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***  noca_1  ***

LOGs for ID: 2101080958571613

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 = 2101080958571613.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 2101080958571613.atom to be opened. Openam> File opened: 2101080958571613.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: = -27.068817 +/- 10.709710 From: -51.460000 To: -4.520000 = -30.301344 +/- 9.651985 From: -48.880000 To: -9.240000 = 176.405538 +/- 7.384003 From: 158.810000 To: 195.600000 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 5.6662 % Filled. Pdbmat> 8837 non-zero elements. Pdbmat> 859 atom-atom interactions. Pdbmat> Number per atom= 9.24 +/- 2.48 Maximum number = 15 Minimum number = 2 Pdbmat> Matrix trace = 17180.0 Pdbmat> Larger element = 72.4440 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 = 2101080958571613.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 2101080958571613.atom to be opened. Openam> file on opening on unit 11: 2101080958571613.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> 8899 matrix lines read. Prepmat> Matrix order = 558 Prepmat> Matrix trace = 17180.0000 Prepmat> Last element read: 558 558 11.3900 Prepmat> 1954 lines saved. Prepmat> 1687 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 = 9710.5844 RTB> 8646 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: 8646 Diagstd> Projected matrix trace = 9710.5844 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 = 9710.5844 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 7 zero-eigenvalues, that is, below or equal to: 0.0000000 %Diagstd-Wn> Six expected. Parts of the structure interact too little ? Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0749032 0.1220970 0.1411668 0.1721358 0.1808140 0.1985430 0.2671319 0.3175346 0.3547601 0.3718192 0.4335835 0.4361970 0.5343788 0.5868295 0.6257860 0.6532178 0.6654446 0.7128447 0.7755754 0.8716651 0.9236855 0.9708717 1.0376000 1.0806490 1.1736563 1.2107652 1.2838188 1.3878292 1.4220109 1.4828580 1.5284485 1.6658304 1.7424878 1.8075761 1.8645514 1.9335922 2.0402926 2.1889631 2.2245852 2.3463034 2.4196387 2.4625118 2.5392759 2.5810953 2.6964395 2.7650920 2.9158596 3.0176863 3.1133043 3.2499436 3.3886546 3.5106269 3.6189164 3.6451148 3.8011325 4.0084227 4.1438799 4.2747137 4.5124454 4.5926795 4.6308610 4.8463480 4.9342729 4.9906740 5.1700052 5.2486184 5.3389925 5.4433925 5.6006241 5.6204871 5.7408057 5.9235982 6.0446013 6.3155491 6.4040249 6.5014925 6.5997989 6.6612580 6.8917837 6.9421467 6.9718963 7.2986265 7.4429532 7.5883481 7.7158947 7.8908110 8.1098415 8.1799804 8.3566578 8.4217058 8.5143958 8.6820211 8.8257280 8.8642594 9.0181815 9.3148829 9.3490959 9.6209327 9.7079627 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 0.0034340 29.7197776 37.9444006 40.8001258 45.0537486 46.1754743 48.3863234 56.1252358 61.1914585 64.6789101 66.2157310 71.5042203 71.7193943 79.3816109 83.1861925 85.9029748 87.7655891 88.5831747 91.6838283 95.6328932 101.3841605 104.3655904 106.9981329 110.6140406 112.8853552 117.6429085 119.4882608 123.0402349 127.9273187 129.4931364 132.2345848 134.2519774 140.1556695 143.3442083 145.9968810 148.2799586 151.0002690 155.1106092 160.6624943 161.9644882 166.3364247 168.9159054 170.4058273 173.0414830 174.4605751 178.3161246 180.5718605 185.4293974 188.6393636 191.6046609 195.7641624 199.8982239 203.4640182 206.5782303 207.3246247 211.7150750 217.4112609 221.0542453 224.5167747 230.6753872 232.7171298 233.6824795 239.0576116 241.2164183 242.5911093 246.9111890 248.7813263 250.9140239 253.3553661 256.9883826 257.4436943 260.1846700 264.2944708 266.9802345 272.8983048 274.8032011 276.8865207 278.9720099 280.2679305 285.0762914 286.1160200 286.7284180 293.3700998 296.2565249 299.1361515 301.6396491 305.0395147 309.2441296 310.5785169 313.9146540 315.1340366 316.8634865 319.9673748 322.6045964 323.3080432 326.1029790 331.4240186 332.0321116 336.8246519 338.3446629 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: 9.9963E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9991E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9997E-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: 1.0000E-09 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 7.4903E-02 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.1221 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.1412 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.1721 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.1808 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.1985 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.2671 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.3175 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.3548 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.3718 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.4336 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.4362 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.5344 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.5868 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.6258 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.6532 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.6654 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.7128 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 0.7756 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 0.8717 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 0.9237 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 0.9709 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 1.038 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 1.081 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 1.174 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 1.211 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 1.284 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 1.388 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 1.422 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 1.483 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 1.528 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 1.666 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 1.742 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 1.808 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 1.865 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 1.934 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 2.040 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 2.189 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 2.225 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 2.346 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 2.420 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 2.463 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 2.539 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 2.581 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 2.696 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 2.765 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 2.916 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 3.018 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 3.113 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 3.250 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 3.389 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 3.511 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 3.619 