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***  withca_3_2  ***

LOGs for ID: 21010810021510939

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 = 21010810021510939.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 21010810021510939.atom to be opened. Openam> File opened: 21010810021510939.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: = 219.474570 +/- 12.625696 From: 195.040000 To: 242.870000 = 268.349194 +/- 8.340062 From: 251.530000 To: 289.320000 = 110.563710 +/- 7.367828 From: 96.520000 To: 129.210000 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 5.5366 % Filled. Pdbmat> 8635 non-zero elements. Pdbmat> 836 atom-atom interactions. Pdbmat> Number per atom= 8.99 +/- 2.50 Maximum number = 15 Minimum number = 2 Pdbmat> Matrix trace = 16720.0 Pdbmat> Larger element = 60.9337 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 = 21010810021510939.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 21010810021510939.atom to be opened. Openam> file on opening on unit 11: 21010810021510939.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> 8697 matrix lines read. Prepmat> Matrix order = 558 Prepmat> Matrix trace = 16720.0000 Prepmat> Last element read: 558 558 2.9402 Prepmat> 1954 lines saved. Prepmat> 1698 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 = 9486.4350 RTB> 8239 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: 8239 Diagstd> Projected matrix trace = 9486.4350 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 = 9486.4350 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 9 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 0.0000000 0.0000000 0.0814327 0.1305304 0.1537061 0.1764791 0.1803199 0.2022706 0.2223193 0.2347752 0.3401858 0.3938853 0.4207030 0.5292379 0.6009386 0.6046203 0.6351080 0.7435605 0.7491017 0.7722051 0.8223934 0.8923575 0.9202285 1.0212724 1.0431595 1.0924071 1.1912792 1.2649493 1.2801515 1.3515875 1.4518307 1.4816979 1.6291881 1.6733547 1.7732540 1.7957052 1.8796506 1.9406571 2.0093261 2.1091209 2.1792789 2.2971156 2.3325968 2.4692402 2.5687075 2.6115445 2.6678337 2.7273619 2.8238786 2.9355078 2.9928982 3.1129994 3.1884550 3.3503807 3.5705720 3.6263193 3.7563668 3.8591132 3.9324303 4.0088533 4.1348455 4.2368313 4.4759467 4.6000169 4.7515859 4.7868078 5.0653332 5.1198643 5.1580354 5.2956209 5.3200042 5.3900657 5.5255164 5.7633253 5.8401209 5.9471640 5.9987468 6.1483847 6.3504922 6.6193763 6.7227944 6.8237764 6.9317147 7.0703435 7.3119828 7.5246488 7.5874159 7.8117246 7.8787077 7.9356304 8.0645180 8.1954488 8.4099630 8.4672458 8.6020106 8.7305841 8.7839983 8.9015356 8.9946816 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034332 0.0034339 0.0034339 0.0034339 0.0034339 0.0034340 0.0034340 0.0034340 0.0034340 30.9880808 39.2329667 42.5736413 45.6185913 46.1123292 48.8384230 51.2016361 52.6164332 63.3363955 68.1522454 70.4341198 78.9988427 84.1802702 84.4377481 86.5404316 93.6382847 93.9865429 95.4248776 98.4770621 102.5804759 104.1701111 109.7402862 110.9099809 113.4978234 118.5228424 122.1326673 122.8643734 126.2459229 130.8438353 132.1828500 138.6056373 140.4718429 144.6041492 145.5166876 148.8791392 151.2758779 153.9290169 157.7051999 160.3067033 164.5836563 165.8498644 170.6384699 174.0414160 175.4866147 177.3677512 179.3356635 182.4812677 186.0530959 187.8630002 191.5952770 193.9034007 198.7661190 205.1937745 206.7894144 210.4647056 213.3236664 215.3405395 217.4229385 220.8131443 223.5197302 229.7405904 232.9029535 236.7088924 237.5845931 244.3989230 245.7109477 246.6251949 249.8927883 250.4674337 252.1112997 255.2593829 260.6944874 262.4255993 264.8196687 265.9656475 269.2624516 273.6522185 279.3854687 281.5595059 283.6662539 285.9009636 288.7457080 293.6384085 297.8779783 299.1177776 303.5070216 304.8054833 305.9045918 308.3787817 310.8720317 314.9142570 315.9849246 318.4896091 320.8609986 321.8410249 323.9871213 325.6778165 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: 9.9955E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9994E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9998E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 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: 1.0000E-09 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 8.1433E-02 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.1305 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.1537 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.1765 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.1803 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.2023 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.2223 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.2348 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.3402 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.3939 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.4207 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.5292 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.6009 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.6046 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.6351 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.7436 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 0.7491 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 0.7722 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 0.8224 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 0.8924 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 0.9202 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 1.021 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 1.043 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 1.092 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 1.191 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 1.265 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 1.280 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 1.352 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 1.452 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 1.482 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 1.629 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 1.673 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 1.773 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 1.796 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 1.880 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 1.941 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 2.009 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 2.109 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 2.179 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 2.297 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 2.333 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 2.469 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 2.569 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 2.612 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 2.668 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 2.727 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 2.824 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 2.936 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 2.993 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 3.113 