CNRS Nantes University US2B US2B
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LOGs for ID: 2604281213322860870

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 = 2604281213322860870.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 2604281213322860870.atom to be opened. Openam> File opened: 2604281213322860870.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 = 311 First residue number = 2 Last residue number = 158 Number of atoms found = 311 Mean number per residue = 1.0 Pdbmat> Coordinate statistics: = 14.378077 +/- 8.637171 From: -5.678000 To: 33.518000 = 9.446650 +/- 13.022937 From: -19.313000 To: 36.543000 = 19.356074 +/- 12.528801 From: -8.665000 To: 48.110000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 3.4915 % Filled. Pdbmat> 15213 non-zero elements. Pdbmat> 1483 atom-atom interactions. Pdbmat> Number per atom= 9.54 +/- 2.82 Maximum number = 16 Minimum number = 4 Pdbmat> Matrix trace = 29660.0 Pdbmat> Larger element = 69.7646 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 311 non-zero elements, NRBL set to 2 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 2604281213322860870.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 2 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 2604281213322860870.atom to be opened. Openam> file on opening on unit 11: 2604281213322860870.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 311 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 311 residues. %Blocpdb-Wn> 2 atoms in block 1 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 2th, in residue A 3 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 1 Block first atom: 1 %Blocpdb-Wn> 2 atoms in block 2 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 6th, in residue A 7 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 2 Block first atom: 5 %Blocpdb-Wn> 2 atoms in block 3 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 10th, in residue A 11 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 3 Block first atom: 9 %Blocpdb-Wn> 2 atoms in block 4 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 14th, in residue A 15 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 4 Block first atom: 13 %Blocpdb-Wn> 2 atoms in block 5 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 18th, in residue A 19 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 5 Block first atom: 17 %Blocpdb-Wn> 2 atoms in block 6 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 22th, in residue A 23 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 6 Block first atom: 21 %Blocpdb-Wn> 2 atoms in block 7 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 26th, in residue A 27 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 7 Block first atom: 25 %Blocpdb-Wn> 2 atoms in block 8 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 30th, in residue A 31 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 8 Block first atom: 29 %Blocpdb-Wn> 2 atoms in block 9 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 34th, in residue A 35 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 9 Block first atom: 33 %Blocpdb-Wn> 2 atoms in block 10 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 38th, in residue A 39 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 10 Block first atom: 37 %Blocpdb-Wn> 2 atoms in block 11 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 42th, in residue A 43 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 11 Block first atom: 41 %Blocpdb-Wn> 2 atoms in block 12 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 46th, in residue A 47 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 12 Block first atom: 45 %Blocpdb-Wn> 2 atoms in block 13 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 50th, in residue A 51 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 13 Block first atom: 49 %Blocpdb-Wn> 2 atoms in block 14 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 54th, in residue A 55 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 14 Block first atom: 53 %Blocpdb-Wn> 2 atoms in block 15 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 58th, in residue A 59 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 15 Block first atom: 57 %Blocpdb-Wn> 2 atoms in block 16 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 62th, in residue A 63 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 16 Block first atom: 61 %Blocpdb-Wn> 2 atoms in block 17 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 66th, in residue A 67 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 17 Block first atom: 65 %Blocpdb-Wn> 2 atoms in block 18 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 70th, in residue A 71 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 18 Block first atom: 69 %Blocpdb-Wn> 2 atoms in block 19 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 74th, in residue A 75 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 19 Block first atom: 73 %Blocpdb-Wn> 2 atoms in block 20 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 78th, in residue A 79 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 20 Block first atom: 77 %Blocpdb-Wn> 2 atoms in block 21 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 82th, in residue A 83 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 21 Block first atom: 81 %Blocpdb-Wn> 2 atoms in block 22 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 86th, in residue A 87 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 22 Block first atom: 85 %Blocpdb-Wn> 2 atoms in block 23 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 90th, in residue A 91 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 23 Block first atom: 89 %Blocpdb-Wn> 2 atoms in block 24 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 94th, in residue A 95 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 24 Block first atom: 93 %Blocpdb-Wn> 2 atoms in block 25 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 98th, in residue A 99 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 25 Block first atom: 97 %Blocpdb-Wn> 2 atoms in block 26 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 102th, in residue A 103 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 26 Block first atom: 101 %Blocpdb-Wn> 2 atoms in block 27 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 106th, in residue A 107 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 27 Block first atom: 105 %Blocpdb-Wn> 2 atoms in block 28 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 110th, in residue A 111 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 28 Block first atom: 109 %Blocpdb-Wn> 2 atoms in block 29 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 114th, in residue A 115 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 29 Block first atom: 113 %Blocpdb-Wn> 2 atoms in block 30 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 118th, in residue A 119 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 30 Block first atom: 117 %Blocpdb-Wn> 2 atoms in block 31 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 122th, in residue A 123 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 31 Block first atom: 