*** pigments2 ***
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 = 22110512522071667.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 22110512522071667.atom to be opened.
Openam> File opened: 22110512522071667.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 = 10
First residue number = 313
Last residue number = 322
Number of atoms found = 1038
Mean number per residue = 103.8
Pdbmat> Coordinate statistics:
= 45.372418 +/- 11.281856 From: 23.855000 To: 65.005000
= 43.798012 +/- 7.238099 From: 27.989000 To: 63.284000
= 31.442472 +/- 5.190650 From: 20.019000 To: 45.949000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'LOP ' is not a well known amino-acid.
%Pdbmat-W> residue:'CHL ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 10 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 11.1470 % Filled.
Pdbmat> 540638 non-zero elements.
Pdbmat> 59390 atom-atom interactions.
Pdbmat> Number per atom= 114.43 +/- 41.76
Maximum number = 210
Minimum number = 30
Pdbmat> Matrix trace = 1.187800E+06
Pdbmat> Larger element = 765.409
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
10 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 = 22110512522071667.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 22110512522071667.atom to be opened.
Openam> file on opening on unit 11:
22110512522071667.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1038 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> 10 residues.
Blocpdb> 96 atoms in block 1
Block first atom: 1
Blocpdb> 96 atoms in block 2
Block first atom: 97
Blocpdb> 96 atoms in block 3
Block first atom: 193
Blocpdb> 96 atoms in block 4
Block first atom: 289
Blocpdb> 96 atoms in block 5
Block first atom: 385
Blocpdb> 96 atoms in block 6
Block first atom: 481
Blocpdb> 96 atoms in block 7
Block first atom: 577
Blocpdb> 96 atoms in block 8
Block first atom: 673
Blocpdb> 135 atoms in block 9
Block first atom: 769
Blocpdb> 135 atoms in block 10
Block first atom: 903
Blocpdb> 10 blocks.
Blocpdb> At most, 135 atoms in each of them.
Blocpdb> At least, 96 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-Wn> 60 eigenvectors, only, can be determined.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 540648 matrix lines read.
Prepmat> Matrix order = 3114
Prepmat> Matrix trace = 1187800.0000
Prepmat> Last element read: 3114 3114 519.8418
Prepmat> 56 lines saved.
Prepmat> 11 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: 1038
RTB> Total mass = 1038.0000
RTB> Number of atoms found in matrix: 1038
RTB> Number of blocks = 10
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 13251.2922
RTB> 1434 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 = 60
Diagstd> Nb of non-zero elements: 1434
Diagstd> Projected matrix trace = 13251.2922
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 60 eigenvectors are computed.
Diagstd> 60 of them to be saved.
Diagstd> Sum of eigenvalues = 13251.2922
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 8.9910323 11.7727115 21.5180197 33.8419243
36.9870866 45.7003221 50.9239488 68.1852652 68.8916968
77.3454132 93.9939209 115.3707536 118.1376348 123.6557446
135.0138699 145.6159118 152.8786773 160.5718698 168.7593359
179.0002283 185.7964114 193.1835240 201.0130150 211.2365129
217.8292280 226.3303002 241.0922976 252.1099178 252.8232987
262.8781949 272.1362676 278.4399075 280.3247234 286.3231439
289.1925121 299.3211422 308.6727550 312.7749830 325.7381287
331.2950851 333.5254431 345.9856732 362.0041421 373.1004475
386.4477485 411.0831178 432.4062949 450.6174918 461.9412843
490.4344965 499.6459427 515.4173283 536.9178731 606.0982016
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034336 0.0034338 0.0034339 0.0034339 0.0034341
0.0034342 325.6117437 372.5920050 503.7283929 631.7173505
660.4201906 734.0994701 774.9190130 896.6863265 901.3194047
955.0202103 1052.7982720 1166.3882743 1180.2918715 1207.5425109
1261.7824223 1310.3873659 1342.6683097 1376.0366858 1410.6821925
1452.8543321 1480.1779865 1509.3165086 1539.5981092 1578.2644526
1602.7041313 1633.6786371 1686.1140533 1724.2103420 1726.6480680
1760.6480995 1791.3831807 1812.0117965 1818.1343892 1837.4837511
1846.6679090 1878.7282992 1907.8508918 1920.4866159 1959.8804411
1976.5271158 1983.1691829 2019.8742750 2066.1033895 2097.5299237
2134.7187809 2201.7099298 2258.0901907 2305.1505959 2333.9345282
2404.8377763 2427.3168062 2465.3284527 2516.2234813 2673.4174468
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1038
Rtb_to_modes> Number of blocs = 10
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: 9.9980E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.991
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 11.77
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 21.52
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 33.84
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 36.99
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 45.70
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 50.92
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 68.19
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 68.89
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 77.35
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 93.99
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 115.4
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 118.1
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 123.7
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 135.0
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 145.6
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 152.9
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 160.6
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 168.8
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 179.0
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 185.8
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 193.2
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 201.0
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 211.2
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 217.8
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 226.3
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 241.1
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 252.1
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 252.8
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 262.9
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 272.1
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 278.4
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 280.3
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 286.3
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 289.2
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 299.3
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 308.7
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 312.8
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 325.7
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 331.3
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 333.5
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 346.0
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 362.0
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 373.1
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 386.4
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 411.1
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 432.4
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 450.6
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 461.9
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 490.4
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 499.6
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 515.4
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 536.9
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 606.1
Rtb_to_modes> 60 vectors, with 60 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 0.99999 1.00004 1.00003 0.99998
1.00002 1.00002 0.99995 0.99999 1.00001
0.99997 0.99997 1.00008 1.00002 1.00006
0.99998 1.00001 1.00006 1.00003 1.00000
0.99997 1.00001 0.99999 0.99996 1.00000
0.99998 1.00004 1.00000 1.00004 0.99998
0.99998 1.00000 1.00003 0.99996 0.99999
1.00003 0.99999 1.00000 1.00004 1.00000
1.00002 1.00003 1.00001 1.00002 1.00002
0.99995 1.00006 1.00000 1.00000 1.00001
