00002 1.00001 1.00003
0.99999 1.00000 1.00001 1.00002 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 3438 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99994 1.00001 1.00001 1.00000 1.00000
1.00003 0.99999 1.00000 1.00001 1.00002
1.00004 1.00003 1.00003 0.99998 0.99999
0.99998 1.00001 0.99999 1.00000 1.00004
1.00001 1.00001 0.99998 1.00001 1.00001
0.99998 0.99998 1.00003 1.00004 1.00002
1.00001 1.00001 1.00001 1.00001 1.00000
1.00003 1.00001 0.99995 1.00002 1.00002
1.00000 1.00000 1.00001 0.99997 1.00001
1.00002 1.00002 1.00004 0.99999 1.00001
1.00005 0.99999 0.99997 1.00002 1.00001
0.99998 0.99998 1.00001 0.99998 1.00000
1.00003 0.99997 0.99998 0.99999 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
0.99999 0.99999 0.99995 0.99999 0.99997
1.00002 0.99999 1.00003 0.99997 0.99999
1.00003 1.00000 1.00000 1.00001 1.00001
1.00002 0.99999 1.00002 1.00001 1.00001
1.00001 1.00004 1.00002 1.00002 0.99998
1.00000 0.99998 1.00002 1.00001 1.00003
0.99999 1.00000 1.00001 1.00002 1.00000
1.00002
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> 2402161052242961240.eigenfacs
Openam> file on opening on unit 10:
2402161052242961240.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402161052242961240.atom
Openam> file on opening on unit 11:
2402161052242961240.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 = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
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: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.8239E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 8.5955E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1041
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1328
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1648
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4441
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4567
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8413
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8822
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.231
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.497
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 1.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.794
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 2.081
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 2.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 2.238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 2.359
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 2.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 2.534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 2.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 3.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 3.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 3.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 3.280
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 3.572
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 3.603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 3.841
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 3.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 4.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 4.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4.970
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 5.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 5.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 5.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 5.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 5.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 5.751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 5.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 5.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 6.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 6.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 6.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 6.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 6.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 6.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 7.173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 7.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 7.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 7.502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 7.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 7.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 7.816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 7.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 7.937
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 8.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 8.458
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 8.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 8.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 8.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 9.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 9.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 9.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 9.356
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 9.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 9.730
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 9.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 10.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 10.21
Bfactors> 106 vectors, 573 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 : 0.068239
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= 0.344 for 191 C-alpha atoms.
Bfactors> = 9.097 +/- 16.22
Bfactors> = 21.846 +/- 11.71
Bfactors> Shiftng-fct= 12.749
Bfactors> Scaling-fct= 0.722
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
project conformational change on normal modes
Projmod> Version 1.36, April 2003.
Projmod> Projection of a difference vector on a set of eigenvectors.
Getnam> CERFACS file with the eigenvectors ?
Getnam> 2402161052242961240.eigenfacs
Openam> file on opening on unit 10:
2402161052242961240.eigenfacs
Getnam> Pdb file with the reference structure ?
Getnam> 2402161052242961240.atom
Openam> file on opening on unit 11:
2402161052242961240.atom
Getnam> Pdb file with the other conformer ?
Getnam> 2402161052242961240.atom2
Openam> file on opening on unit 12:
2402161052242961240.atom2
Getrep> Are the masses given in the pdb file ? (y/n)
Getrep> F
Projmod> All masses will all be assumed to be of 1.
Getrep> Displacement along one mode ? (y/n)
Getrep> F
Openam> file on opening on unit 13:
projmod.res
Openam> file on opening on unit 14:
dr.res
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 28.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 31.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 39.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 42.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 44.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 52.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 55.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 58.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 64.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 72.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 73.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 77.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 81.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 84.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 85.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 93.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 95.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 99.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 102.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 106.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 114.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 117.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 120.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 125.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 129.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 132.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 134.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 138.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 141.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 142.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 144.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 145.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 150.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 154.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 156.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 160.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 162.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 166.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 170.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 172.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 174.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 177.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 181.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 187.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 189.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 193.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 195.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 196.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 205.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 206.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 212.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 213.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 217.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 219.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 224.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 232.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 235.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 239.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 242.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 245.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 247.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 251.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 253.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 254.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 260.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 262.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 265.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 270.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 271.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 275.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 276.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 283.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 284.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 290.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 293.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 296.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 297.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 299.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 301.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 303.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 305.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 305.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 308.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 315.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 317.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 321.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 323.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 329.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 329.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 331.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 332.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 336.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 338.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 341.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 344.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 345.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 347.0
Projmod> 106 vectors, 573 coordinates in file.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
Projmod> Cartesian (eigen)vectors will be studied.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 183
First residue number = 96
Last residue number = 288
Number of atoms found = 191
Mean number per residue = 1.0
%Projmod-Wn> Atom 148 belongs to residue ARG in a file and SER in the other.