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 3.188 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 3.350 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 3.571 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 3.626 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 3.756 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 3.859 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 3.932 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 4.009 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 4.135 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 4.237 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 4.476 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 4.600 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 4.752 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 4.787 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 5.065 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 5.120 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 5.158 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 5.296 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 5.320 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 5.390 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 5.526 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 5.763 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 5.840 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 5.947 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 5.999 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 6.148 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 6.350 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 6.619 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 6.723 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 6.824 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 6.932 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 7.070 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 7.312 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 7.525 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 7.587 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 7.812 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 7.879 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 7.936 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 8.065 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 8.195 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 8.410 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 8.467 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 8.602 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 8.731 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 8.784 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 8.902 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 8.995 Rtb_to_modes> 106 vectors, with 372 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99998 0.99996 1.00000 1.00001 1.00005 1.00001 0.99999 1.00000 1.00002 1.00004 0.99999 0.99999 1.00002 1.00001 1.00001 0.99998 0.99999 0.99998 0.99996 0.99999 1.00002 0.99999 1.00003 1.00002 0.99997 0.99999 1.00002 1.00001 0.99999 0.99998 1.00000 1.00003 1.00000 1.00000 1.00004 0.99999 1.00001 1.00001 1.00003 1.00004 1.00002 0.99997 0.99999 0.99998 0.99998 1.00003 1.00002 1.00000 1.00001 1.00002 1.00000 1.00000 0.99996 0.99998 1.00001 1.00002 1.00001 1.00001 1.00002 1.00000 1.00001 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 0.99997 1.00001 0.99998 1.00000 1.00000 1.00000 1.00001 1.00002 1.00000 1.00000 0.99999 1.00002 0.99998 1.00001 1.00000 1.00000 1.00001 1.00003 0.99995 0.99995 1.00000 1.00001 1.00000 1.00003 0.99999 0.99999 0.99998 1.00003 1.00003 1.00002 0.99999 1.00001 0.99998 0.99997 0.99999 0.99998 1.00000 0.99999 1.00000 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): 0.99998 0.99996 1.00000 1.00001 1.00005 1.00001 0.99999 1.00000 1.00002 1.00004 0.99999 0.99999 1.00002 1.00001 1.00001 0.99998 0.99999 0.99998 0.99996 0.99999 1.00002 0.99999 1.00003 1.00002 0.99997 0.99999 1.00002 1.00001 0.99999 0.99998 1.00000 1.00003 1.00000 1.00000 1.00004 0.99999 1.00001 1.00001 1.00003 1.00004 1.00002 0.99997 0.99999 0.99998 0.99998 1.00003 1.00002 1.00000 1.00001 1.00002 1.00000 1.00000 0.99996 0.99998 1.00001 1.00002 1.00001 1.00001 1.00002 1.00000 1.00001 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 0.99997 1.00001 0.99998 1.00000 1.00000 1.00000 1.00001 1.00002 1.00000 1.00000 0.99999 1.00002 0.99998 1.00001 1.00000 1.00000 1.00001 1.00003 0.99995 0.99995 1.00000 1.00001 1.00000 1.00003 0.99999 0.99999 0.99998 1.00003 1.00003 1.00002 0.99999 1.00001 0.99998 0.99997 0.99999 0.99998 1.00000 0.99999 1.00000 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> 21010810021510939.eigenfacs Openam> file on opening on unit 10: 21010810021510939.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 21010810021510939.atom Openam> file on opening on unit 11: 21010810021510939.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: 9.9955E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 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: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 8.1433E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1305 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1537 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1765 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1803 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2023 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2223 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2348 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3402 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3939 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4207 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5292 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6009 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6046 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6351 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7436 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7491 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7722 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8224 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8924 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9202 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 1.021 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 1.043 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 1.092 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 1.191 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 1.265 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 1.280 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 1.352 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 1.452 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 1.482 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 1.629 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 1.673 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 1.773 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 1.796 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 1.880 