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***  without_ca_sim2  ***

LOGs for ID: 21010710030744224

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 = 21010710030744224.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 21010710030744224.atom to be opened. Openam> File opened: 21010710030744224.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: = 60.300645 +/- 11.643904 From: 38.280000 To: 80.870000 = 60.339355 +/- 9.689074 From: 40.150000 To: 80.920000 = 28.523387 +/- 7.942740 From: 9.460000 To: 49.930000 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 4.9500 % Filled. Pdbmat> 7720 non-zero elements. Pdbmat> 736 atom-atom interactions. Pdbmat> Number per atom= 7.91 +/- 2.04 Maximum number = 14 Minimum number = 2 Pdbmat> Matrix trace = 14720.0 Pdbmat> Larger element = 65.1506 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 = 21010710030744224.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 21010710030744224.atom to be opened. Openam> file on opening on unit 11: 21010710030744224.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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 A 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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 B 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> 7782 matrix lines read. Prepmat> Matrix order = 558 Prepmat> Matrix trace = 14720.0000 Prepmat> Last element read: 558 558 19.8556 Prepmat> 1954 lines saved. Prepmat> 1722 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 = 8066.5733 RTB> 7375 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: 7375 Diagstd> Projected matrix trace = 8066.5733 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 = 8066.5733 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 8 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 0.0004492 0.0240426 0.0316083 0.0339399 0.0430920 0.0483079 0.0629869 0.0657328 0.0765484 0.0923985 0.1175302 0.1347108 0.1373509 0.1768898 0.1848249 0.2033957 0.2079765 0.2326343 0.2586956 0.2708654 0.2769569 0.3198935 0.3532997 0.3641726 0.4349951 0.4480515 0.4804459 0.4986842 0.5394469 0.5531126 0.6078145 0.6140557 0.6543338 0.7188543 0.7611420 0.7955302 0.8288207 0.8745250 0.9276369 0.9903458 1.0252259 1.1098805 1.1699415 1.2332675 1.3092725 1.3245488 1.3813851 1.4607705 1.5271247 1.6002890 1.6517109 1.7737907 1.7873202 1.8657051 1.9792473 2.1060686 2.1590303 2.1794065 2.2815466 2.3238826 2.4618414 2.5311264 2.6353996 2.6538485 2.8853892 2.9243940 2.9834390 3.0606879 3.1607482 3.2221010 3.2644058 3.3101647 3.3794396 3.5561868 3.6016078 3.6973025 3.7846774 3.8094869 3.8714031 3.9187474 4.0414911 4.1380082 4.2104691 4.3211972 4.3350220 4.3931714 4.4611624 4.6499619 4.7121105 4.7524338 4.8121821 4.9706520 5.1798090 5.2293587 5.3119874 5.3987593 5.5631937 5.6144674 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034338 0.0034339 0.0034339 0.0034340 0.0034340 0.0034340 0.0034340 0.0034340 2.3014916 16.8378369 19.3061704 20.0055662 22.5420626 23.8673608 27.2533797 27.8410875 30.0443916 33.0086458 37.2280295 39.8562499 40.2449218 45.6716531 46.6847986 48.9740616 49.5224785 52.3759845 55.2318772 56.5160791 57.1480398 61.4183289 64.5456377 65.5313166 71.6205165 72.6874204 75.2692367 76.6845884 79.7571536 80.7610675 84.6604929 85.0940451 87.8405338 92.0694853 94.7388559 96.8553524 98.8611338 101.5503433 104.5885839 108.0659117 109.9524873 114.4019400 117.4565831 120.5935073 124.2539784 124.9767579 127.6299703 131.2460594 134.1938250 137.3708210 139.5604296 144.6260319 145.1765471 148.3258268 152.7725436 157.5910470 159.5602299 160.3113963 164.0249661 165.5397795 170.3826290 172.7635823 176.2862820 176.9022439 184.4579944 185.7005635 187.5658912 189.9786531 193.0590781 194.9237935 196.1992533 197.5695837 199.6262382 204.7800126 206.0836276 208.8034981 211.2563215 211.9476081 213.6630764 214.9655731 218.3062119 220.8975790 222.8232599 225.7341800 226.0949861 227.6063400 229.3608551 234.1639188 235.7235725 236.7300115 238.2134665 242.1039965 247.1451859 248.3244589 250.2786480 252.3145320 256.1281841 257.3057912 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: 9.9991E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9999E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 4.4919E-04 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 2.4043E-02 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 3.1608E-02 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 3.3940E-02 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 4.3092E-02 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 4.8308E-02 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 6.2987E-02 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 6.5733E-02 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 7.6548E-02 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 9.2398E-02 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.1175 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.1347 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 0.1374 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 0.1769 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 0.1848 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 0.2034 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 0.2080 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 0.2326 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 0.2587 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 0.2709 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 0.2770 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 0.3199 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 0.3533 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 0.3642 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 0.4350 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 0.4481 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 0.4804 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 0.4987 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 0.5394 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 0.5531 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 0.6078 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 0.6141 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 0.6543 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 0.7189 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 0.7611 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 0.7955 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 0.8288 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 0.8745 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 0.9276 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 0.9903 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 1.025 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 1.110 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 1.170 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 1.233 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 1.309 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 1.325 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 1.381 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 1.461 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 1.527 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 