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 3.645 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 3.801 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 4.008 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 4.144 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 4.275 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 4.512 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 4.593 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 4.631 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 4.846 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 4.934 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 4.991 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 5.170 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 5.249 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 5.339 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 5.443 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 5.601 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 5.620 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 5.741 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 5.924 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 6.045 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 6.316 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 6.404 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 6.501 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 6.600 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 6.661 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 6.892 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 6.942 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 6.972 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 7.299 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 7.443 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 7.588 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 7.716 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 7.891 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 8.110 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 8.180 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 8.357 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 8.422 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 8.514 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 8.682 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 8.826 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 8.864 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 9.018 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 9.315 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 9.349 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 9.621 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 9.708 Rtb_to_modes> 106 vectors, with 372 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00005 1.00000 1.00001 0.99999 0.99998 1.00001 1.00001 1.00005 0.99998 1.00000 0.99999 1.00000 0.99999 1.00004 0.99998 1.00001 0.99999 1.00000 0.99999 1.00000 0.99998 0.99998 1.00003 1.00002 1.00001 0.99999 0.99998 1.00000 1.00002 1.00003 0.99998 1.00002 0.99999 1.00001 1.00000 1.00000 1.00001 1.00001 1.00001 1.00001 1.00000 0.99997 0.99995 1.00003 1.00000 0.99998 1.00000 1.00002 0.99999 0.99998 1.00003 1.00003 0.99998 1.00002 0.99999 0.99996 1.00003 0.99997 1.00000 1.00000 0.99999 1.00001 1.00002 0.99997 0.99997 1.00004 1.00001 0.99998 1.00003 0.99999 1.00002 1.00002 1.00002 1.00000 1.00000 0.99997 1.00000 0.99999 0.99996 1.00000 0.99998 0.99998 1.00001 1.00004 0.99998 0.99998 0.99999 1.00004 0.99998 1.00000 0.99998 0.99997 1.00002 1.00003 0.99999 0.99997 1.00000 1.00003 1.00000 1.00003 1.00000 0.99998 0.99998 0.99999 1.00000 1.00002 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): 1.00005 1.00000 1.00001 0.99999 0.99998 1.00001 1.00001 1.00005 0.99998 1.00000 0.99999 1.00000 0.99999 1.00004 0.99998 1.00001 0.99999 1.00000 0.99999 1.00000 0.99998 0.99998 1.00003 1.00002 1.00001 0.99999 0.99998 1.00000 1.00002 1.00003 0.99998 1.00002 0.99999 1.00001 1.00000 1.00000 1.00001 1.00001 1.00001 1.00001 1.00000 0.99997 0.99995 1.00003 1.00000 0.99998 1.00000 1.00002 0.99999 0.99998 1.00003 1.00003 0.99998 1.00002 0.99999 0.99996 1.00003 0.99997 1.00000 1.00000 0.99999 1.00001 1.00002 0.99997 0.99997 1.00004 1.00001 0.99998 1.00003 0.99999 1.00002 1.00002 1.00002 1.00000 1.00000 0.99997 1.00000 0.99999 0.99996 1.00000 0.99998 0.99998 1.00001 1.00004 0.99998 0.99998 0.99999 1.00004 0.99998 1.00000 0.99998 0.99997 1.00002 1.00003 0.99999 0.99997 1.00000 1.00003 1.00000 1.00003 1.00000 0.99998 0.99998 0.99999 1.00000 1.00002 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3:-0.000-0.000 Vector 4:-0.000 0.000-0.000 Vector 5:-0.000-0.000-0.000-0.000 Vector 6: 0.000-0.000-0.000 0.000-0.000 Vector 7: 0.000-0.000 0.000 0.000 0.000-0.000 Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000 0.000 Vector 9:-0.000 0.000 0.000-0.000-0.000 0.000-0.000-0.000 Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000-0.000-0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2101080958571613.eigenfacs Openam> file on opening on unit 10: 2101080958571613.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2101080958571613.atom Openam> file on opening on unit 11: 2101080958571613.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: 9.9963E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-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: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 7.4903E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1221 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1412 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1721 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1808 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1985 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2671 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3175 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3548 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3718 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4336 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4362 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5344 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5868 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6258 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6532 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6654 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7128 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7756 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8717 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9237 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9709 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 1.038 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 1.081 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 1.174 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 1.211 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 1.284 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.388 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 1.422 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 1.483 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 1.528 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 1.666 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 1.742 