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***  noca_3  ***

LOGs for ID: 2101081000052531

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 = 2101081000052531.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 2101081000052531.atom to be opened. Openam> File opened: 2101081000052531.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 = 186 First residue number = 2 Last residue number = 94 Number of atoms found = 186 Mean number per residue = 1.0 Pdbmat> Coordinate statistics: = 34.085699 +/- 8.960141 From: 13.070000 To: 51.910000 = 196.122258 +/- 9.347197 From: 174.290000 To: 213.020000 = -116.399892 +/- 9.540764 From: -136.010000 To: -95.090000 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 5.5886 % Filled. Pdbmat> 8716 non-zero elements. Pdbmat> 845 atom-atom interactions. Pdbmat> Number per atom= 9.09 +/- 2.45 Maximum number = 17 Minimum number = 3 Pdbmat> Matrix trace = 16900.0 Pdbmat> Larger element = 79.4435 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 186 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 = 2101081000052531.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 2101081000052531.atom to be opened. Openam> file on opening on unit 11: 2101081000052531.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 186 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> 186 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 2 %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 3 %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 5 %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 6 %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 8 %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 9 %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 11 %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 12 %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 14 %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 15 %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 17 %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 18 %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 20 %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 21 %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 23 %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 24 %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 26 %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 27 %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 29 %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 30 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 10 Block first atom: 28 %Blocpdb-Wn> 1 atoms in block 11 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 31th, in residue 32 %Blocpdb-Wn> It will be merged with next block. %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 33 %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 35 %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 36 %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 38 %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 39 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 13 Block first atom: 37 %Blocpdb-Wn> 1 atoms in block 14 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 40th, in residue 41 %Blocpdb-Wn> It will be merged with next block. %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 42 %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 44 %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 45 %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 47 %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 48 %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 50 %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 51 %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 53 %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 54 %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 56 %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 57 %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 59 %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 60 %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 62 %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 63 %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 65 %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 66 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 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 67th, in residue 68 %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 68th, in residue 69 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 23 Block first atom: 67 %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 70th, in residue 71 %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 71th, in residue 72 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 24 Block first atom: 70 %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 73th, in residue 74 %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 74th, in residue 75 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 25 Block first atom: 73 %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 76th, in residue 77 %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 77th, in residue 78 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 26 Block first atom: 76 %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 79th, in residue 80 %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 80th, in residue 81 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 27 Block first atom: 79 %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 82th, in residue 83 %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 83th, in residue 84 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 28 Block first atom: 82 %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 85th, in residue 86 %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 86th, in residue 87 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 29 Block first atom: 85 %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 88th, in residue 89 %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 89th, in residue 90 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 30 Block first atom: 88 %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 91th, in residue 92 %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 92th, in residue 93 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 31 Block first atom: 91 %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 94th, in residue 2 %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 95th, in residue 3 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 32 Block first atom: 94 %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 97th, in residue 5 %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 98th, in residue 6 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 33 Block first atom: 97 %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 100th, in residue 8 %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 101th, in residue 9 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 34 Block first atom: 100 %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 103th, in residue 11 %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 104th, in residue 12 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 35 Block first atom: 103 %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 106th, in residue 14 %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 107th, in residue 15 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 36 Block first atom: 106 %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 109th, in residue 17 %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 110th, in residue 18 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 37 Block first atom: 109 %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 112th, in residue 20 %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 113th, in residue 21 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 38 Block first atom: 112 %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 115th, in residue 23 %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 116th, in residue 24 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 39 Block first atom: 115 %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 118th, in residue 26 %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 119th, in residue 27 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 40 Block first atom: 118 %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 121th, in residue 29 %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 122th, in residue 30 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 41 Block first atom: 121 %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 124th, in residue 32 %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 125th, in residue 33 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 42 Block first atom: 124 %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 127th, in residue 35 %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 128th, in residue 36 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 43 Block first atom: 127 %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 130th, in residue 38 %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 131th, in residue 39 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 44 Block first atom: 130 %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 133th, in residue 41 %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 134th, in residue 42 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 45 Block first atom: 133 %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 136th, in residue 44 %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 137th, in residue 45 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 46 Block first atom: 136 %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 139th, in residue 47 %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 140th, in residue 48 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 47 Block first atom: 139 %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 142th, in residue 50 %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 143th, in residue 51 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 48 Block first atom: 142 %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 145th, in residue 53 %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 146th, in residue 54 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 49 Block first atom: 145 %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 148th, in residue 56 %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 149th, in residue 57 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 50 Block first atom: 148 %Blocpdb-Wn> 1 atoms in block 51 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 151th, in residue 59 %Blocpdb-Wn> It will be merged with next block. %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 152th, in residue 60 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 51 Block first atom: 151 %Blocpdb-Wn> 1 atoms in block 52 i.e., less than what is required for a rigid body. %Blocpdb-Wn> Last atom in this block is the 154th, in residue 62 %Blocpdb-Wn> It will be merged with next block. %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 155th, in residue 63 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 52 Block first atom: 154 %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 157th, in residue 65 %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 158th, in residue 66 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 53 Block first atom: 157 %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 160th, in residue 68 %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 161th, in residue 69 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 54 Block first atom: 160 %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 163th, in residue 71 %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 164th, in residue 72 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 55 Block first atom: 163 %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 166th, in residue 74 %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 167th, in residue 75 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 56 Block first atom: 166 %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 169th, in residue 77 %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 170th, in residue 78 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 57 Block first atom: 169 %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 172th, in residue 80 %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 173th, in residue 81 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 58 Block first atom: 172 %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 175th, in residue 83 %Blocpdb-Wn> It will be merged with next block. %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 176th, in residue 84 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 59 Block first atom: 175 %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 178th, in residue 86 %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 179th, in residue 87 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 60 Block first atom: 178 %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 181th, in residue 89 %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 182th, in residue 90 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 61 Block first atom: 181 %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 184th, in residue 92 %Blocpdb-Wn> It will be merged with next block. Blocpdb> 3 atoms in block 62 Block first atom: 183 Blocpdb> 62 blocks. Blocpdb> At most, 3 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> 8778 matrix lines read. Prepmat> Matrix order = 558 Prepmat> Matrix trace = 16900.0000 Prepmat> Last element read: 558 558 21.6324 Prepmat> 1954 lines saved. Prepmat> 1694 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: 186 RTB> Total mass = 186.0000 RTB> Number of atoms found in matrix: 186 RTB> Number of blocks = 62 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 9515.3612 RTB> 8394 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: 8394 Diagstd> Projected matrix trace = 9515.3612 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 = 9515.3612 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 0.0969265 0.1459089 0.1585834 0.2191059 0.2621487 0.2937556 0.3679858 0.3829872 0.4091224 0.4785188 0.5179684 0.5683350 0.5917592 0.6391737 0.7507618 0.8163641 0.8414869 0.9011637 0.9457652 1.0147696 1.0568661 1.1530904 1.2199877 1.2459698 1.2924927 1.4312822 1.5336021 1.6017841 1.6113569 1.6421132 1.7465603 1.8304472 1.9227397 1.9688016 2.1128893 2.1601804 2.2344903 2.2874375 2.3337606 2.4383830 2.4992236 2.6661321 2.7151953 2.8929312 2.9311039 3.0090379 3.1202940 3.1790043 3.2413162 3.3894483 3.4354746 3.5421930 3.6287438 3.8383073 3.8711630 4.0498971 4.1261800 4.2702335 4.3613068 4.3984615 4.4558844 4.7358909 4.7970464 4.8554513 5.0699201 5.1505547 5.2085315 5.3041853 5.3824956 5.4991994 5.6920709 5.8022326 5.8838424 5.9518383 6.0823656 6.3426173 6.4838396 6.4998687 6.6463372 6.7651200 7.1970912 7.2247799 7.3535609 7.5145200 7.5882703 7.7890280 7.8702734 7.9606971 7.9688777 8.2022181 8.3479431 8.3891714 8.5806178 8.7046422 8.8236889 8.8869796 8.9351279 8.9662397 9.1350852 9.2667982 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034333 0.0034339 0.0034339 0.0034340 0.0034340 0.0034340 33.8077774 41.4797562 43.2438270 50.8302617 55.5992786 58.8556767 65.8735106 67.2028075 69.4579452 75.1181292 78.1532231 81.8648511 83.5348665 86.8169937 94.0906295 98.1154101 99.6136745 103.0853932 105.6055972 109.3903481 111.6362540 116.6076257 119.9424763 121.2129561 123.4551858 129.9145845 134.4781179 137.4349749 137.8450407 139.1543605 143.5116214 146.9176206 150.5759204 152.3688741 157.8460254 159.6027192 162.3246653 164.2365821 165.8912306 169.5689135 171.6713546 177.3111762 178.9352144 184.6989090 185.9134841 188.3688592 191.8196255 193.6158195 195.5041489 199.9216320 201.2744522 204.3767052 206.8585304 212.7478351 213.6564499 218.5331249 220.5816419 224.3990901 226.7793988 227.7433352 229.2251360 236.3176319 237.8385446 239.2820282 244.5095553 246.4462878 247.8294593 250.0947778 251.9341966 254.6507823 259.0779365 261.5729606 263.4060799 264.9237194 267.8129305 273.4824966 276.5103622 276.8519414 279.9538638 282.4444419 291.3223352 291.8821867 294.4720814 297.6774263 299.1346178 303.0657874 304.6422885 306.3873506 306.5447348 311.0003918 313.7509282 314.5247409 318.0933272 320.3839434 322.5673254 323.7221174 324.5978710 325.1624992 328.2098286 330.5674843 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 186 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: 9.9961E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9997E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9999E-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: 