*** ***
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 = 2403111023092772974.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 2403111023092772974.atom to be opened.
Openam> File opened: 2403111023092772974.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 = 405
First residue number = 1
Last residue number = 405
Number of atoms found = 6658
Mean number per residue = 16.4
Pdbmat> Coordinate statistics:
= 105.625097 +/- 18.589553 From: 63.910000 To: 141.773000
= 106.800551 +/- 12.919322 From: 78.162000 To: 142.603000
= 110.184488 +/- 8.340381 From: 88.222000 To: 135.380000
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 2.8309 % Filled.
Pdbmat> 5647354 non-zero elements.
Pdbmat> 623144 atom-atom interactions.
Pdbmat> Number per atom= 187.19 +/- 61.96
Maximum number = 322
Minimum number = 20
Pdbmat> Matrix trace = 1.246288E+07
Pdbmat> Larger element = 1095.33
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
405 non-zero elements, NRBL set to 3
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 = 2403111023092772974.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2403111023092772974.atom to be opened.
Openam> file on opening on unit 11:
2403111023092772974.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6658 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 405 residues.
Blocpdb> 50 atoms in block 1
Block first atom: 1
Blocpdb> 44 atoms in block 2
Block first atom: 51
Blocpdb> 50 atoms in block 3
Block first atom: 95
Blocpdb> 50 atoms in block 4
Block first atom: 145
Blocpdb> 44 atoms in block 5
Block first atom: 195
Blocpdb> 65 atoms in block 6
Block first atom: 239
Blocpdb> 55 atoms in block 7
Block first atom: 304
Blocpdb> 42 atoms in block 8
Block first atom: 359
Blocpdb> 56 atoms in block 9
Block first atom: 401
Blocpdb> 49 atoms in block 10
Block first atom: 457
Blocpdb> 48 atoms in block 11
Block first atom: 506
Blocpdb> 36 atoms in block 12
Block first atom: 554
Blocpdb> 57 atoms in block 13
Block first atom: 590
Blocpdb> 35 atoms in block 14
Block first atom: 647
Blocpdb> 49 atoms in block 15
Block first atom: 682
Blocpdb> 46 atoms in block 16
Block first atom: 731
Blocpdb> 46 atoms in block 17
Block first atom: 777
Blocpdb> 54 atoms in block 18
Block first atom: 823
Blocpdb> 50 atoms in block 19
Block first atom: 877
Blocpdb> 52 atoms in block 20
Block first atom: 927
Blocpdb> 40 atoms in block 21
Block first atom: 979
Blocpdb> 44 atoms in block 22
Block first atom: 1019
Blocpdb> 39 atoms in block 23
Block first atom: 1063
Blocpdb> 59 atoms in block 24
Block first atom: 1102
Blocpdb> 37 atoms in block 25
Block first atom: 1161
Blocpdb> 51 atoms in block 26
Block first atom: 1198
Blocpdb> 51 atoms in block 27
Block first atom: 1249
Blocpdb> 52 atoms in block 28
Block first atom: 1300
Blocpdb> 65 atoms in block 29
Block first atom: 1352
Blocpdb> 48 atoms in block 30
Block first atom: 1417
Blocpdb> 39 atoms in block 31
Block first atom: 1465
Blocpdb> 40 atoms in block 32
Block first atom: 1504
Blocpdb> 58 atoms in block 33
Block first atom: 1544
Blocpdb> 47 atoms in block 34
Block first atom: 1602
Blocpdb> 52 atoms in block 35
Block first atom: 1649
Blocpdb> 45 atoms in block 36
Block first atom: 1701
Blocpdb> 38 atoms in block 37
Block first atom: 1746
Blocpdb> 52 atoms in block 38
Block first atom: 1784
Blocpdb> 43 atoms in block 39
Block first atom: 1836
Blocpdb> 48 atoms in block 40
Block first atom: 1879
Blocpdb> 35 atoms in block 41
Block first atom: 1927
Blocpdb> 50 atoms in block 42
Block first atom: 1962
Blocpdb> 51 atoms in block 43
Block first atom: 2012
Blocpdb> 51 atoms in block 44
Block first atom: 2063
Blocpdb> 44 atoms in block 45
Block first atom: 2114
Blocpdb> 49 atoms in block 46
Block first atom: 2158
Blocpdb> 28 atoms in block 47
Block first atom: 2207
Blocpdb> 32 atoms in block 48
Block first atom: 2235
Blocpdb> 44 atoms in block 49
Block first atom: 2267
Blocpdb> 47 atoms in block 50
Block first atom: 2311
Blocpdb> 52 atoms in block 51
Block first atom: 2358
Blocpdb> 45 atoms in block 52
Block first atom: 2410
Blocpdb> 48 atoms in block 53
Block first atom: 2455
Blocpdb> 31 atoms in block 54
Block first atom: 2503
Blocpdb> 60 atoms in block 55
Block first atom: 2534
Blocpdb> 48 atoms in block 56
Block first atom: 2594
Blocpdb> 37 atoms in block 57
Block first atom: 2642
Blocpdb> 55 atoms in block 58
Block first atom: 2679
Blocpdb> 50 atoms in block 59
Block first atom: 2734
Blocpdb> 54 atoms in block 60
Block first atom: 2784
Blocpdb> 48 atoms in block 61
Block first atom: 2838
Blocpdb> 58 atoms in block 62
Block first atom: 2886
Blocpdb> 52 atoms in block 63
Block first atom: 2944
Blocpdb> 25 atoms in block 64
Block first atom: 2996
Blocpdb> 58 atoms in block 65
Block first atom: 3021
Blocpdb> 50 atoms in block 66
Block first atom: 3079
Blocpdb> 65 atoms in block 67
Block first atom: 3129
Blocpdb> 60 atoms in block 68
Block first atom: 3194
Blocpdb> 65 atoms in block 69
Block first atom: 3254
Blocpdb> 60 atoms in block 70
Block first atom: 3319
Blocpdb> 53 atoms in block 71
Block first atom: 3379
Blocpdb> 50 atoms in block 72
Block first atom: 3432
Blocpdb> 40 atoms in block 73
Block first atom: 3482
Blocpdb> 42 atoms in block 74
Block first atom: 3522
Blocpdb> 58 atoms in block 75
Block first atom: 3564
Blocpdb> 41 atoms in block 76
Block first atom: 3622
Blocpdb> 53 atoms in block 77
Block first atom: 3663
Blocpdb> 52 atoms in block 78
Block first atom: 3716
Blocpdb> 53 atoms in block 79
Block first atom: 3768
Blocpdb> 42 atoms in block 80
Block first atom: 3821
Blocpdb> 57 atoms in block 81
Block first atom: 3863
Blocpdb> 43 atoms in block 82
Block first atom: 3920
Blocpdb> 51 atoms in block 83
Block first atom: 3963
Blocpdb> 46 atoms in block 84
Block first atom: 4014
Blocpdb> 45 atoms in block 85
Block first atom: 4060
Blocpdb> 45 atoms in block 86
Block first atom: 4105
Blocpdb> 45 atoms in block 87
Block first atom: 4150
