*** ***
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 = 2404082132133069958.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 2404082132133069958.atom to be opened.
Openam> File opened: 2404082132133069958.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 = 242
First residue number = 1
Last residue number = 242
Number of atoms found = 2484
Mean number per residue = 10.3
Pdbmat> Coordinate statistics:
= 70.489457 +/- 12.821996 From: 37.510000 To: 100.080000
= 70.418402 +/- 8.910127 From: 45.400000 To: 92.760000
= 70.510370 +/- 9.724645 From: 47.970000 To: 95.200000
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 4.2700 % Filled.
Pdbmat> 1185776 non-zero elements.
Pdbmat> 130315 atom-atom interactions.
Pdbmat> Number per atom= 104.92 +/- 33.28
Maximum number = 186
Minimum number = 17
Pdbmat> Matrix trace = 2.606300E+06
Pdbmat> Larger element = 686.965
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
242 non-zero elements, NRBL set to 2
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 = 2404082132133069958.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404082132133069958.atom to be opened.
Openam> file on opening on unit 11:
2404082132133069958.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2484 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 242 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 20
Blocpdb> 14 atoms in block 3
Block first atom: 47
Blocpdb> 22 atoms in block 4
Block first atom: 61
Blocpdb> 18 atoms in block 5
Block first atom: 83
Blocpdb> 22 atoms in block 6
Block first atom: 101
Blocpdb> 14 atoms in block 7
Block first atom: 123
Blocpdb> 24 atoms in block 8
Block first atom: 137
Blocpdb> 13 atoms in block 9
Block first atom: 161
Blocpdb> 21 atoms in block 10
Block first atom: 174
Blocpdb> 23 atoms in block 11
Block first atom: 195
Blocpdb> 24 atoms in block 12
Block first atom: 218
Blocpdb> 12 atoms in block 13
Block first atom: 242
Blocpdb> 18 atoms in block 14
Block first atom: 254
Blocpdb> 13 atoms in block 15
Block first atom: 272
Blocpdb> 14 atoms in block 16
Block first atom: 285
Blocpdb> 22 atoms in block 17
Block first atom: 299
Blocpdb> 20 atoms in block 18
Block first atom: 321
Blocpdb> 22 atoms in block 19
Block first atom: 341
Blocpdb> 15 atoms in block 20
Block first atom: 363
Blocpdb> 26 atoms in block 21
Block first atom: 378
Blocpdb> 14 atoms in block 22
Block first atom: 404
Blocpdb> 26 atoms in block 23
Block first atom: 418
Blocpdb> 27 atoms in block 24
Block first atom: 444
Blocpdb> 14 atoms in block 25
Block first atom: 471
Blocpdb> 31 atoms in block 26
Block first atom: 485
Blocpdb> 22 atoms in block 27
Block first atom: 516
Blocpdb> 14 atoms in block 28
Block first atom: 538
Blocpdb> 16 atoms in block 29
Block first atom: 552
Blocpdb> 20 atoms in block 30
Block first atom: 568
Blocpdb> 22 atoms in block 31
Block first atom: 588
Blocpdb> 35 atoms in block 32
Block first atom: 610
Blocpdb> 26 atoms in block 33
Block first atom: 645
Blocpdb> 29 atoms in block 34
Block first atom: 671
Blocpdb> 22 atoms in block 35
Block first atom: 700
Blocpdb> 22 atoms in block 36
Block first atom: 722
Blocpdb> 17 atoms in block 37
Block first atom: 744
Blocpdb> 12 atoms in block 38
Block first atom: 761
Blocpdb> 21 atoms in block 39
Block first atom: 773
Blocpdb> 18 atoms in block 40
Block first atom: 794
Blocpdb> 16 atoms in block 41
Block first atom: 812
Blocpdb> 23 atoms in block 42
Block first atom: 828
Blocpdb> 16 atoms in block 43
Block first atom: 851
Blocpdb> 17 atoms in block 44
Block first atom: 867
Blocpdb> 22 atoms in block 45
Block first atom: 884
Blocpdb> 14 atoms in block 46
Block first atom: 906
Blocpdb> 15 atoms in block 47
Block first atom: 920
Blocpdb> 16 atoms in block 48
Block first atom: 935
Blocpdb> 27 atoms in block 49
Block first atom: 951
Blocpdb> 20 atoms in block 50
Block first atom: 978
Blocpdb> 14 atoms in block 51
Block first atom: 998
Blocpdb> 29 atoms in block 52
Block first atom: 1012
Blocpdb> 26 atoms in block 53
Block first atom: 1041
Blocpdb> 35 atoms in block 54
Block first atom: 1067
Blocpdb> 32 atoms in block 55
Block first atom: 1102
Blocpdb> 22 atoms in block 56
Block first atom: 1134
Blocpdb> 24 atoms in block 57
Block first atom: 1156
Blocpdb> 20 atoms in block 58
Block first atom: 1180
Blocpdb> 19 atoms in block 59
Block first atom: 1200
Blocpdb> 16 atoms in block 60
Block first atom: 1219
Blocpdb> 18 atoms in block 61
Block first atom: 1235
Blocpdb> 26 atoms in block 62
Block first atom: 1253
Blocpdb> 19 atoms in block 63
Block first atom: 1279
Blocpdb> 18 atoms in block 64
Block first atom: 1298
Blocpdb> 18 atoms in block 65
Block first atom: 1316
Blocpdb> 21 atoms in block 66
Block first atom: 1334
Blocpdb> 19 atoms in block 67
Block first atom: 1355
Blocpdb> 18 atoms in block 68
Block first atom: 1374
Blocpdb> 18 atoms in block 69
Block first atom: 1392
Blocpdb> 19 atoms in block 70
Block first atom: 1410
Blocpdb> 26 atoms in block 71
Block first atom: 1429
Blocpdb> 11 atoms in block 72
Block first atom: 1455
Blocpdb> 23 atoms in block 73
Block first atom: 1466
Blocpdb> 18 atoms in block 74
Block first atom: 1489
Blocpdb> 12 atoms in block 75
Block first atom: 1507
Blocpdb> 17 atoms in block 76
Block first atom: 1519
Blocpdb> 22 atoms in block 77
Block first atom: 1536
Blocpdb> 18 atoms in block 78
Block first atom: 1558
Blocpdb> 20 atoms in block 79
Block first atom: 1576