1.00003 1.00001 1.00001 1.00004 1.00003
1.00001 0.99999 1.00003 1.00004 1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 18684 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 0.99999 1.00004 1.00003 0.99998
1.00002 1.00002 0.99995 0.99999 1.00001
0.99997 0.99997 1.00008 1.00002 1.00006
0.99998 1.00001 1.00006 1.00003 1.00000
0.99997 1.00001 0.99999 0.99996 1.00000
0.99998 1.00004 1.00000 1.00004 0.99998
0.99998 1.00000 1.00003 0.99996 0.99999
1.00003 0.99999 1.00000 1.00004 1.00000
1.00002 1.00003 1.00001 1.00002 1.00002
0.99995 1.00006 1.00000 1.00000 1.00001
1.00003 1.00001 1.00001 1.00004 1.00003
1.00001 0.99999 1.00003 1.00004 1.00004
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> 60 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 22110512522071667.eigenfacs
Openam> file on opening on unit 10:
22110512522071667.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 22110512522071667.atom
Openam> file on opening on unit 11:
22110512522071667.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 = 10
First residue number = 313
Last residue number = 322
Number of atoms found = 1038
Mean number per residue = 103.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-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: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 11.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 21.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 33.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 36.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 45.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 50.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 68.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 68.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 77.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 93.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 115.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 118.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 123.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 135.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 145.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 152.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 160.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 168.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 179.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 185.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 193.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 201.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 211.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 217.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 226.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 241.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 252.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 252.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 262.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 272.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 278.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 280.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 286.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 289.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 299.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 308.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 312.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 325.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 331.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 333.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 346.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 362.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 373.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 386.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 411.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 432.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 450.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 461.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 490.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 499.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 515.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 536.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 606.1
Bfactors> 60 vectors, 3114 coordinates in file.
%Bfactors-Wn> All vectors required were not found in vector file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 8.991000
Bfactors> 54 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> 0 negative values found in the B-factors column of pdb file.
%Bfactors-Wn> So, only mass-weighted predicted B-factors will be saved.
(CHARMM units assumed for eigenvalues)
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 22110512522071667.eigenfacs
Openam> file on opening on unit 10:
22110512522071667.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4336E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-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: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 325.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 372.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 503.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 631.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 660.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 734.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 774.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 896.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 901.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 955.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 1053.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 1166.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 1180.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 1208.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 1262.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 1310.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 1343.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 1376.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 1411.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 1453.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 1480.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 1509.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 1539.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 1578.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 1603.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 1633.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 1686.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 1724.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 1726.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 1761.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 1791.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 1812.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 1818.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 1837.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 1847.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 1879.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 1908.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 1920.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 1960.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 1976.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 1983.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 2020.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 2066.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 2097.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 2134.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 2202.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 2258.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 2305.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 2334.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 2405.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 2427.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 2465.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 2516.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 2673.
Chkmod> 60 vectors, 3114 coordinates in file.