Blocpdb> 53 atoms in block 88
Block first atom: 4195
Blocpdb> 51 atoms in block 89
Block first atom: 4248
Blocpdb> 52 atoms in block 90
Block first atom: 4299
Blocpdb> 67 atoms in block 91
Block first atom: 4351
Blocpdb> 60 atoms in block 92
Block first atom: 4418
Blocpdb> 47 atoms in block 93
Block first atom: 4478
Blocpdb> 52 atoms in block 94
Block first atom: 4525
Blocpdb> 36 atoms in block 95
Block first atom: 4577
Blocpdb> 49 atoms in block 96
Block first atom: 4613
Blocpdb> 48 atoms in block 97
Block first atom: 4662
Blocpdb> 51 atoms in block 98
Block first atom: 4710
Blocpdb> 56 atoms in block 99
Block first atom: 4761
Blocpdb> 60 atoms in block 100
Block first atom: 4817
Blocpdb> 53 atoms in block 101
Block first atom: 4877
Blocpdb> 59 atoms in block 102
Block first atom: 4930
Blocpdb> 57 atoms in block 103
Block first atom: 4989
Blocpdb> 58 atoms in block 104
Block first atom: 5046
Blocpdb> 52 atoms in block 105
Block first atom: 5104
Blocpdb> 49 atoms in block 106
Block first atom: 5156
Blocpdb> 36 atoms in block 107
Block first atom: 5205
Blocpdb> 50 atoms in block 108
Block first atom: 5241
Blocpdb> 47 atoms in block 109
Block first atom: 5291
Blocpdb> 63 atoms in block 110
Block first atom: 5338
Blocpdb> 43 atoms in block 111
Block first atom: 5401
Blocpdb> 44 atoms in block 112
Block first atom: 5444
Blocpdb> 62 atoms in block 113
Block first atom: 5488
Blocpdb> 52 atoms in block 114
Block first atom: 5550
Blocpdb> 47 atoms in block 115
Block first atom: 5602
Blocpdb> 60 atoms in block 116
Block first atom: 5649
Blocpdb> 50 atoms in block 117
Block first atom: 5709
Blocpdb> 55 atoms in block 118
Block first atom: 5759
Blocpdb> 43 atoms in block 119
Block first atom: 5814
Blocpdb> 59 atoms in block 120
Block first atom: 5857
Blocpdb> 57 atoms in block 121
Block first atom: 5916
Blocpdb> 60 atoms in block 122
Block first atom: 5973
Blocpdb> 38 atoms in block 123
Block first atom: 6033
Blocpdb> 51 atoms in block 124
Block first atom: 6071
Blocpdb> 58 atoms in block 125
Block first atom: 6122
Blocpdb> 36 atoms in block 126
Block first atom: 6180
Blocpdb> 53 atoms in block 127
Block first atom: 6216
Blocpdb> 51 atoms in block 128
Block first atom: 6269
Blocpdb> 48 atoms in block 129
Block first atom: 6320
Blocpdb> 53 atoms in block 130
Block first atom: 6368
Blocpdb> 49 atoms in block 131
Block first atom: 6421
Blocpdb> 44 atoms in block 132
Block first atom: 6470
Blocpdb> 55 atoms in block 133
Block first atom: 6514
Blocpdb> 39 atoms in block 134
Block first atom: 6569
Blocpdb> 51 atoms in block 135
Block first atom: 6607
Blocpdb> 135 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 25 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> 5647489 matrix lines read.
Prepmat> Matrix order = 19974
Prepmat> Matrix trace = 12462880.0000
Prepmat> Last element read: 19974 19974 585.1451
Prepmat> 9181 lines saved.
Prepmat> 7514 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: 6658
RTB> Total mass = 6658.0000
RTB> Number of atoms found in matrix: 6658
RTB> Number of blocks = 135
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 410276.3538
RTB> 57951 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 = 810
Diagstd> Nb of non-zero elements: 57951
Diagstd> Projected matrix trace = 410276.3538
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 810 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 410276.3538
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 1.3221554 1.9045965 3.8340353 10.0519179
11.3661128 13.1764595 16.1648984 19.9553994 24.1548423
29.7618355 30.7823942 32.8120065 36.2521848 38.4070252
39.1494131 41.8220374 43.0609602 45.5513955 47.8752092
49.4790329 51.7489826 53.1497677 55.7850580 59.9543166
61.1980995 66.5889614 68.4080085 72.4769497 73.7962604
74.6335529 75.8440075 76.9313278 78.9729187 79.4453351
81.4413066 83.1341199 84.0841956 86.3072045 88.5199604
88.8844197 90.4483654 94.7233906 95.6720276 96.5242479
98.9891072 100.7192165 103.5080585 104.0753845 106.7616866
108.4488135 109.6822826 111.2339422 111.8185324 113.9553625
115.0470599 116.3950291 119.1025628 121.2983489 123.7240124
124.2778369 126.3551646 128.2345236 129.5848534 130.8814218
131.5387754 134.2598783 136.3994615 137.4076070 137.5685375
139.0669011 140.6160914 141.8516084 144.3888971 145.9612703
147.9674101 150.1242098 151.7551188 153.4702595 154.6167800
157.5087072 159.2055536 160.2106089 161.7384446 163.1646378
164.2165170 165.6676316 166.3180122 168.5656914 170.2252959
171.5578411 173.4388893 175.8111072 177.3652075 179.1923095
180.3886002 181.9778414 183.2390197 185.6014385 186.8095291
187.6980136
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034296 0.0034310 0.0034317 0.0034336 0.0034350
0.0034378 124.8637955 149.8638110 212.6294104 344.2863040
366.1012917 394.1800556 436.5980276 485.0935416 533.7002222
592.4137586 602.4853316 622.0304921 653.8262798 672.9776098
679.4506340 702.2599045 712.5857532 732.9023655 751.3644144
763.8461284 781.1711364 791.6732404 811.0623187 840.8247922
849.5016913 886.1278803 898.1497515 924.4751330 932.8513782
938.1285189 945.7055039 952.4603259 965.0156909 967.8977511
979.9809797 990.1133861 995.7549344 1008.8318972 1021.6823382
1023.7834411 1032.7510415 1056.8756643 1062.1546856 1066.8748893
1080.4109667 1089.8116588 1104.7966826 1107.8202318 1122.0261877
1130.8569793 1137.2698355 1145.2859815 1148.2915640 1159.2114543
1164.7508675 1171.5545012 1185.1022797 1195.9767171 1207.8757943
1210.5761770 1220.6517532 1229.6960034 1236.1534952 1242.3223041
1245.4381861 1258.2542469 1268.2404715 1272.9187053 1273.6639026
1280.5813390 1287.6943534 1293.3391156 1304.8547770 1311.9403745
1320.9254763 1330.5176730 1337.7253430 1345.2636084 1350.2792460
1362.8484473 1370.1697869 1374.4878834 1381.0261795 1387.1016900
1391.5656458 1397.7004729 1400.4413428 1409.8726097 1416.7960232
1422.3306424 1430.1069662 1439.8539257 1446.2037918 1453.6336361