Blocpdb> 15 atoms in block 80
Block first atom: 1596
Blocpdb> 18 atoms in block 81
Block first atom: 1611
Blocpdb> 24 atoms in block 82
Block first atom: 1629
Blocpdb> 25 atoms in block 83
Block first atom: 1653
Blocpdb> 22 atoms in block 84
Block first atom: 1678
Blocpdb> 20 atoms in block 85
Block first atom: 1700
Blocpdb> 25 atoms in block 86
Block first atom: 1720
Blocpdb> 26 atoms in block 87
Block first atom: 1745
Blocpdb> 18 atoms in block 88
Block first atom: 1771
Blocpdb> 12 atoms in block 89
Block first atom: 1789
Blocpdb> 16 atoms in block 90
Block first atom: 1801
Blocpdb> 26 atoms in block 91
Block first atom: 1817
Blocpdb> 26 atoms in block 92
Block first atom: 1843
Blocpdb> 26 atoms in block 93
Block first atom: 1869
Blocpdb> 26 atoms in block 94
Block first atom: 1895
Blocpdb> 34 atoms in block 95
Block first atom: 1921
Blocpdb> 22 atoms in block 96
Block first atom: 1955
Blocpdb> 18 atoms in block 97
Block first atom: 1977
Blocpdb> 15 atoms in block 98
Block first atom: 1995
Blocpdb> 15 atoms in block 99
Block first atom: 2010
Blocpdb> 22 atoms in block 100
Block first atom: 2025
Blocpdb> 14 atoms in block 101
Block first atom: 2047
Blocpdb> 22 atoms in block 102
Block first atom: 2061
Blocpdb> 19 atoms in block 103
Block first atom: 2083
Blocpdb> 17 atoms in block 104
Block first atom: 2102
Blocpdb> 16 atoms in block 105
Block first atom: 2119
Blocpdb> 19 atoms in block 106
Block first atom: 2135
Blocpdb> 14 atoms in block 107
Block first atom: 2154
Blocpdb> 16 atoms in block 108
Block first atom: 2168
Blocpdb> 26 atoms in block 109
Block first atom: 2184
Blocpdb> 21 atoms in block 110
Block first atom: 2210
Blocpdb> 14 atoms in block 111
Block first atom: 2231
Blocpdb> 27 atoms in block 112
Block first atom: 2245
Blocpdb> 24 atoms in block 113
Block first atom: 2272
Blocpdb> 31 atoms in block 114
Block first atom: 2296
Blocpdb> 35 atoms in block 115
Block first atom: 2327
Blocpdb> 23 atoms in block 116
Block first atom: 2362
Blocpdb> 20 atoms in block 117
Block first atom: 2385
Blocpdb> 24 atoms in block 118
Block first atom: 2405
Blocpdb> 26 atoms in block 119
Block first atom: 2429
Blocpdb> 15 atoms in block 120
Block first atom: 2455
Blocpdb> 15 atoms in block 121
Block first atom: 2469
Blocpdb> 121 blocks.
Blocpdb> At most, 35 atoms in each of them.
Blocpdb> At least, 11 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> 1185897 matrix lines read.
Prepmat> Matrix order = 7452
Prepmat> Matrix trace = 2606300.0000
Prepmat> Last element read: 7452 7452 113.8271
Prepmat> 7382 lines saved.
Prepmat> 6001 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: 2484
RTB> Total mass = 2484.0000
RTB> Number of atoms found in matrix: 2484
RTB> Number of blocks = 121
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 216261.8312
RTB> 47854 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 = 726
Diagstd> Nb of non-zero elements: 47854
Diagstd> Projected matrix trace = 216261.8312
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 726 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 216261.8312
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 2.8966051 4.8951738 6.2247375 7.9895159
10.3658131 11.4661511 13.6536404 13.9189816 14.6526914
16.2235174 16.5923224 18.5721425 18.9217236 20.2779291
21.9413243 22.8234169 23.1187897 24.1735468 24.6286209
26.2969462 27.3589496 27.6727347 30.8529145 32.9622847
33.6823042 34.6253349 36.2190887 37.4028211 37.8054538
39.0694135 40.3056103 42.8116816 43.3951960 44.6111657
45.6557271 48.3306716 49.4041478 50.2364866 51.4847785
51.9938532 53.1583859 53.7713471 54.5575607 55.5332863
55.7821629 57.3894157 58.8465975 59.4859642 61.7471326
62.5739226 63.2131200 63.9324578 64.9875707 65.6443602
66.5860270 68.1142884 68.4866216 69.3662261 70.4476051
71.1535819 71.5313113 72.6359093 73.6272156 74.8541595
75.6272467 76.0227579 77.6321415 78.1431387 80.0926585
81.5816758 81.9014554 82.1211166 84.8559693 85.3152214
85.7949345 86.6873693 88.1691449 89.1103111 90.1916427
90.4867763 91.7071235 92.6571292 93.2506427 93.9144048
95.8691571 96.7177367 97.4152444 98.2640566 100.9868395
102.5664522 103.3034173 104.2053471 104.4040269 105.7161809
106.7050047 107.9972841 109.9288749 110.9829951 111.4568307
114.0794221
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034325 0.0034332 0.0034338 0.0034350
0.0034352 184.8161543 240.2588190 270.9291922 306.9414315
349.6205625 367.7088732 401.2541247 405.1342970 415.6750727
437.3889328 442.3325196 467.9789128 472.3627342 488.9979972
508.6589592 518.7828520 522.1290145 533.9068198 538.9088643
556.8624566 567.9956246 571.2435635 603.1750632 623.4533074
630.2257982 638.9873665 653.5277595 664.1213777 667.6863656
678.7560695 689.4107180 710.5201910 715.3459246 725.2989791
733.7412112 754.9300197 763.2678797 769.6706210 779.1744527
783.0171642 791.7374224 796.2890407 802.0893547 809.2299867
811.0412724 822.6425742 833.0210173 837.5341670 853.3037958
858.9976398 863.3738559 868.2723686 875.4078396 879.8203240
886.1083550 896.2195066 898.6656712 904.4182426 911.4406563
915.9961832 918.4243161 925.4883774 931.7823263 939.5139859
944.3531325 946.8192749 956.7887569 959.9325223 971.8329841
980.8251454 982.7455592 984.0625471 1000.3143056 1003.0175715
1005.8335183 1011.0513005 1019.6558018 1025.0835405 1031.2843538
1032.9703085 1039.9125421 1045.2849569 1048.6273900 1052.3528597