%Projmod-Wn> 1 atoms belong to different residues in the two pdb files.
Projmod> File dr.res: displacement=f(atom number).
Projmod> 191 atoms are considered.
Projmod> Atomic r.m.s. displacements= 0.00
Projmod> Atomic average masses = 1.00 +/- 0.00
Projmod> File projmod.res: dr.vector=f(fqcy), and cumulative square sum.
%Projmod-Wn> Eigenvector 1 Norm= 0.9998
Vector: 1 F= 0.00 Cos= 0.052 Sum= 0.003 q= 0.0021
Vector: 2 F= 0.00 Cos= -0.056 Sum= 0.006 q= -0.0023
Vector: 3 F= 0.00 Cos= 0.003 Sum= 0.006 q= 0.0001
Vector: 4 F= 0.00 Cos= 0.012 Sum= 0.006 q= 0.0005
Vector: 5 F= 0.00 Cos= 0.000 Sum= 0.006 q= 0.0000
%Projmod-Wn> Eigenvector 6 Norm= 1.0001
Vector: 6 F= 0.00 Cos= -0.010 Sum= 0.006 q= -0.0004
%Projmod-Wn> Eigenvector 7 Norm= 0.9998
Vector: 7 F= 28.37 Cos= 0.008 Sum= 0.006 q= 0.0003
Vector: 8 F= 31.84 Cos= -0.007 Sum= 0.006 q= -0.0003
Vector: 9 F= 35.03 Cos= -0.003 Sum= 0.006 q= -0.0001
Vector: 10 F= 39.57 Cos= -0.016 Sum= 0.006 q= -0.0006
Vector: 11 F= 42.43 Cos= 0.002 Sum= 0.006 q= 0.0001
Vector: 12 F= 44.08 Cos= 0.009 Sum= 0.007 q= 0.0004
Vector: 13 F= 52.49 Cos= -0.011 Sum= 0.007 q= -0.0004
Vector: 14 F= 55.97 Cos= -0.023 Sum= 0.007 q= -0.0009
Vector: 15 F= 58.40 Cos= 0.026 Sum= 0.008 q= 0.0011
Vector: 16 F= 64.77 Cos= -0.012 Sum= 0.008 q= -0.0005
Vector: 17 F= 72.36 Cos= -0.012 Sum= 0.008 q= -0.0005
Vector: 18 F= 73.38 Cos= 0.009 Sum= 0.008 q= 0.0004
Vector: 19 F= 77.87 Cos= -0.041 Sum= 0.010 q= -0.0017
%Projmod-Wn> Eigenvector 20 Norm= 1.0001
Vector: 20 F= 81.87 Cos= -0.017 Sum= 0.010 q= -0.0007
Vector: 21 F= 84.57 Cos= 0.009 Sum= 0.010 q= 0.0004
Vector: 22 F= 85.07 Cos= -0.041 Sum= 0.012 q= -0.0017
Vector: 23 F= 93.65 Cos= -0.045 Sum= 0.014 q= -0.0019
Vector: 24 F= 95.30 Cos= -0.028 Sum= 0.015 q= -0.0011
Vector: 25 F= 99.60 Cos= 0.022 Sum= 0.015 q= 0.0009
Vector: 26 F= 101.99 Cos= -0.006 Sum= 0.015 q= -0.0003
Vector: 27 F= 106.58 Cos= 0.009 Sum= 0.015 q= 0.0004
Vector: 28 F= 113.99 Cos= -0.016 Sum= 0.016 q= -0.0006
Vector: 29 F= 115.63 Cos= 0.008 Sum= 0.016 q= 0.0003
Vector: 30 F= 117.55 Cos= 0.080 Sum= 0.022 q= 0.0033
Vector: 31 F= 120.48 Cos= 0.013 Sum= 0.022 q= 0.0005
Vector: 32 F= 120.82 Cos= -0.058 Sum= 0.026 q= -0.0024
Vector: 33 F= 125.46 Cos= 0.037 Sum= 0.027 q= 0.0015