1.600 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 1.652 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 1.774 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 1.787 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 1.866 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 1.979 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 2.106 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 2.159 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 2.179 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 2.282 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 2.324 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 2.462 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 2.531 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 2.635 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 2.654 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 2.885 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 2.924 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 2.983 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 3.061 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 3.161 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 3.222 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 3.264 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 3.310 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 3.379 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 3.556 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 3.602 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 3.697 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 3.785 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 3.809 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 3.871 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 3.919 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 4.041 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 4.138 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 4.210 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 4.321 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 4.335 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 4.393 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 4.461 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 4.650 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 4.712 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 4.752 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 4.812 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 4.971 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 5.180 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 5.229 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 5.312 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 5.399 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 5.563 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 5.614 Rtb_to_modes> 106 vectors, with 372 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00002 0.99998 0.99999 1.00002 0.99999 1.00000 0.99995 1.00000 1.00000 0.99999 0.99998 0.99997 0.99999 1.00002 0.99998 0.99998 1.00000 1.00001 1.00002 0.99997 1.00000 1.00000 1.00003 1.00001 1.00002 1.00004 1.00001 1.00003 0.99996 1.00002 1.00001 0.99998 0.99999 0.99999 0.99999 1.00002 0.99999 0.99997 1.00000 1.00001 1.00002 0.99999 0.99994 1.00000 1.00002 0.99998 0.99997 1.00003 1.00001 0.99998 0.99997 1.00002 1.00000 1.00000 1.00001 0.99999 0.99998 1.00000 0.99998 0.99998 1.00002 1.00004 0.99999 1.00000 1.00001 1.00000 1.00000 1.00001 1.00001 0.99999 0.99999 0.99996 1.00000 1.00004 1.00000 1.00004 1.00001 1.00000 1.00001 0.99997 0.99999 0.99997 1.00001 1.00000 1.00001 0.99999 0.99999 1.00001 0.99998 1.00003 1.00001 1.00003 1.00003 1.00002 0.99999 0.99998 1.00005 0.99999 0.99998 1.00005 1.00000 0.99999 0.99999 0.99998 1.00000 1.00003 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): 1.00002 0.99998 0.99999 1.00002 0.99999 1.00000 0.99995 1.00000 1.00000 0.99999 0.99998 0.99997 0.99999 1.00002 0.99998 0.99998 1.00000 1.00001 1.00002 0.99997 1.00000 1.00000 1.00003 1.00001 1.00002 1.00004 1.00001 1.00003 0.99996 1.00002 1.00001 0.99998 0.99999 0.99999 0.99999 1.00002 0.99999 0.99997 1.00000 1.00001 1.00002 0.99999 0.99994 1.00000 1.00002 0.99998 0.99997 1.00003 1.00001 0.99998 0.99997 1.00002 1.00000 1.00000 1.00001 0.99999 0.99998 1.00000 0.99998 0.99998 1.00002 1.00004 0.99999 1.00000 1.00001 1.00000 1.00000 1.00001 1.00001 0.99999 0.99999 0.99996 1.00000 1.00004 1.00000 1.00004 1.00001 1.00000 1.00001 0.99997 0.99999 0.99997 1.00001 1.00000 1.00001 0.99999 0.99999 1.00001 0.99998 1.00003 1.00001 1.00003 1.00003 1.00002 0.99999 0.99998 1.00005 0.99999 0.99998 1.00005 1.00000 0.99999 0.99999 0.99998 1.00000 1.00003 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> 21010710030744224.eigenfacs Openam> file on opening on unit 10: 21010710030744224.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 21010710030744224.atom Openam> file on opening on unit 11: 21010710030744224.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: 9.9991E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 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: 4.4919E-04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 2.4043E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 3.1608E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 3.3940E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 4.3092E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 4.8308E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 6.2987E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 6.5733E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 7.6548E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 9.2398E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1175 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1347 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1374 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1769 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1848 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2034 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2080 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2326 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2587 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2709 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2770 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3199 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3533 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3642 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4350 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4481 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4804 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4987 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5394 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5531 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6078 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6141 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6543 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7189 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7611 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7955 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8288 