9.6927E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 0.1459 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.1586 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.2191 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.2621 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.2938 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.3680 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.3830 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.4091 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.4785 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.5180 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.5683 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.5918 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.6392 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.7508 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.8164 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.8415 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.9012 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.9458 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 1.015 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 1.057 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 1.153 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 1.220 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 1.246 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 1.292 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 1.431 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 1.534 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 1.602 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 1.611 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 1.642 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 1.747 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 1.830 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 1.923 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 1.969 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 2.113 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 2.160 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 2.234 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 2.287 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 2.334 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 2.438 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 2.499 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 2.666 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 2.715 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 2.893 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 2.931 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 3.009 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 3.120 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 3.179 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 3.241 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 3.389 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 3.435 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 3.542 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 3.629 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 3.838 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 3.871 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 4.050 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 4.126 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 4.270 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 4.361 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 4.398 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 4.456 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 4.736 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 4.797 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 4.855 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 5.070 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 5.151 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 5.209 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 5.304 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 5.382 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 5.499 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 5.692 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 5.802 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 5.884 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 5.952 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 6.082 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 6.343 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 6.484 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 6.500 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 6.646 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 6.765 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 7.197 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 7.225 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 7.354 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 7.515 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 7.588 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 7.789 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 7.870 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 7.961 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 7.969 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 8.202 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 8.348 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 8.389 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 8.581 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 8.705 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 8.824 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 8.887 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 8.935 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 8.966 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 9.135 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 9.267 Rtb_to_modes> 106 vectors, with 372 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00004 1.00000 1.00004 0.99997 0.99999 1.00000 0.99998 0.99999 1.00000 1.00000 0.99998 1.00001 0.99996 0.99995 0.99999 0.99997 1.00002 0.99999 1.00001 0.99999 1.00001 1.00001 1.00001 1.00002 1.00002 1.00001 0.99998 1.00001 0.99999 0.99999 1.00002 1.00001 1.00001 1.00001 1.00000 1.00000 1.00003 0.99995 0.99999 1.00004 1.00004 1.00000 0.99999 1.00002 0.99997 0.99999 1.00000 0.99999 1.00002 0.99996 1.00004 1.00001 1.00000 1.00000 1.00002 1.00001 1.00000 1.00001 1.00000 1.00002 0.99999 0.99997 1.00000 1.00000 0.99998 1.00001 1.00001 0.99999 1.00003 1.00000 1.00000 1.00000 0.99995 0.99995 1.00001 1.00001 1.00000 0.99998 0.99998 1.00002 0.99995 1.00005 1.00000 1.00002 0.99997 0.99999 1.00000 1.00002 1.00000 1.00000 0.99999 1.00005 1.00003 0.99999 1.00002 0.99999 0.99993 1.00002 0.99997 0.99997 1.00001 0.99999 1.00000 1.00005 1.00001 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 3348 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00004 1.00000 1.00004 0.99997 0.99999 1.00000 0.99998 0.99999 1.00000 1.00000 0.99998 1.00001 0.99996 0.99995 0.99999 0.99997 1.00002 0.99999 1.00001 0.99999 1.00001 1.00001 1.00001 1.00002 1.00002 1.00001 0.99998 1.00001 0.99999 0.99999 1.00002 1.00001 1.00001 1.00001 1.00000 1.00000 1.00003 0.99995 0.99999 1.00004 1.00004 1.00000 0.99999 1.00002 0.99997 0.99999 1.00000 0.99999 1.00002 0.99996 1.00004 1.00001 1.00000 1.00000 1.00002 1.00001 1.00000 1.00001 1.00000 1.00002 0.99999 0.99997 1.00000 1.00000 0.99998 1.00001 1.00001 0.99999 1.00003 1.00000 1.00000 1.00000 0.99995 0.99995 1.00001 1.00001 1.00000 0.99998 0.99998 1.00002 0.99995 1.00005 1.00000 1.00002 0.99997 0.99999 1.00000 1.00002 1.00000 1.00000 0.99999 1.00005 1.00003 0.99999 1.00002 0.99999 0.99993 1.00002 0.99997 0.99997 1.00001 0.99999 1.00000 1.00005 1.00001 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> 2101081000052531.eigenfacs Openam> file on opening on unit 10: 2101081000052531.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2101081000052531.atom Openam> file on opening on unit 11: 2101081000052531.