121 %Blocpdb-Wn> 2 atoms in block 32 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 126th, in residue A 127 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 32 Block first atom: 125 %Blocpdb-Wn> 2 atoms in block 33 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 130th, in residue A 131 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 33 Block first atom: 129 %Blocpdb-Wn> 2 atoms in block 34 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 134th, in residue A 135 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 34 Block first atom: 133 %Blocpdb-Wn> 2 atoms in block 35 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 138th, in residue A 139 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 35 Block first atom: 137 %Blocpdb-Wn> 2 atoms in block 36 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 142th, in residue A 143 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 36 Block first atom: 141 %Blocpdb-Wn> 2 atoms in block 37 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 146th, in residue A 147 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 37 Block first atom: 145 %Blocpdb-Wn> 2 atoms in block 38 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 150th, in residue A 151 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 38 Block first atom: 149 %Blocpdb-Wn> 2 atoms in block 39 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 154th, in residue A 155 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 39 Block first atom: 153 %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 157th, in residue A 158 %Blocpdb-Wn> It is merged with the previous one. Blocpdb> 5 atoms in block 39 %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 159th, in residue B 3 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 40 Block first atom: 158 %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 163th, in residue B 7 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 41 Block first atom: 162 %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 167th, in residue B 11 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 42 Block first atom: 166 %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 171th, in residue B 15 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 43 Block first atom: 170 %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 175th, in residue B 19 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 44 Block first atom: 174 %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 179th, in residue B 23 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 45 Block first atom: 178 %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 183th, in residue B 27 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 46 Block first atom: 182 %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 187th, in residue B 31 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 47 Block first atom: 186 %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 191th, in residue B 35 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 48 Block first atom: 190 %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 195th, in residue B 39 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 49 Block first atom: 194 %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 199th, in residue B 43 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 50 Block first atom: 198 %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 203th, in residue B 47 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 51 Block first atom: 202 %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 207th, in residue B 51 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 52 Block first atom: 206 %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 211th, in residue B 55 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 53 Block first atom: 210 %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 215th, in residue B 59 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 54 Block first atom: 214 %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 219th, in residue B 63 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 55 Block first atom: 218 %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 223th, in residue B 67 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 56 Block first atom: 222 %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 227th, in residue B 71 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 57 Block first atom: 226 %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 231th, in residue B 75 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 58 Block first atom: 230 %Blocpdb-Wn> 2 atoms in block 59 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 235th, in residue B 79 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 59 Block first atom: 234 %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 239th, in residue B 83 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 60 Block first atom: 238 %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 243th, in residue B 87 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 61 Block first atom: 242 %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 247th, in residue B 91 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 62 Block first atom: 246 %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 251th, in residue B 95 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 63 Block first atom: 250 %Blocpdb-Wn> 2 atoms in block 64 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 255th, in residue B 99 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 64 Block first atom: 254 %Blocpdb-Wn> 2 atoms in block 65 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 259th, in residue B 103 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 65 Block first atom: 258 %Blocpdb-Wn> 2 atoms in block 66 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 263th, in residue B 107 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 66 Block first atom: 262 %Blocpdb-Wn> 2 atoms in block 67 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 267th, in residue B 111 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 67 Block first atom: 266 %Blocpdb-Wn> 2 atoms in block 68 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 271th, in residue B 115 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 68 Block first atom: 270 %Blocpdb-Wn> 2 atoms in block 69 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 275th, in residue B 119 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 69 Block first atom: 274 %Blocpdb-Wn> 1 atoms in block 70 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 278th, in residue B 122 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 70 Block first atom: 278 %Blocpdb-Wn> 2 atoms in block 71 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 282th, in residue B 129 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 71 Block first atom: 281 %Blocpdb-Wn> 2 atoms in block 72 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 286th, in residue B 133 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 72 Block first atom: 285 %Blocpdb-Wn> 2 atoms in block 73 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 