1063.2483923 1067.9436621 1071.7876351 1076.4469332 1091.2585779
1099.7600689 1103.7040200 1108.5117033 1109.5679539 1116.5187304
1121.7282952 1128.5003478 1138.5475465 1143.9933522 1146.4328583
1159.8422809
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2484
Rtb_to_modes> Number of blocs = 121
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: 9.9860E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9958E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.897
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.895
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.225
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.990
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 11.47
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 13.65
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 13.92
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.65
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 16.59
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 18.57
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 20.28
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 22.82
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 24.17
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 24.63
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 26.30
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 27.36
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 27.67
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.85
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 32.96
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 34.63
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 36.22
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 37.40
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 37.81
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 40.31
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 42.81
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 43.40
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 44.61
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 45.66
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 48.33
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 49.40
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 50.24
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 51.48
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 51.99
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 53.16
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 53.77
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 54.56
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 55.53
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 55.78
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 57.39
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 58.85
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 59.49
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 61.75
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 62.57
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 63.21
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 63.93
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 64.99
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 65.64
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 66.59
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 68.11
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 68.49
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 69.37
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 70.45
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 71.15
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 71.53
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 72.64
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 73.63
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 74.85
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 75.63
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 76.02
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 77.63
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 78.14
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 80.09
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 81.58
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 81.90
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 82.12
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 84.86
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 85.32
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 85.79
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 86.69
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 88.17
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 89.11
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 90.19
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 90.49
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 91.71
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 92.66
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 93.25
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 93.91
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 95.87
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 96.72
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 97.42
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 98.26
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 101.0
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 102.6