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 1.941 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 2.009 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 2.109 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 2.179 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 2.297 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 2.333 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 2.469 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 2.569 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 2.612 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 2.668 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 2.727 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 2.824 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 2.936 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 2.993 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 3.113 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 3.188 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 3.350 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 3.571 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 3.626 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 3.756 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 3.859 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 3.932 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 4.009 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 4.135 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 4.237 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 4.476 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 4.600 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 4.752 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 4.787 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 5.065 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 5.120 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 5.158 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 5.296 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 5.320 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 5.390 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 5.526 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 5.763 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 5.840 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 5.947 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 5.999 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 6.148 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 6.350 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 6.619 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 6.723 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 6.824 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 6.932 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 7.070 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 7.312 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 7.525 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 7.587 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 7.812 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 7.879 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 7.936 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 8.065 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 8.195 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 8.410 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 8.467 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 8.602 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 8.731 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 8.784 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 8.902 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 8.995 Bfactors> 106 vectors, 558 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 9 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.081433 Bfactors> 97 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> = 8.193 +/- 10.28 Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -8.193 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> 21010810021510939.eigenfacs Openam> file on opening on unit 10: 21010810021510939.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 30.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 39.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 42.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 45.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 46.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 48.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 51.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 52.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 63.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 68.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 70.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 78.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 84.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 84.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 86.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 93.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 93.98 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 95.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 98.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 102.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 104.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 109.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 110.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 113.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 118.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 122.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 122.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 126.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 130.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 132.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 138.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 140.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 144.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 145.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 148.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 151.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 153.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 157.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 160.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 164.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 165.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 170.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 174.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 175.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 177.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 179.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 182.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 186.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 187.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 191.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 193.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 198.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 205.