1458.4778053 1464.8883827 1469.9557457 1479.4011406 1484.2080854
1487.7334185
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6658
Rtb_to_modes> Number of blocs = 135
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: 9.9747E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9825E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9866E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0022E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.322
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.905
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.834
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 10.05
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.37
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 13.18
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.16
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 19.96
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 24.15
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 29.76
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 30.78
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 32.81
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 36.25
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 38.41
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 39.15
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 41.82
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 43.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 45.55
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 47.88
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 49.48
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 51.75
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 53.15
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 55.79
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 59.95
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 61.20
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 66.59
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 68.41
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 72.48
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 73.80
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 74.63
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 75.84
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 78.97
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 79.45
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 81.44
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 83.13
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 84.08
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 86.31
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 88.52
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 88.88
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 90.45
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 94.72
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 95.67
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 96.52
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 98.99
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 100.7
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 103.5
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 104.1
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 106.8
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 108.4
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 109.7
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 111.2
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 111.8
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 114.0
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 115.0
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 116.4
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 121.3
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 123.7
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 124.3
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 126.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 128.2
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 129.6
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 130.9
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 131.5
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 134.3
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 136.4
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 137.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 137.6
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 139.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 140.6
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 141.9
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 144.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 146.0
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 148.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 150.1
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 151.8
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 153.5
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 154.6
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 157.5
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 159.2
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 160.2
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 161.7
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 163.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 164.2
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 165.7
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 166.3
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 168.6
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 170.2
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 171.6
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 173.4
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 175.8
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 177.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 179.2