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 104.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 104.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 106.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 111.0
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 111.5
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 114.1
Rtb_to_modes> 106 vectors, with 726 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 0.99999
0.99998 0.99999 0.99998 1.00004 1.00002
1.00001 1.00000 0.99999 0.99998 0.99998
0.99998 1.00004 1.00005 0.99998 0.99997
1.00000 0.99999 1.00000 0.99998 1.00001
0.99998 1.00000 1.00003 1.00004 1.00000
1.00000 1.00001 0.99999 1.00001 0.99999
0.99998 0.99999 1.00000 1.00004 1.00000
1.00003 0.99996 1.00000 0.99999 1.00003
1.00001 1.00000 0.99998 1.00000 1.00002
1.00000 0.99997 1.00001 0.99996 0.99998
1.00001 1.00000 1.00001 1.00001 0.99999
1.00002 0.99998 1.00001 1.00000 1.00000
1.00000 0.99999 1.00001 0.99997 1.00001
0.99999 1.00000 1.00000 0.99998 1.00000
1.00000 1.00001 1.00001 0.99999 1.00000
1.00000 1.00001 1.00000 1.00002 0.99996
0.99999 1.00000 0.99999 1.00000 1.00001
1.00003 0.99996 1.00000 0.99997 1.00002
1.00002 1.00000 1.00002 1.00000 1.00000
0.99999 0.99998 0.99997 1.00000 0.99999
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 44712 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 0.99999
0.99998 0.99999 0.99998 1.00004 1.00002
1.00001 1.00000 0.99999 0.99998 0.99998
0.99998 1.00004 1.00005 0.99998 0.99997
1.00000 0.99999 1.00000 0.99998 1.00001
0.99998 1.00000 1.00003 1.00004 1.00000
1.00000 1.00001 0.99999 1.00001 0.99999
0.99998 0.99999 1.00000 1.00004 1.00000
1.00003 0.99996 1.00000 0.99999 1.00003
1.00001 1.00000 0.99998 1.00000 1.00002
1.00000 0.99997 1.00001 0.99996 0.99998
1.00001 1.00000 1.00001 1.00001 0.99999
1.00002 0.99998 1.00001 1.00000 1.00000
1.00000 0.99999 1.00001 0.99997 1.00001
0.99999 1.00000 1.00000 0.99998 1.00000
1.00000 1.00001 1.00001 0.99999 1.00000
1.00000 1.00001 1.00000 1.00002 0.99996
0.99999 1.00000 0.99999 1.00000 1.00001
1.00003 0.99996 1.00000 0.99997 1.00002
1.00002 1.00000 1.00002 1.00000 1.00000
0.99999 0.99998 0.99997 1.00000 0.99999
0.99998
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> 2404082132133069958.eigenfacs
Openam> file on opening on unit 10:
2404082132133069958.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404082132133069958.atom
Openam> file on opening on unit 11:
2404082132133069958.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 = 242
First residue number = 1
Last residue number = 242
Number of atoms found = 2484
Mean number per residue = 10.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9860E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9958E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.897
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.225
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 11.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 13.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 13.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 18.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 20.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 22.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 24.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 24.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 26.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 27.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 32.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 34.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 36.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 37.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 37.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 40.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 42.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 43.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 44.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 45.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 48.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 49.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 50.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 51.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 51.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 53.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 53.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 54.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 55.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 55.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 57.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 58.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 59.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 61.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 62.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 63.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 63.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 64.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 65.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 66.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 68.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 68.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 69.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 70.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 71.