290th, in residue B 137 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 73 Block first atom: 289 %Blocpdb-Wn> 2 atoms in block 74 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 294th, in residue B 141 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 74 Block first atom: 293 %Blocpdb-Wn> 2 atoms in block 75 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 298th, in residue B 145 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 75 Block first atom: 297 %Blocpdb-Wn> 2 atoms in block 76 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 302th, in residue B 149 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 76 Block first atom: 301 %Blocpdb-Wn> 2 atoms in block 77 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 306th, in residue B 153 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 4 atoms in block 77 Block first atom: 305 Blocpdb> 3 atoms in block 78 Block first atom: 308 Blocpdb> 78 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> 15291 matrix lines read. Prepmat> Matrix order = 933 Prepmat> Matrix trace = 29660.0000 Prepmat> Last element read: 933 933 18.9572 Prepmat> 3082 lines saved. Prepmat> 2763 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: 311 RTB> Total mass = 311.0000 RTB> Number of atoms found in matrix: 311 RTB> Number of blocks = 78 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 11363.2679 RTB> 10278 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 = 468 Diagstd> Nb of non-zero elements: 10278 Diagstd> Projected matrix trace = 11363.2679 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 468 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 11363.2679 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 0.0455290 0.0676608 0.1151845 0.1453260 0.1531307 0.1811011 0.2102882 0.2277841 0.2711778 0.2882791 0.3273155 0.3489373 0.3939085 0.4226649 0.4658758 0.5046979 0.5247123 0.5595313 0.5856476 0.6303940 0.6750049 0.6898781 0.7159118 0.7796572 0.8522242 0.8605327 0.9211933 0.9547039 1.0318586 1.0864851 1.1116854 1.1564599 1.1827369 1.2032169 1.3335178 1.3661416 1.3984435 1.4705567 1.5608564 1.5870723 1.6402634 1.7852890 1.8413850 1.8557906 1.9111553 1.9546106 2.0326259 2.0640728 2.1026207 2.1253491 2.2044938 2.2569864 2.3952454 2.4642696 2.5032210 2.5954958 2.6874066 2.7438076 2.8263456 2.8627037 2.9204711 2.9599647 3.0525540 3.1442558 3.1643619 3.2421536 3.3417967 3.3840284 3.5031059 3.6128862 3.6794840 3.6948014 3.7922208 3.8141938 3.8507242 3.9553283 3.9753025 4.1052224 4.2997820 4.3487128 4.4419405 4.5061517 4.5738171 4.6525689 4.6671442 4.7570706 4.8520003 4.9989356 5.0891514 5.1750860 5.2026955 5.3608898 5.4629224 5.5841285 5.6827171 5.7016700 5.7360836 5.8635037 5.9659741 6.0409501 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034333 0.0034338 0.0034339 0.0034340 0.0034340 0.0034340 23.1706979 28.2464528 36.8546495 41.3968112 42.4938881 46.2121072 49.7969467 51.8271110 56.5486597 58.3044676 62.1267391 64.1459093 68.1542500 70.5981606 74.1191406 77.1455777 78.6603542 81.2283213 83.1023824 86.2186691 89.2172306 90.1947907 91.8808562 95.8842145 100.2471917 100.7346719 104.2247004 106.1034792 110.3075847 113.1897666 114.4949229 116.7778733 118.0971347 119.1152165 125.3991767 126.9238219 128.4155874 131.6849554 135.6677910 136.8023730 139.0759636 145.0940320 147.3559183 147.9311938 150.1216290 151.8187459 154.8189090 156.0119221 157.4619948 158.3107561 161.2314355 163.1397342 168.0622929 170.4666358 171.8085919 174.9465761 178.0172020 179.8755385 182.5609610 183.7314393 185.5759674 186.8265281 189.7260480 192.5547401 193.1694087 195.5294025 198.5113282 199.7617246 203.2459560 206.4060480 208.2997453 208.7328643 211.4667479 212.0785083 213.0916767 215.9665794 216.5112007 220.0207420 225.1741323 226.4517312 228.8661948 230.5144647 232.2387464 234.2295522 234.5961558 236.8454680 239.1969794 242.7918202 244.9728569 247.0324835 247.6905779 251.4280450 253.8094548 256.6096481 258.8649774 259.2962988 260.0776409 262.9504287 265.2381322 266.8995893 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 311 Rtb_to_modes> Number of blocs = 78 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: 9.9960E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9990E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9998E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 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: 4.5529E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 6.7661E-02 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.1152 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.1453 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.1531 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.1811 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.2103 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.2278 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.2712 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.2883 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.3273 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.3489 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.3939 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.4227 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.4659 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.5047 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.5247 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.5595 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.5856 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 0.6304 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 0.6750 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 0.6899 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 0.7159 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 0.7797 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 0.8522 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 0.8605 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 0.9212 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 0.9547 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 1.032 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 1.086 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 1.112 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 1.156 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 1.183 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 1.203 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 1.334 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 1.366 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 1.398 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 1.471 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 1.561 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 1.587 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 1.640 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 1.785 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 1.841 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 1.856 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 1.911 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 1.955 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 2.033 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 2.064 