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 180.4
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 182.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 183.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 185.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 186.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 187.7
Rtb_to_modes> 106 vectors, with 810 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00000 1.00000 0.99997
0.99999 1.00001 1.00002 1.00001 1.00002
0.99999 1.00002 0.99999 0.99998 1.00001
1.00000 1.00000 1.00001 0.99995 1.00002
0.99998 1.00002 1.00001 1.00000 1.00001
0.99999 0.99997 1.00000 1.00000 1.00001
1.00001 1.00000 1.00001 1.00000 0.99998
0.99999 0.99999 0.99998 0.99998 1.00000
1.00002 1.00001 1.00000 0.99999 1.00001
1.00002 1.00002 1.00002 1.00001 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99996 1.00000 1.00001 1.00002 1.00001
1.00001 1.00001 0.99999 1.00002 1.00000
1.00001 0.99999 1.00000 1.00000 1.00001
0.99998 1.00000 0.99998 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 0.99996
0.99999 0.99999 1.00002 1.00000 1.00000
0.99999 1.00002 0.99998 1.00000 1.00000
1.00001 0.99999 1.00003 1.00001 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00003 1.00000 1.00002
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 119844 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00000 1.00000 0.99997
0.99999 1.00001 1.00002 1.00001 1.00002
0.99999 1.00002 0.99999 0.99998 1.00001
1.00000 1.00000 1.00001 0.99995 1.00002
0.99998 1.00002 1.00001 1.00000 1.00001
0.99999 0.99997 1.00000 1.00000 1.00001
1.00001 1.00000 1.00001 1.00000 0.99998
0.99999 0.99999 0.99998 0.99998 1.00000
1.00002 1.00001 1.00000 0.99999 1.00001
1.00002 1.00002 1.00002 1.00001 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99996 1.00000 1.00001 1.00002 1.00001
1.00001 1.00001 0.99999 1.00002 1.00000
1.00001 0.99999 1.00000 1.00000 1.00001
0.99998 1.00000 0.99998 1.00001 1.00002
0.99998 1.00000 1.00000 1.00000 0.99996
0.99999 0.99999 1.00002 1.00000 1.00000
0.99999 1.00002 0.99998 1.00000 1.00000
1.00001 0.99999 1.00003 1.00001 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00003 1.00000 1.00002
1.00003
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000-0.000 0.000-0.000 0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000-0.000
Vector 8: 0.000 0.000-0.000 0.000 0.000-0.000 0.000
Vector 9: 0.000-0.000 0.000 0.000 0.000 0.000 0.000 0.000
Vector 10:-0.000-0.000 0.000 0.000-0.000 0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403111023092772974.eigenfacs
Openam> file on opening on unit 10:
2403111023092772974.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403111023092772974.atom
Openam> file on opening on unit 11:
2403111023092772974.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 = 405
First residue number = 1
Last residue number = 405
Number of atoms found = 6658
Mean number per residue = 16.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9747E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9825E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9866E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-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: 1.0022E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.834
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 10.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 13.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 19.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 24.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 29.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 30.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 32.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 36.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 38.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 39.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 41.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 43.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 45.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 47.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 49.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 51.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 53.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 55.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 59.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 61.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 66.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 68.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 72.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 73.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 74.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 75.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 78.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 79.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 81.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 83.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 84.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 86.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 88.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 88.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 90.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 94.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 95.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 96.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 98.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 100.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 103.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 104.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 106.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 108.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 109.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 111.