Vector: 34 F= 129.53 Cos= 0.021 Sum= 0.028 q= 0.0008
Vector: 35 F= 132.86 Cos= 0.029 Sum= 0.028 q= 0.0012
Vector: 36 F= 134.88 Cos= 0.011 Sum= 0.028 q= 0.0004
%Projmod-Wn> Eigenvector 37 Norm= 1.0001
Vector: 37 F= 138.34 Cos= 0.009 Sum= 0.029 q= 0.0004
%Projmod-Wn> Eigenvector 38 Norm= 0.9999
Vector: 38 F= 141.08 Cos= 0.014 Sum= 0.029 q= 0.0006
Vector: 39 F= 142.74 Cos= -0.092 Sum= 0.037 q= -0.0037
Vector: 40 F= 144.75 Cos= 0.024 Sum= 0.038 q= 0.0010
Vector: 41 F= 145.44 Cos= -0.045 Sum= 0.040 q= -0.0018
Vector: 42 F= 149.95 Cos= 0.015 Sum= 0.040 q= 0.0006
Vector: 43 F= 154.06 Cos= -0.075 Sum= 0.046 q= -0.0031
Vector: 44 F= 156.64 Cos= -0.020 Sum= 0.046 q= -0.0008
Vector: 45 F= 160.25 Cos= 0.035 Sum= 0.047 q= 0.0014
Vector: 46 F= 162.45 Cos= -0.033 Sum= 0.048 q= -0.0013
Vector: 47 F= 166.78 Cos= -0.002 Sum= 0.048 q= -0.0001
Vector: 48 F= 170.45 Cos= 0.032 Sum= 0.049 q= 0.0013
Vector: 49 F= 172.85 Cos= 0.024 Sum= 0.050 q= 0.0010
Vector: 50 F= 174.52 Cos= -0.026 Sum= 0.051 q= -0.0011
Vector: 51 F= 177.03 Cos= -0.025 Sum= 0.051 q= -0.0010
Vector: 52 F= 181.08 Cos= -0.059 Sum= 0.055 q= -0.0024
Vector: 53 F= 187.36 Cos= -0.050 Sum= 0.057 q= -0.0020
Vector: 54 F= 189.51 Cos= 0.051 Sum= 0.060 q= 0.0021
Vector: 55 F= 193.70 Cos= 0.023 Sum= 0.060 q= 0.0009
%Projmod-Wn> Eigenvector 56 Norm= 0.9999
Vector: 56 F= 195.79 Cos= -0.081 Sum= 0.067 q= -0.0033
Vector: 57 F= 196.66 Cos= -0.001 Sum= 0.067 q= -0.0000
Vector: 58 F= 205.23 Cos= -0.045 Sum= 0.069 q= -0.0018
Vector: 59 F= 206.11 Cos= -0.018 Sum= 0.069 q= -0.0008
Vector: 60 F= 212.81 Cos= -0.004 Sum= 0.069 q= -0.0002
%Projmod-Wn> Eigenvector 61 Norm= 1.0001
Vector: 61 F= 213.62 Cos= 0.008 Sum= 0.069 q= 0.0003
Vector: 62 F= 217.39 Cos= 0.045 Sum= 0.071 q= 0.0018
Vector: 63 F= 219.01 Cos= 0.019 Sum= 0.072 q= 0.0008
Vector: 64 F= 224.49 Cos= -0.024 Sum= 0.072 q= -0.0010
Vector: 65 F= 232.08 Cos= -0.020 Sum= 0.073 q= -0.0008
Vector: 66 F= 235.41 Cos= 0.030 Sum= 0.074 q= 0.0012
Vector: 67 F= 239.19 Cos= -0.014 Sum= 0.074 q= -0.0006
Vector: 68 F= 242.08 Cos= -0.004 Sum= 0.074 q= -0.0002
Vector: 69 F= 245.75 Cos= 0.027 Sum= 0.075 q= 0.0011
Vector: 70 F= 247.57 Cos= 0.035 Sum= 0.076 q= 0.0014
Vector: 71 F= 251.00 Cos= 0.037 Sum= 0.077 q= 0.0015
Vector: 72 F= 253.75 Cos= 0.020 Sum= 0.078 q= 0.0008