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8745 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9276 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9903 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 1.025 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 1.110 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 1.170 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 1.233 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 1.309 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 1.325 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 1.381 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 1.461 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 1.527 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 1.600 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 1.652 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 1.774 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 1.787 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 1.866 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 1.979 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 2.106 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 2.159 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 2.179 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 2.282 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 2.324 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 2.462 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 2.531 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 2.635 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 2.654 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 2.885 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 2.924 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 2.983 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 3.061 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 3.161 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 3.222 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 3.264 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 3.310 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 3.379 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 3.556 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 3.602 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 3.697 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 3.785 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 3.809 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 3.871 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 3.919 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 4.041 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 4.138 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 4.210 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 4.321 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 4.335 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 4.393 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 4.461 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 4.650 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 4.712 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 4.752 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 4.812 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 4.971 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 5.180 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 5.229 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 5.312 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 5.399 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 5.563 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 5.614 Bfactors> 106 vectors, 558 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 8 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.000449 Bfactors> 98 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> = 212.425 +/- ****** Bfactors> = 0.000 +/- 0.00 Bfactors> Shiftng-fct= -212.425 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> 21010710030744224.eigenfacs Openam> file on opening on unit 10: 21010710030744224.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 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: 2.301 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 16.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 19.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 20.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 22.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 23.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 27.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 27.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 30.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 33.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 37.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 39.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 40.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 45.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 46.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 48.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 49.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 52.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 55.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 56.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 57.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 61.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 64.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 65.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 71.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 72.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 75.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 76.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 79.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 80.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 84.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 85.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 87.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 92.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 94.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 96.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 98.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 101.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 104.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 108.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 109.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 114.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 117.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 120.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 124.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 125.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 127.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 131.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 134.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 137.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 139.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 144.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 145.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 148.