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 = 186 First residue number = 2 Last residue number = 94 Number of atoms found = 186 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: 9.9961E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-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: 9.6927E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1459 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1586 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2191 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2621 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2938 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3680 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3830 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4091 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4785 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5180 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5683 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5918 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6392 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7508 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8164 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8415 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9012 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9458 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 1.015 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 1.057 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 1.153 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 1.220 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 1.246 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 1.292 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 1.431 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 1.534 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 1.602 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.611 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 1.642 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 1.747 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 1.830 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 1.923 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 1.969 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 2.113 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 2.160 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 2.234 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 2.287 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 2.334 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 2.438 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 2.499 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 2.666 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 2.715 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 2.893 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 2.931 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 3.009 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 3.120 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 3.179 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 3.241 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 3.389 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 3.435 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 3.542 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 3.629 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 3.838 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 3.871 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 4.050 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 4.126 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 4.270 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 4.361 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 4.398 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 4.456 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 4.736 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 4.797 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 4.855 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 5.070 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 5.151 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 5.209 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 5.304 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 5.382 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 5.499 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 5.692 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 5.802 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 5.884 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 5.952 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 6.082 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 6.343 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 6.484 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 6.500 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 6.646 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 6.765 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 7.197 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 7.225 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 7.354 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 7.515 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 7.588 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 7.789 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 7.870 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 7.961 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 7.969 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 8.202 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 8.348 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 8.389 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 8.581 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 8.705 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 8.824 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 8.887 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 8.935 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 8.966 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 9.135 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 9.267 Bfactors> 106 vectors, 558 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 : 0.096927 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-Wn> Experimental B-factors are nearly constant ! Bfactors> = 6.944 +/- 6.24 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -6.944 Bfactors> Scaling-fct= 0.000 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2101081000052531.eigenfacs Openam> file on opening on unit 10: 2101081000052531.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: 3.4338E-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: 33.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 41.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 43.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 50.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 55.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 58.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 65.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 67.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 69.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 75.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 78.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 81.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 83.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 86.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 94.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 98.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 99.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 103.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 105.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 109.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 111.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 116.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 119.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 121.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 123.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 129.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 134.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 137.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 137.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 139.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 143.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 146.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 150.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 152.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 157.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 159.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 162.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 164.