Chkmod> That is: 1038 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 13 is: 1.0002 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 15 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 18 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 46 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 47 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.9656
0.0034 0.8026
0.0034 0.8204
0.0034 0.7540
0.0034 0.6743
0.0034 0.6787
325.5972 0.7247
372.5331 0.6115
503.7299 0.5637
631.6723 0.2203
660.4178 0.2496
734.0654 0.4054
774.8557 0.4012
896.6790 0.5610
901.2696 0.3336
955.0075 0.4278
1052.7311 0.5581
1166.4860 0.5691
1180.0532 0.5328
1207.7067 0.5588
1261.6634 0.5442
1310.2595 0.2707
1342.7043 0.7062
1376.0981 0.5278
1410.7916 0.5653
1452.7910 0.4936
1480.1287 0.5926
1509.3161 0.5150
1539.4822 0.7075
1578.0603 0.7022
1602.5278 0.6163
1633.4992 0.6907
1686.0686 0.6816
1724.1024 0.6527
1726.4944 0.6269
1760.6455 0.6197
1791.1869 0.6129
1811.8042 0.6270
1817.9762 0.6545
1837.3306 0.6631
1846.6125 0.5570
1878.5813 0.5675
1907.8532 0.6170
1920.4810 0.5703
1959.6816 0.6846
1976.4569 0.7038
1983.0084 0.5508
2019.8294 0.6005
2066.0029 0.6040
2097.4386 0.6213
2134.4953 0.5952
2201.6606 0.4730
2257.9768 0.4036
2305.0069 0.5137
2333.7300 0.4101
2404.6500 0.4276
2427.1010 0.4434
2465.1812 0.5228
2516.0736 0.3663
2673.3066 0.2338
getting mode 7
running: ../../bin/get_modes.sh 22110512522071667 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.7.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 22110512522071667.7.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 22110512522071667.7.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 22110512522071667 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.8.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 22110512522071667.8.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 22110512522071667.8.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 22110512522071667 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.9.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 22110512522071667.9.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 22110512522071667.9.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 22110512522071667 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.10.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 22110512522071667.10.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 22110512522071667.10.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 22110512522071667 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.11.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 22110512522071667.11.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 22110512522071667.11.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
getting mode 12
running: ../../bin/get_modes.sh 22110512522071667 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.12.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 22110512522071667.12.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 22110512522071667.12.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 13
running: ../../bin/get_modes.sh 22110512522071667 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.13.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 22110512522071667.13.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 22110512522071667.13.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 14
running: ../../bin/get_modes.sh 22110512522071667 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.14.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 22110512522071667.14.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 22110512522071667.14.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 15
running: ../../bin/get_modes.sh 22110512522071667 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.15.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 22110512522071667.15.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 22110512522071667.15.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 16
running: ../../bin/get_modes.sh 22110512522071667 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.16.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 22110512522071667.16.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 22110512522071667.16.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 17
running: ../../bin/get_modes.sh 22110512522071667 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.17.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 22110512522071667.17.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 22110512522071667.17.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 18
running: ../../bin/get_modes.sh 22110512522071667 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.18.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 22110512522071667.18.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 22110512522071667.18.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 19
running: ../../bin/get_modes.sh 22110512522071667 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.19.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 22110512522071667.19.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 22110512522071667.19.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 20
running: ../../bin/get_modes.sh 22110512522071667 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.20.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 22110512522071667.20.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 22110512522071667.20.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 21
running: ../../bin/get_modes.sh 22110512522071667 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.21.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 22110512522071667.21.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 22110512522071667.21.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 22
running: ../../bin/get_modes.sh 22110512522071667 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.22.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 22110512522071667.22.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 22110512522071667.22.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 23
running: ../../bin/get_modes.sh 22110512522071667 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.23.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 22110512522071667.23.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 22110512522071667.23.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 24
running: ../../bin/get_modes.sh 22110512522071667 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.24.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 22110512522071667.24.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 22110512522071667.24.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 25
running: ../../bin/get_modes.sh 22110512522071667 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.25.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 22110512522071667.25.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 22110512522071667.25.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 26
running: ../../bin/get_modes.sh 22110512522071667 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.26.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 22110512522071667.26.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 22110512522071667.26.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 27
running: ../../bin/get_modes.sh 22110512522071667 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.27.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 22110512522071667.27.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 22110512522071667.27.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 28
running: ../../bin/get_modes.sh 22110512522071667 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.28.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 22110512522071667.28.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 22110512522071667.28.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 29
running: ../../bin/get_modes.sh 22110512522071667 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.29.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 22110512522071667.29.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 22110512522071667.29.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 30
running: ../../bin/get_modes.sh 22110512522071667 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.30.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 22110512522071667.30.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 22110512522071667.30.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 31
running: ../../bin/get_modes.sh 22110512522071667 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=-20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=0
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=20
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=40
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=60
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=80
22110512522071667.eigenfacs
22110512522071667.atom
calculating perturbed structure for DQ=100
22110512522071667.eigenfacs
22110512522071667.atom
making animated gifs
11 models are in 22110512522071667.31.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 22110512522071667.31.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 22110512522071667.31.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
22110512522071667.10.pdb
22110512522071667.11.pdb
22110512522071667.12.pdb
22110512522071667.13.pdb
22110512522071667.14.pdb
22110512522071667.15.pdb
22110512522071667.16.pdb
22110512522071667.17.pdb
22110512522071667.18.pdb
22110512522071667.19.pdb
22110512522071667.20.pdb
22110512522071667.21.pdb
22110512522071667.22.pdb
22110512522071667.23.pdb
22110512522071667.24.pdb
22110512522071667.25.pdb
22110512522071667.26.pdb
22110512522071667.27.pdb
22110512522071667.28.pdb
22110512522071667.29.pdb
22110512522071667.30.pdb
22110512522071667.31.pdb
22110512522071667.7.pdb
22110512522071667.8.pdb
22110512522071667.9.pdb
STDERR:
real 0m0.579s
user 0m0.560s
sys 0m0.020s
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If you find results from this site helpful for your research, please cite one of our papers:
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.
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