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 2.103 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 2.125 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 2.204 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 2.257 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 2.395 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 2.464 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 2.503 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 2.595 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 2.687 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 2.744 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 2.826 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 2.863 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 2.920 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 2.960 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 3.053 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 3.144 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 3.164 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 3.242 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 3.342 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 3.384 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 3.503 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 3.613 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 3.679 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 3.695 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 3.792 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 3.814 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 3.851 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 3.955 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 3.975 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 4.105 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 4.300 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 4.349 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 4.442 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 4.506 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 4.574 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 4.653 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 4.667 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 4.757 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 4.852 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 4.999 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 5.089 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 5.175 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 5.203 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 5.361 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 5.463 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 5.584 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 5.683 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 5.702 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 5.736 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 5.864 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 5.966 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 6.041 Rtb_to_modes> 106 vectors, with 468 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99999 0.99999 0.99999 1.00004 0.99997 1.00000 1.00000 1.00002 1.00003 0.99998 1.00001 0.99998 1.00001 0.99996 1.00000 1.00000 0.99999 0.99999 0.99999 1.00002 1.00000 0.99998 0.99998 1.00001 0.99997 1.00000 1.00001 0.99996 1.00001 1.00000 1.00002 1.00000 0.99998 1.00000 0.99999 1.00001 1.00001 1.00003 1.00001 1.00001 0.99998 0.99999 1.00004 0.99997 0.99996 0.99999 0.99998 0.99998 1.00000 1.00000 1.00000 0.99999 0.99998 1.00000 1.00003 1.00002 1.00001 1.00002 1.00002 1.00001 1.00004 1.00002 1.00000 1.00002 0.99999 0.99999 0.99999 0.99998 1.00001 1.00002 1.00002 1.00003 1.00001 1.00000 1.00003 0.99999 1.00002 0.99995 0.99999 1.00003 1.00001 0.99999 1.00004 0.99997 1.00004 1.00000 1.00001 1.00002 0.99998 0.99998 1.00003 1.00003 0.99997 0.99998 0.99999 1.00000 1.00003 1.00002 1.00001 1.00001 1.00001 1.00001 1.00003 1.00000 1.00002 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 5598 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99999 0.99999 0.99999 1.00004 0.99997 1.00000 1.00000 1.00002 1.00003 0.99998 1.00001 0.99998 1.00001 0.99996 1.00000 1.00000 0.99999 0.99999 0.99999 1.00002 1.00000 0.99998 0.99998 1.00001 0.99997 1.00000 1.00001 0.99996 1.00001 1.00000 1.00002 1.00000 0.99998 1.00000 0.99999 1.00001 1.00001 1.00003 1.00001 1.00001 0.99998 0.99999 1.00004 0.99997 0.99996 0.99999 0.99998 0.99998 1.00000 1.00000 1.00000 0.99999 0.99998 1.00000 1.00003 1.00002 1.00001 1.00002 1.00002 1.00001 1.00004 1.00002 1.00000 1.00002 0.99999 0.99999 0.99999 0.99998 1.00001 1.00002 1.00002 1.00003 1.00001 1.00000 1.00003 0.99999 1.00002 0.99995 0.99999 1.00003 1.00001 0.99999 1.00004 0.99997 1.00004 1.00000 1.00001 1.00002 0.99998 0.99998 1.00003 1.00003 0.99997 0.99998 0.99999 1.00000 1.00003 1.00002 1.00001 1.00001 1.00001 1.00001 1.00003 1.00000 1.00002 0.99999 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3:-0.000-0.000 Vector 4: 0.000-0.000-0.000 Vector 5: 0.000 0.000-0.000-0.000 Vector 6:-0.000 0.000 0.000-0.000-0.000 Vector 7:-0.000 0.000 0.000 0.000-0.000 0.000 Vector 8: 0.000 0.000-0.000-0.000-0.000 0.000-0.000 Vector 9: 0.000 0.000-0.000-0.000-0.000-0.000-0.000-0.000 Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2604281213322860870.eigenfacs Openam> file on opening on unit 10: 2604281213322860870.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2604281213322860870.atom Openam> file on opening on unit 11: 2604281213322860870.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 = 311 First residue number = 2 Last residue number = 158 Number of atoms found = 311 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: 9.9960E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 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: 4.5529E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 6.7661E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1152 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1453 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1531 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1811 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2103 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2278 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2712 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2883 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3273 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3489 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3939 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4227 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4659 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5047 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5247 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5595 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5856 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6304 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6750 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6899 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7159 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7797 