%Projmod-Wn> Eigenvector 73 Norm= 0.9999
Vector: 73 F= 254.01 Cos= -0.007 Sum= 0.078 q= -0.0003
Vector: 74 F= 260.40 Cos= -0.002 Sum= 0.078 q= -0.0001
%Projmod-Wn> Eigenvector 75 Norm= 0.9999
Vector: 75 F= 262.03 Cos= -0.010 Sum= 0.078 q= -0.0004
Vector: 76 F= 265.83 Cos= 0.046 Sum= 0.080 q= 0.0019
Vector: 77 F= 270.03 Cos= 0.013 Sum= 0.080 q= 0.0005
Vector: 78 F= 271.27 Cos= -0.030 Sum= 0.081 q= -0.0012
Vector: 79 F= 275.09 Cos= 0.001 Sum= 0.081 q= 0.0000
Vector: 80 F= 276.14 Cos= -0.002 Sum= 0.081 q= -0.0001
Vector: 81 F= 283.06 Cos= 0.006 Sum= 0.081 q= 0.0002
Vector: 82 F= 284.90 Cos= -0.020 Sum= 0.081 q= -0.0008
Vector: 83 F= 290.82 Cos= -0.024 Sum= 0.082 q= -0.0010
Vector: 84 F= 293.39 Cos= -0.009 Sum= 0.082 q= -0.0004
Vector: 85 F= 296.03 Cos= 0.048 Sum= 0.084 q= 0.0020
Vector: 86 F= 297.42 Cos= -0.018 Sum= 0.085 q= -0.0008
Vector: 87 F= 299.39 Cos= 0.044 Sum= 0.087 q= 0.0018
Vector: 88 F= 300.96 Cos= 0.045 Sum= 0.089 q= 0.0019
Vector: 89 F= 303.58 Cos= -0.002 Sum= 0.089 q= -0.0001
Vector: 90 F= 305.18 Cos= -0.007 Sum= 0.089 q= -0.0003
Vector: 91 F= 305.92 Cos= -0.016 Sum= 0.089 q= -0.0007
Vector: 92 F= 308.45 Cos= 0.010 Sum= 0.089 q= 0.0004
Vector: 93 F= 315.80 Cos= 0.028 Sum= 0.090 q= 0.0012
Vector: 94 F= 317.18 Cos= 0.041 Sum= 0.092 q= 0.0017
Vector: 95 F= 321.74 Cos= -0.003 Sum= 0.092 q= -0.0001
Vector: 96 F= 323.76 Cos= -0.015 Sum= 0.092 q= -0.0006
Vector: 97 F= 329.00 Cos= -0.001 Sum= 0.092 q= -0.0001
Vector: 98 F= 329.84 Cos= -0.022 Sum= 0.092 q= -0.0009
Vector: 99 F= 331.61 Cos= -0.017 Sum= 0.093 q= -0.0007
Vector: 100 F= 332.14 Cos= 0.011 Sum= 0.093 q= 0.0005
Vector: 101 F= 336.29 Cos= 0.020 Sum= 0.093 q= 0.0008
Vector: 102 F= 338.71 Cos= 0.006 Sum= 0.093 q= 0.0002
Vector: 103 F= 341.18 Cos= -0.001 Sum= 0.093 q= -0.0000
Vector: 104 F= 344.24 Cos= 0.002 Sum= 0.093 q= 0.0001
Vector: 105 F= 345.95 Cos= 0.037 Sum= 0.095 q= 0.0015
Vector: 106 F= 346.97 Cos= 0.003 Sum= 0.095 q= 0.0001
Projmod> Best zero-frequency found : 0.003433
Projmod> 6 frequencies less than: 0.003434
Projmod> Lowest non-zero frequency : 28.365665
Projmod> Best overlap with diff.vect. = -0.09 for mode 39 with F= 142.74 cm-1.
Projmod> 1-3-6-9-12-all-best contrb. = 0.008 0.021 0.034 0.042 0.049 0.095
Projmod> Normal end.