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 71.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 72.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 73.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 74.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 75.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 76.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 77.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 78.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 80.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 81.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 81.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 82.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 84.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 85.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 85.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 86.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 88.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 89.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 90.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 90.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 91.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 92.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 93.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 93.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 95.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 96.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 97.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 98.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 101.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 102.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 104.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 104.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 106.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 111.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 111.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 114.1
Bfactors> 106 vectors, 7452 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 2.897000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.015 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.015
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404082132133069958 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=0
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=100
2404082132133069958.eigenfacs
2404082132133069958.atom
making animated gifs
11 models are in 2404082132133069958.7.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 2404082132133069958.7.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 2404082132133069958.7.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 2404082132133069958 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=0
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=100
2404082132133069958.eigenfacs
2404082132133069958.atom
making animated gifs
11 models are in 2404082132133069958.8.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 2404082132133069958.8.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 2404082132133069958.8.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 2404082132133069958 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=0
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=100
2404082132133069958.eigenfacs
2404082132133069958.atom
making animated gifs
11 models are in 2404082132133069958.9.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 2404082132133069958.9.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 2404082132133069958.9.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 2404082132133069958 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=0
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=100
2404082132133069958.eigenfacs
2404082132133069958.atom
making animated gifs
11 models are in 2404082132133069958.10.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 2404082132133069958.10.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 2404082132133069958.10.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 2404082132133069958 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=-20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=0
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=20
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=40
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=60
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=80
2404082132133069958.eigenfacs
2404082132133069958.atom
calculating perturbed structure for DQ=100
2404082132133069958.eigenfacs
2404082132133069958.atom
making animated gifs
11 models are in 2404082132133069958.11.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 2404082132133069958.11.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 2404082132133069958.11.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
2404082132133069958.10.pdb
2404082132133069958.11.pdb
2404082132133069958.7.pdb
2404082132133069958.8.pdb
2404082132133069958.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.924s
user 0m7.884s
sys 0m0.040s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404082132133069958.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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: April 25th, 2023.
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