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8522 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8605 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9212 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9547 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.032 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 1.086 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 1.112 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 1.156 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 1.183 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 1.203 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 1.334 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 1.366 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 1.398 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 1.471 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 1.561 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 1.587 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 1.640 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 1.785 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 1.841 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 1.856 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 1.911 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 1.955 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 2.033 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 2.064 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 2.103 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 2.125 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 2.204 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 2.257 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 2.395 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 2.464 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 2.503 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 2.595 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 2.687 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 2.744 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 2.826 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 2.863 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 2.920 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 2.960 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 3.053 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 3.144 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 3.164 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 3.242 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 3.342 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 3.384 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 3.503 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 3.613 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 3.679 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 3.695 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 3.792 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 3.814 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 3.851 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 3.955 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 3.975 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 4.105 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 4.300 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 4.349 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 4.442 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 4.506 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 4.574 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 4.653 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 4.667 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 4.757 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 4.852 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 4.999 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 5.089 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 5.175 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 5.203 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 5.361 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 5.463 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 5.584 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 5.683 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 5.702 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 5.736 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 5.864 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 5.966 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 6.041 Bfactors> 106 vectors, 933 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 : 0.045529 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= 0.637 for 311 C-alpha atoms. Bfactors> = 7.032 +/- 5.94 Bfactors> = 23.956 +/- 10.09 Bfactors> Shiftng-fct= 16.924 Bfactors> Scaling-fct= 1.699 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2604281213322860870.eigenfacs Openam> file on opening on unit 10: 2604281213322860870.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4331E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-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: 23.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 28.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 36.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 41.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 42.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 46.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 49.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 51.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 56.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 58.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 62.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 64.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 68.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 70.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 74.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 77.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 78.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 81.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 83.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 86.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 89.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 90.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 91.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 95.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 100.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 100.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 104.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 106.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 110.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 113.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 114.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 116.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 118.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 119.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 125.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 126.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 128.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 131.