getting mode 7
running: ../../bin/get_modes.sh 2402161052242961240 7 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=7 DQ=-100 183 7.383 157 1.135
MODEL 2 MODE=7 DQ=-80 183 5.907 164 1.016
MODEL 3 MODE=7 DQ=-60 183 4.430 167 0.984
MODEL 4 MODE=7 DQ=-40 183 2.953 174 0.790
MODEL 5 MODE=7 DQ=-20 183 1.477 175 0.467
MODEL 6 MODE=7 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=7 DQ=20 183 1.477 175 0.468
MODEL 8 MODE=7 DQ=40 183 2.953 174 0.794
MODEL 9 MODE=7 DQ=60 183 4.430 167 0.991
MODEL 10 MODE=7 DQ=80 183 5.906 164 1.022
MODEL 11 MODE=7 DQ=100 183 7.383 159 1.161
getting mode 8
running: ../../bin/get_modes.sh 2402161052242961240 8 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=8 DQ=-100 183 7.386 136 1.299
MODEL 2 MODE=8 DQ=-80 183 5.909 147 1.444
MODEL 3 MODE=8 DQ=-60 183 4.432 166 1.379
MODEL 4 MODE=8 DQ=-40 183 2.955 175 1.059
MODEL 5 MODE=8 DQ=-20 183 1.477 180 0.658
MODEL 6 MODE=8 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=8 DQ=20 183 1.477 180 0.658
MODEL 8 MODE=8 DQ=40 183 2.955 175 1.059
MODEL 9 MODE=8 DQ=60 183 4.432 166 1.377
MODEL 10 MODE=8 DQ=80 183 5.909 147 1.436
MODEL 11 MODE=8 DQ=100 183 7.386 137 1.286
getting mode 9
running: ../../bin/get_modes.sh 2402161052242961240 9 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=9 DQ=-100 183 7.357 110 1.241
MODEL 2 MODE=9 DQ=-80 183 5.886 121 1.245
MODEL 3 MODE=9 DQ=-60 183 4.414 131 1.169
MODEL 4 MODE=9 DQ=-40 183 2.943 148 1.153
MODEL 5 MODE=9 DQ=-20 183 1.471 170 1.043
MODEL 6 MODE=9 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=9 DQ=20 183 1.471 170 1.043
MODEL 8 MODE=9 DQ=40 183 2.943 148 1.146
MODEL 9 MODE=9 DQ=60 183 4.414 132 1.160
MODEL 10 MODE=9 DQ=80 183 5.886 119 1.254
MODEL 11 MODE=9 DQ=100 183 7.357 110 1.125
getting mode 10
running: ../../bin/get_modes.sh 2402161052242961240 10 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=10 DQ=-100 183 7.365 104 1.574
MODEL 2 MODE=10 DQ=-80 183 5.892 118 1.540
MODEL 3 MODE=10 DQ=-60 183 4.419 151 1.555
MODEL 4 MODE=10 DQ=-40 183 2.946 161 1.182
MODEL 5 MODE=10 DQ=-20 183 1.473 175 0.798
MODEL 6 MODE=10 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=10 DQ=20 183 1.473 175 0.798
MODEL 8 MODE=10 DQ=40 183 2.946 161 1.183
MODEL 9 MODE=10 DQ=60 183 4.419 151 1.557
MODEL 10 MODE=10 DQ=80 183 5.892 118 1.542
MODEL 11 MODE=10 DQ=100 183 7.365 103 1.551
getting mode 11
running: ../../bin/get_modes.sh 2402161052242961240 11 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=11 DQ=-100 183 7.373 131 1.359
MODEL 2 MODE=11 DQ=-80 183 5.899 140 1.253
MODEL 3 MODE=11 DQ=-60 183 4.424 148 1.160
MODEL 4 MODE=11 DQ=-40 183 2.949 168 1.082
MODEL 5 MODE=11 DQ=-20 183 1.475 176 0.710
MODEL 6 MODE=11 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=11 DQ=20 183 1.475 176 0.710
MODEL 8 MODE=11 DQ=40 183 2.949 168 1.083
MODEL 9 MODE=11 DQ=60 183 4.424 148 1.158
MODEL 10 MODE=11 DQ=80 183 5.899 140 1.252
MODEL 11 MODE=11 DQ=100 183 7.373 131 1.348
getting mode 12
running: ../../bin/get_modes.sh 2402161052242961240 12 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=12 DQ=-100 183 7.380 139 1.399
MODEL 2 MODE=12 DQ=-80 183 5.904 147 1.242
MODEL 3 MODE=12 DQ=-60 183 4.428 155 1.081
MODEL 4 MODE=12 DQ=-40 183 2.952 165 0.911
MODEL 5 MODE=12 DQ=-20 183 1.476 178 0.667
MODEL 6 MODE=12 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=12 DQ=20 183 1.476 178 0.667
MODEL 8 MODE=12 DQ=40 183 2.952 165 0.909
MODEL 9 MODE=12 DQ=60 183 4.428 155 1.073
MODEL 10 MODE=12 DQ=80 183 5.904 146 1.195
MODEL 11 MODE=12 DQ=100 183 7.380 140 1.362
getting mode 13