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 152.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 157.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 159.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 160.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 164.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 165.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 170.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 172.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 176.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 176.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 184.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 185.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 187.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 190.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 193.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 194.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 196.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 197.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 199.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 204.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 206.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 208.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 211.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 211.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 213.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 215.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 218.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 220.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 222.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 225.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 226.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 227.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 229.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 234.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 235.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 236.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 238.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 242.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 247.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 248.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 250.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 252.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 256.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 257.3 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 2 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 48 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 72 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 90 is: 1.0002 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7660 0.0034 0.0184 0.0034 0.8300 0.0034 0.9470 0.0034 0.6752 0.0034 0.6158 0.0034 0.3448 0.0034 0.0757 2.3014 0.0312 16.8372 0.2732 19.3052 0.5725 20.0047 0.3183 22.5411 0.2360 23.8664 0.1722 27.2522 0.4243 27.8399 0.2217 30.0430 0.7092 33.0071 0.3555 37.2216 0.4416 39.8529 0.3904 40.2504 0.4427 45.6710 0.5938 46.6797 0.5550 48.9725 0.7248 49.5232 0.5635 52.3699 0.6166 55.2300 0.6296 56.5173 0.5764 57.1500 0.6319 61.4163 0.5100 64.5429 0.5255 65.5310 0.5603 71.6178 0.3607 72.6882 0.5919 75.2624 0.6018 76.6825 0.3108 79.7503 0.5900 80.7567 0.7084 84.6559 0.4438 85.0935 0.2795 87.8345 0.4475 92.0685 0.5482 94.7322 0.2942 96.8494 0.4187 98.8557 0.3681 101.5445 0.5463 104.5820 0.6455 108.0588 0.5794 109.9357 0.5236 114.4032 0.6176 117.4545 0.3595 120.5753 0.6859 124.2357 0.5697 124.9927 0.2997 127.6067 0.6572 131.2507 0.6178 134.1826 0.6388 137.3525 0.4829 139.5667 0.5669 144.6284 0.3437 145.1573 0.5628 148.3312 0.6238 152.7564 0.5992 157.5817 0.5698 159.5523 0.5741 160.2896 0.4935 164.0342 0.4144 165.5369 0.4097 170.3808 0.5906 172.7519 0.5557 176.2653 0.2414 176.8997 0.5492 184.4376 0.3933 185.6801 0.5402 187.5440 0.5402 189.9802 0.1494 193.0585 0.3719 194.9124 0.4358 196.1786 0.5499 197.5562 0.5416 199.6047 0.5223 204.7658 0.4165 206.0860 0.5206 208.7860 0.6447 211.2563 0.3047 211.9250 0.4210 213.6428 0.4463 214.9633 0.6583 218.2836 0.4712 220.8879 0.5368 222.8013 0.4894 225.7193 0.6030 226.0847 0.3309 227.5921 0.6372 229.3468 0.6355 234.1548 0.5876 235.7107 0.5534 236.7090 0.5864 238.1987 0.5949 242.1021 0.5162 247.1391 0.4649 248.3053 0.5542 250.2682 0.5819 252.3093 0.5606 256.1127 0.6119 257.2840 0.3964 getting mode 7 running: ../../bin/get_modes.sh 21010710030744224 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=0 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=100 21010710030744224.eigenfacs 21010710030744224.atom making animated gifs 11 models are in 21010710030744224.7.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 21010710030744224.7.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 21010710030744224.7.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 21010710030744224 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=0 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=100 21010710030744224.eigenfacs 21010710030744224.atom making animated gifs 11 models are in 21010710030744224.8.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 21010710030744224.8.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 21010710030744224.8.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 21010710030744224 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=0 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=100 21010710030744224.eigenfacs 21010710030744224.atom making animated gifs 11 models are in 21010710030744224.9.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 21010710030744224.9.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 21010710030744224.9.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 21010710030744224 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=0 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=100 21010710030744224.eigenfacs 21010710030744224.atom making animated gifs 11 models are in 21010710030744224.10.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 21010710030744224.10.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 21010710030744224.10.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 21010710030744224 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=-20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=0 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=20 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=40 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=60 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=80 21010710030744224.eigenfacs 21010710030744224.atom calculating perturbed structure for DQ=100 21010710030744224.eigenfacs 21010710030744224.atom making animated gifs 11 models are in 21010710030744224.11.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 21010710030744224.11.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 21010710030744224.11.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 21010710030744224.10.pdb 21010710030744224.11.pdb 21010710030744224.7.pdb 21010710030744224.8.pdb 21010710030744224.9.pdb STDERR: real 0m0.661s user 0m0.648s sys 0m0.012s 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.