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 114.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 115.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 116.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 121.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 123.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 124.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 126.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 128.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 129.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 130.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 131.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 134.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 136.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 137.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 137.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 139.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 140.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 141.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 144.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 146.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 148.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 150.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 151.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 153.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 154.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 157.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 159.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 160.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 161.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 163.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 164.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 166.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 168.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 170.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 171.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 173.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 175.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 177.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 179.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 180.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 182.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 183.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 185.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 186.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 187.7
Bfactors> 106 vectors, 19974 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 : 1.322000
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> = 0.006 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.006
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 2403111023092772974 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=0
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=100
2403111023092772974.eigenfacs
2403111023092772974.atom
making animated gifs
11 models are in 2403111023092772974.7.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 2403111023092772974.7.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 2403111023092772974.7.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 2403111023092772974 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=0
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=100
2403111023092772974.eigenfacs
2403111023092772974.atom
making animated gifs
11 models are in 2403111023092772974.8.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 2403111023092772974.8.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 2403111023092772974.8.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 2403111023092772974 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=0
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=100
2403111023092772974.eigenfacs
2403111023092772974.atom
making animated gifs
11 models are in 2403111023092772974.9.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 2403111023092772974.9.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 2403111023092772974.9.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 2403111023092772974 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=0
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=100
2403111023092772974.eigenfacs
2403111023092772974.atom
making animated gifs
11 models are in 2403111023092772974.10.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 2403111023092772974.10.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 2403111023092772974.10.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 2403111023092772974 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=-20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=0
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=20
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=40
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=60
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=80
2403111023092772974.eigenfacs
2403111023092772974.atom
calculating perturbed structure for DQ=100
2403111023092772974.eigenfacs
2403111023092772974.atom
making animated gifs
11 models are in 2403111023092772974.11.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 2403111023092772974.11.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 2403111023092772974.11.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
2403111023092772974.10.pdb
2403111023092772974.11.pdb
2403111023092772974.7.pdb
2403111023092772974.8.pdb
2403111023092772974.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.725s
user 0m24.500s
sys 0m0.188s
../../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: 2403111023092772974.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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