running: ../../bin/get_modes.sh 2402161052242961240 13 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=13 DQ=-100 183 7.367 113 1.656
MODEL 2 MODE=13 DQ=-80 183 5.893 125 1.510
MODEL 3 MODE=13 DQ=-60 183 4.420 141 1.381
MODEL 4 MODE=13 DQ=-40 183 2.947 156 1.230
MODEL 5 MODE=13 DQ=-20 183 1.473 176 0.897
MODEL 6 MODE=13 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=13 DQ=20 183 1.473 176 0.897
MODEL 8 MODE=13 DQ=40 183 2.947 156 1.228
MODEL 9 MODE=13 DQ=60 183 4.420 141 1.377
MODEL 10 MODE=13 DQ=80 183 5.893 124 1.500
MODEL 11 MODE=13 DQ=100 183 7.367 113 1.646
getting mode 14
running: ../../bin/get_modes.sh 2402161052242961240 14 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=14 DQ=-100 183 7.330 76 1.662
MODEL 2 MODE=14 DQ=-80 183 5.864 85 1.543
MODEL 3 MODE=14 DQ=-60 183 4.398 97 1.871
MODEL 4 MODE=14 DQ=-40 183 2.932 142 1.742
MODEL 5 MODE=14 DQ=-20 183 1.466 176 1.218
MODEL 6 MODE=14 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=14 DQ=20 183 1.466 176 1.218
MODEL 8 MODE=14 DQ=40 183 2.932 142 1.742
MODEL 9 MODE=14 DQ=60 183 4.398 97 1.871
MODEL 10 MODE=14 DQ=80 183 5.864 85 1.585
MODEL 11 MODE=14 DQ=100 183 7.330 71 1.678
getting mode 15
running: ../../bin/get_modes.sh 2402161052242961240 15 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=15 DQ=-100 183 7.369 84 1.858
MODEL 2 MODE=15 DQ=-80 183 5.895 107 1.849
MODEL 3 MODE=15 DQ=-60 183 4.421 128 1.637
MODEL 4 MODE=15 DQ=-40 183 2.948 151 1.447
MODEL 5 MODE=15 DQ=-20 183 1.474 173 1.045
MODEL 6 MODE=15 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=15 DQ=20 183 1.474 173 1.045
MODEL 8 MODE=15 DQ=40 183 2.947 151 1.447
MODEL 9 MODE=15 DQ=60 183 4.421 130 1.661
MODEL 10 MODE=15 DQ=80 183 5.895 107 1.860
MODEL 11 MODE=15 DQ=100 183 7.369 84 1.917
getting mode 16
running: ../../bin/get_modes.sh 2402161052242961240 16 -100 100 20 on on
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=-20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=0
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=20
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=40
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=60
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=80
2402161052242961240.eigenfacs
2402161052242961240.atom
calculating perturbed structure for DQ=100
2402161052242961240.eigenfacs
2402161052242961240.atom
making animated gifs
11 models are in 2402161052242961240.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2402161052242961240.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
compute RMSD to second conformer
MODEL 1 MODE=16 DQ=-100 183 7.346 92 1.707
MODEL 2 MODE=16 DQ=-80 183 5.877 102 1.539
MODEL 3 MODE=16 DQ=-60 183 4.408 130 1.597
MODEL 4 MODE=16 DQ=-40 183 2.939 156 1.391
MODEL 5 MODE=16 DQ=-20 183 1.469 173 0.981
MODEL 6 MODE=16 DQ=0 183 0.003 183 0.003
MODEL 7 MODE=16 DQ=20 183 1.469 173 0.980
MODEL 8 MODE=16 DQ=40 183 2.939 156 1.387
MODEL 9 MODE=16 DQ=60 183 4.408 131 1.612
MODEL 10 MODE=16 DQ=80 183 5.877 102 1.558
MODEL 11 MODE=16 DQ=100 183 7.347 91 1.717
2402161052242961240.10.pdb
2402161052242961240.11.pdb
2402161052242961240.12.pdb
2402161052242961240.13.pdb
2402161052242961240.14.pdb
2402161052242961240.15.pdb
2402161052242961240.16.pdb
2402161052242961240.7.pdb
2402161052242961240.8.pdb
2402161052242961240.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m0.802s
user 0m0.790s
sys 0m0.012s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2402161052242961240.Chkmod.res: No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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