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 1.808 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 1.865 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 1.934 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 2.040 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 2.189 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 2.225 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 2.346 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 2.420 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 2.463 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 2.539 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 2.581 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 2.696 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 2.765 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 2.916 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 3.018 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 3.113 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 3.250 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 3.389 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 3.511 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 3.619 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 3.645 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 3.801 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 4.008 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 4.144 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 4.275 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 4.512 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 4.593 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 4.631 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 4.846 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 4.934 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 4.991 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 5.170 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 5.249 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 5.339 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 5.443 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 5.601 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 5.620 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 5.741 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 5.924 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 6.045 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 6.316 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 6.404 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 6.501 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 6.600 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 6.661 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 6.892 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 6.942 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 6.972 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 7.299 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 7.443 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: 7.716 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 7.891 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 8.110 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 8.180 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 8.357 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 8.422 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 8.514 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 8.682 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 8.826 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 8.864 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 9.018 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 9.315 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 9.349 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 9.621 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 9.708 Bfactors> 106 vectors, 558 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 7 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.074903 Bfactors> 99 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> = 8.335 +/- 12.50 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -8.335 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> 2101080958571613.eigenfacs Openam> file on opening on unit 10: 2101080958571613.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 29.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 37.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 40.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 45.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 46.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 48.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 56.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 61.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 64.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 66.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 71.50 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 71.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 79.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 83.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 85.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 87.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 88.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 91.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 95.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 101.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 104.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 107.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 110.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 112.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 117.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 119.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 123.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 127.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 129.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 132.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 134.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 140.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 143.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 146.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 148.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 151.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 155.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 160.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 162.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 166.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 168.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 170.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 173.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 174.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 178.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 180.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 185.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 188.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 191.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 195.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 199.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 203.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 206.