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 206.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 210.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 213.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 215.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 217.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 220.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 223.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 229.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 232.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 236.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 237.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 244.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 245.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 246.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 249.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 250.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 252.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 255.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 260.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 262.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 264.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 266.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 269.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 273.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 279.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 281.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 283.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 285.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 288.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 293.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 297.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 299.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 303.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 304.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 305.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 308.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 310.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 314.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 316.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 318.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 320.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 321.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 324.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 325.7 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 16 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 35 is: 1.0001 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.0185 0.0034 0.1173 0.0034 0.4544 0.0034 0.5912 0.0034 0.7083 0.0034 0.4143 0.0034 0.2273 0.0034 0.7991 0.0034 0.4300 30.9868 0.1483 39.2267 0.2795 42.5710 0.5827 45.6193 0.1850 46.1078 0.3025 48.8399 0.2166 51.1972 0.3142 52.6170 0.3749 63.3350 0.2827 68.1506 0.2556 70.4308 0.5773 78.9926 0.5890 84.1740 0.4766 84.4327 0.6514 86.5362 0.2938 93.6367 0.4015 93.9824 0.2331 95.4205 0.3296 98.4732 0.5197 102.5785 0.5199 104.1640 0.4518 109.7209 0.6348 110.8967 0.5142 113.4718 0.6392 118.5039 0.5647 122.1299 0.4535 122.8518 0.4877 126.2598 0.5159 130.8458 0.3594 132.1907 0.6353 138.5917 0.2912 140.4509 0.6707 144.5876 0.3272 145.5224 0.6320 148.8866 0.5334 151.2827 0.5496 153.9099 0.6161 157.6939 0.5559 160.2896 0.4558 164.5724 0.6647 165.8571 0.5586 170.6228 0.4894 174.0439 0.5115 175.4944 0.5562 177.3657 0.4958 179.3161 0.3775 182.4774 0.4721 186.0607 0.5410 187.8581 0.5646 191.5871 0.5916 193.8812 0.5443 198.7463 0.5858 205.1973 0.4503 206.7714 0.5406 210.4454 0.6351 213.3114 0.5735 215.3195 0.5150 217.4176 0.5354 220.8078 0.3931 223.5146 0.5214 229.7321 0.3157 232.8925 0.5174 236.7090 0.5167 237.5792 0.5991 244.3804 0.4038 245.7037 0.5960 246.6138 0.5786 249.8910 0.4701 250.4566 0.5667 252.0989 0.4420 255.2596 0.4324 260.6759 0.5214 262.4116 0.5992 264.8046 0.4961 265.9598 0.5518 269.2425 0.5493 273.6299 0.4666 279.3655 0.4723 281.5517 0.5536 283.6587 0.4418 285.8946 0.5144 288.7263 0.5459 293.6261 0.5162 297.8721 0.5198 299.0967 0.3601 303.4993 0.5872 304.7981 0.6049 305.8986 0.5068 308.3748 0.6535 310.8502 0.5896 314.9014 0.5322 315.9668 0.4489 318.4757 0.5734 320.8549 0.5687 321.8272 0.4808 323.9817 0.6417 325.6696 0.4837 getting mode 7 running: ../../bin/get_modes.sh 21010810021510939 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=0 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=100 21010810021510939.eigenfacs 21010810021510939.atom making animated gifs 11 models are in 21010810021510939.7.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 21010810021510939.7.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 21010810021510939.7.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 21010810021510939 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=0 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=100 21010810021510939.eigenfacs 21010810021510939.atom making animated gifs 11 models are in 21010810021510939.8.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 21010810021510939.8.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 21010810021510939.8.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 21010810021510939 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=0 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=100 21010810021510939.eigenfacs 21010810021510939.atom making animated gifs 11 models are in 21010810021510939.9.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 21010810021510939.9.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 21010810021510939.9.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 21010810021510939 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=0 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=100 21010810021510939.eigenfacs 21010810021510939.atom making animated gifs 11 models are in 21010810021510939.10.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 21010810021510939.10.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 21010810021510939.10.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 21010810021510939 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=-20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=0 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=20 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=40 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=60 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=80 21010810021510939.eigenfacs 21010810021510939.atom calculating perturbed structure for DQ=100 21010810021510939.eigenfacs 21010810021510939.atom making animated gifs 11 models are in 21010810021510939.11.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 21010810021510939.11.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 21010810021510939.11.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 21010810021510939.10.pdb 21010810021510939.11.pdb 21010810021510939.7.pdb 21010810021510939.8.pdb 21010810021510939.9.pdb STDERR: real 0m0.756s user 0m0.748s sys 0m0.004s 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.