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 135.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 136.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 139.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 145.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 147.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 147.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 150.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 151.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 154.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 156.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 157.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 158.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 161.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 163.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 168.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 170.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 171.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 174.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 178.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 179.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 182.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 183.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 185.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 186.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 189.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 192.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 193.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 195.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 198.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 199.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 203.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 206.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 208.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 208.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 211.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 212.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 213.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 215.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 216.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 220.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 225.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 226.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 228.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 230.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 232.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 234.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 234.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 236.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 239.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 242.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 245.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 247.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 247.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 251.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 253.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 256.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 258.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 259.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 260.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 263.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 265.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 266.9 Chkmod> 106 vectors, 933 coordinates in file. Chkmod> That is: 311 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 14 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 55 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 83 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 85 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7169 0.0034 0.8694 0.0034 0.9504 0.0034 0.7016 0.0034 0.7554 0.0034 0.9813 23.1697 0.6954 28.2453 0.7114 36.8555 0.4624 41.3913 0.2821 42.4878 0.5377 46.2100 0.5551 49.7962 0.4279 51.8267 0.1858 56.5486 0.4081 58.3041 0.2985 62.1226 0.2235 64.1397 0.3571 68.1506 0.3218 70.5981 0.5645 74.1179 0.4919 77.1424 0.5406 78.6561 0.6779 81.2226 0.5489 83.0954 0.5242 86.2154 0.3725 89.2131 0.4537 90.1924 0.4997 91.8762 0.3047 95.8827 0.4011 100.2415 0.4288 100.7284 0.5093 104.2206 0.5328 106.0987 0.4747 110.3104 0.5663 113.1596 0.3112 114.5062 0.6697 116.7496 0.4059 118.1052 0.4646 119.0994 0.4821 125.4165 0.5109 126.9118 0.5448 128.3897 0.3862 131.6992 0.5255 135.6682 0.4947 136.7934 0.4387 139.0588 0.3983 145.0761 0.3614 147.3342 0.5070 147.9332 0.5588 150.1091 0.4586 151.8274 0.5148 154.8265 0.5172 156.0025 0.6394 157.4694 0.3614 158.2910 0.3270 161.2065 0.5170 163.1332 0.4570 168.0465 0.5443 170.4500 0.3275 171.7936 0.3850 174.9224 0.3434 177.9961 0.4383 179.8741 0.6007 182.5420 0.3976 183.7331 0.5324 185.5530 0.5503 186.8196 0.6626 189.7318 0.5466 192.5386 0.4911 193.1501 0.5553 195.5164 0.5099 198.5088 0.2966 199.7523 0.5198 203.2342 0.5395 206.4004 0.6128 208.2771 0.3880 208.7295 0.4397 211.4515 0.6036 212.0640 0.5020 213.0902 0.4539 215.9483 0.4947 216.4937 0.5594 220.0053 0.4919 225.1702 0.4626 226.4495 0.4895 228.8579 0.5067 230.5007 0.5871 232.2334 0.5061 234.2303 0.4266 234.5825 0.4682 236.8335 0.5323 239.1867 0.4830 242.7830 0.5296 244.9587 0.5890 247.0198 0.5670 247.6872 0.5333 251.4198 0.6234 253.8004 0.3898 256.5957 0.5722 258.8603 0.4510 259.2927 0.3033 260.0646 0.5372 262.9503 0.3237 265.2273 0.4873 266.8892 0.3796 getting mode 7 running: ../../bin/get_modes.sh 2604281213322860870 7 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2604281213322860870 8 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2604281213322860870 9 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2604281213322860870 10 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2604281213322860870 11 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2604281213322860870 12 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2604281213322860870 13 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2604281213322860870 14 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2604281213322860870 15 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2604281213322860870 16 -20 20 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-20 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=0 2604281213322860870.eigenfacs 2604281213322860870.atom calculating perturbed structure for DQ=20 2604281213322860870.eigenfacs 2604281213322860870.atom making animated gifs 3 models are in 2604281213322860870.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 3 models are in 2604281213322860870.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2604281213322860870.10.pdb 2604281213322860870.11.pdb 2604281213322860870.12.pdb 2604281213322860870.13.pdb 2604281213322860870.14.pdb 2604281213322860870.15.pdb 2604281213322860870.16.pdb 2604281213322860870.7.pdb 2604281213322860870.8.pdb 2604281213322860870.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m1.278s user 0m1.264s sys 0m0.014s rm: cannot remove '2604281213322860870.sdijf': No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.