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 165.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 169.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 171.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 177.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 178.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 184.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 185.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 188.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 191.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 193.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 195.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 199.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 201.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 204.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 206.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 212.7 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: 218.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 220.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 224.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 226.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 227.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 229.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 236.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 237.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 239.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 244.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 246.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 247.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 250.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 251.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 254.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 259.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 261.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 263.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 264.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 267.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 273.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 276.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 276.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 279.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 282.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 291.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 291.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 294.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 297.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 299.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 303.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 304.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 306.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 306.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 311.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 313.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 314.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 318.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 320.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 322.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 323.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 324.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 325.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 328.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 330.6 Chkmod> 106 vectors, 558 coordinates in file. Chkmod> That is: 186 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 38 is: 0.9998 (instead of 1.0000). %Chkmod-Wn> Norm of vector 81 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 93 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 97 is: 0.9998 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7514 0.0034 0.9956 0.0034 0.8344 0.0034 0.7275 0.0034 0.9900 0.0034 0.7243 33.8064 0.5457 41.4767 0.1592 43.2442 0.4758 50.8274 0.3026 55.5917 0.4740 58.8576 0.5620 65.8720 0.3613 67.2010 0.4864 69.4531 0.6293 75.1134 0.4502 78.1523 0.2925 81.8588 0.5844 83.5342 0.4862 86.8151 0.4670 94.0890 0.5370 98.1134 0.5704 99.6102 0.6965 103.0830 0.6660 105.6030 0.6053 109.3981 0.4868 111.6385 0.6244 116.5981 0.5961 119.9379 0.5968 121.2092 0.6549 123.4264 0.5418 129.8962 0.3829 134.4898 0.5723 137.4383 0.4570 137.8239 0.6022 139.1436 0.6260 143.5235 0.5471 146.8934 0.4032 150.5796 0.4531 152.3700 0.2790 157.8434 0.4139 159.5892 0.5511 162.2999 0.4410 164.2138 0.6207 165.8926 0.6180 169.5483 0.5375 171.6563 0.4481 177.2992 0.5556 178.9211 0.5542 184.6932 0.6461 185.9022 0.4732 188.3596 0.4649 191.8024 0.6608 193.6074 0.6744 195.4862 0.5310 199.8998 0.5349 201.2519 0.6067 204.3624 0.5623 206.8570 0.4539 212.7302 0.5178 213.6428 0.5660 218.5265 0.4206 220.5674 0.5838 224.3833 0.5342 226.7617 0.5432 227.7216 0.4653 229.2183 0.5858 236.3102 0.6507 237.8272 0.2263 239.2606 0.5746 244.5010 0.5485 246.4464 0.6725 247.8300 0.6383 250.0797 0.5400 251.9118 0.4926 254.6352 0.4214 259.0652 0.5035 261.5565 0.4583 263.3983 0.4913 264.9159 0.4016 267.7934 0.5134 273.4790 0.3256 276.5019 0.4031 276.8429 0.5718 279.9347 0.5581 282.4298 0.4232 291.3080 0.5790 291.8741 0.5650 294.4682 0.4833 297.6742 0.6114 299.1164 0.5129 303.0522 0.3113 304.6239 0.6126 306.3800 0.4962 306.5339 0.4074 310.9829 0.5077 313.7385 0.5968 314.5080 0.5196 318.0868 0.5867 320.3768 0.5197 322.5592 0.6203 323.7086 0.6011 324.5816 0.5700 325.1442 0.3037 328.1942 0.4082 330.5569 0.4826 getting mode 7 running: ../../bin/get_modes.sh 2101081000052531 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=0 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=100 2101081000052531.eigenfacs 2101081000052531.atom making animated gifs 11 models are in 2101081000052531.7.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 2101081000052531.7.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 2101081000052531.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2101081000052531 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=0 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=100 2101081000052531.eigenfacs 2101081000052531.atom making animated gifs 11 models are in 2101081000052531.8.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 2101081000052531.8.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 2101081000052531.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2101081000052531 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=0 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=100 2101081000052531.eigenfacs 2101081000052531.atom making animated gifs 11 models are in 2101081000052531.9.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 2101081000052531.9.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 2101081000052531.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2101081000052531 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=0 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=100 2101081000052531.eigenfacs 2101081000052531.atom making animated gifs 11 models are in 2101081000052531.10.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 2101081000052531.10.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 2101081000052531.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2101081000052531 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=-20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=0 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=20 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=40 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=60 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=80 2101081000052531.eigenfacs 2101081000052531.atom calculating perturbed structure for DQ=100 2101081000052531.eigenfacs 2101081000052531.atom making animated gifs 11 models are in 2101081000052531.11.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 2101081000052531.11.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 2101081000052531.11.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 2101081000052531.10.pdb 2101081000052531.11.pdb 2101081000052531.7.pdb 2101081000052531.8.pdb 2101081000052531.9.pdb STDERR: real 0m0.767s user 0m0.756s sys 0m0.008s pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file pstopnm: Writing ppmraw file




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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).
Last modification: October 18th, 2018.