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 207.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 211.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 217.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 221.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 224.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 230.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 232.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 233.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 239.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 241.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 242.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 246.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 248.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 250.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 253.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 257.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 257.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 260.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 264.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 267.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 272.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 274.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 276.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 279.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 280.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 285.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 286.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 286.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 293.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 296.2 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: 301.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 305.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 309.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 310.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 313.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 315.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 316.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 320.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 322.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 323.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 326.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 331.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 332.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 336.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 338.3 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 1 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 8 is: 1.0002 (instead of 1.0000). %Chkmod-Wn> Norm of vector 29 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 66 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 83 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.0063 0.0034 0.7771 0.0034 0.9320 0.0034 0.8946 0.0034 0.6925 0.0034 0.7338 0.0034 0.7590 29.7185 0.2218 37.9432 0.0699 40.8032 0.0595 45.0471 0.3062 46.1717 0.6404 48.3790 0.5197 56.1195 0.2950 61.1855 0.2688 64.6798 0.3127 66.2112 0.3155 71.5025 0.3125 71.7166 0.3468 79.3798 0.1506 83.1805 0.3577 85.9002 0.6034 87.7606 0.4579 88.5764 0.6540 91.6770 0.4235 95.6303 0.7301 101.3818 0.5017 104.3619 0.4574 106.9951 0.2655 110.6306 0.6202 112.8988 0.4477 117.6551 0.4474 119.4947 0.5843 123.0436 0.4596 127.9297 0.3650 129.4871 0.6141 132.2352 0.6155 134.2265 0.6098 140.1568 0.5157 143.3180 0.5801 146.0077 0.5447 148.2914 0.5846 151.0097 0.3570 155.0928 0.5178 160.6569 0.4473 161.9726 0.4011 166.3185 0.5924 168.9213 0.6003 170.4154 0.5229 173.0247 0.1469 174.4499 0.2926 178.2939 0.6225 180.5611 0.5361 185.4259 0.5536 188.6411 0.5405 191.5871 0.5818 195.7575 0.6774 199.8998 0.5700 203.4661 0.6116 206.5717 0.4959 207.3125 0.4789 211.7023 0.4038 217.3905 0.5975 221.0480 0.5358 224.5147 0.5619 230.6541 0.5103 232.7153 0.5067 233.6760 0.5971 239.0388 0.4834 241.1994 0.4102 242.5886 0.5254 246.9005 0.2726 248.7797 0.5549 250.9034 0.4522 253.3354 0.4347 256.9860 0.5794 257.4215 0.3928 260.1779 0.5484 264.2921 0.6794 266.9776 0.5757 272.8963 0.6393 274.7909 0.6636 276.8641 0.5747 278.9643 0.4456 280.2505 0.5388 285.0685 0.4559 286.1007 0.5418 286.7182 0.5705 293.3650 0.6173 296.2447 0.3810 299.1164 0.3086 301.6288 0.4829 305.0301 0.5519 309.2339 0.6370 310.5656 0.3176 313.9076 0.5113 315.1260 0.5384 316.8425 0.5415 319.9533 0.4309 322.5957 0.3427 323.2894 0.6598 326.0857 0.5607 331.4119 0.5543 332.0162 0.5359 336.8114 0.6370 338.3308 0.4868 getting mode 7 running: ../../bin/get_modes.sh 2101080958571613 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=0 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=100 2101080958571613.eigenfacs 2101080958571613.atom making animated gifs 11 models are in 2101080958571613.7.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 2101080958571613.7.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 2101080958571613.7.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 2101080958571613 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=0 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=100 2101080958571613.eigenfacs 2101080958571613.atom making animated gifs 11 models are in 2101080958571613.8.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 2101080958571613.8.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 2101080958571613.8.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 2101080958571613 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=0 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=100 2101080958571613.eigenfacs 2101080958571613.atom making animated gifs 11 models are in 2101080958571613.9.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 2101080958571613.9.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 2101080958571613.9.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 2101080958571613 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=0 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=100 2101080958571613.eigenfacs 2101080958571613.atom making animated gifs 11 models are in 2101080958571613.10.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 2101080958571613.10.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 2101080958571613.10.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 2101080958571613 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=-20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=0 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=20 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=40 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=60 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=80 2101080958571613.eigenfacs 2101080958571613.atom calculating perturbed structure for DQ=100 2101080958571613.eigenfacs 2101080958571613.atom making animated gifs 11 models are in 2101080958571613.11.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 2101080958571613.11.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 2101080958571613.11.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 2101080958571613.10.pdb 2101080958571613.11.pdb 2101080958571613.7.pdb 2101080958571613.8.pdb 2101080958571613.9.pdb STDERR: real 0m0.699s user 0m0.696s sys 0m0.000s 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.