CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***  FXIa WT  ***

LOGs for ID: 2602060425492843205

Output from eigenvector calculation:


STDOUT:
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 = 2602060425492843205.atom Pdbmat> Distance cutoff = 15.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2602060425492843205.atom to be opened. Openam> File opened: 2602060425492843205.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 3741 Mean number per residue = 15.7 Pdbmat> Coordinate statistics: = -1.065520 +/- 10.062157 From: -26.255000 To: 22.605000 = -0.059434 +/- 9.351784 From: -20.269000 To: 21.662000 = -0.495196 +/- 10.058477 From: -28.051000 To: 22.314000 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 21.3966 % Filled. Pdbmat> 13476297 non-zero elements. Pdbmat> 1495004 atom-atom interactions. Pdbmat> Number per atom= 799.25 +/- 286.42 Maximum number = 1451 Minimum number = 139 Pdbmat> Matrix trace = 2.990008E+07 Pdbmat> Larger element = 5095.84 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 238 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 = 2602060425492843205.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 2602060425492843205.atom to be opened. Openam> file on opening on unit 11: 2602060425492843205.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 3741 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> 238 residues. Blocpdb> 37 atoms in block 1 Block first atom: 1 Blocpdb> 14 atoms in block 2 Block first atom: 38 Blocpdb> 24 atoms in block 3 Block first atom: 52 Blocpdb> 27 atoms in block 4 Block first atom: 76 Blocpdb> 31 atoms in block 5 Block first atom: 103 Blocpdb> 39 atoms in block 6 Block first atom: 134 Blocpdb> 38 atoms in block 7 Block first atom: 173 Blocpdb> 33 atoms in block 8 Block first atom: 211 Blocpdb> 33 atoms in block 9 Block first atom: 244 Blocpdb> 31 atoms in block 10 Block first atom: 277 Blocpdb> 25 atoms in block 11 Block first atom: 308 Blocpdb> 28 atoms in block 12 Block first atom: 333 Blocpdb> 41 atoms in block 13 Block first atom: 361 Blocpdb> 36 atoms in block 14 Block first atom: 402 Blocpdb> 17 atoms in block 15 Block first atom: 438 Blocpdb> 18 atoms in block 16 Block first atom: 455 Blocpdb> 38 atoms in block 17 Block first atom: 473 Blocpdb> 21 atoms in block 18 Block first atom: 511 Blocpdb> 41 atoms in block 19 Block first atom: 532 Blocpdb> 38 atoms in block 20 Block first atom: 573 Blocpdb> 24 atoms in block 21 Block first atom: 611 Blocpdb> 27 atoms in block 22 Block first atom: 635 Blocpdb> 30 atoms in block 23 Block first atom: 662 Blocpdb> 28 atoms in block 24 Block first atom: 692 Blocpdb> 31 atoms in block 25 Block first atom: 720 Blocpdb> 25 atoms in block 26 Block first atom: 751 Blocpdb> 41 atoms in block 27 Block first atom: 776 Blocpdb> 43 atoms in block 28 Block first atom: 817 Blocpdb> 37 atoms in block 29 Block first atom: 860 Blocpdb> 18 atoms in block 30 Block first atom: 897 Blocpdb> 38 atoms in block 31 Block first atom: 915 Blocpdb> 31 atoms in block 32 Block first atom: 953 Blocpdb> 26 atoms in block 33 Block first atom: 984 Blocpdb> 41 atoms in block 34 Block first atom: 1010 Blocpdb> 27 atoms in block 35 Block first atom: 1051 Blocpdb> 25 atoms in block 36 Block first atom: 1078 Blocpdb> 40 atoms in block 37 Block first atom: 1103 Blocpdb> 23 atoms in block 38 Block first atom: 1143 Blocpdb> 32 atoms in block 39 Block first atom: 1166 Blocpdb> 38 atoms in block 40 Block first atom: 1198 Blocpdb> 36 atoms in block 41 Block first atom: 1236 Blocpdb> 29 atoms in block 42 Block first atom: 1272 Blocpdb> 43 atoms in block 43 Block first atom: 1301 Blocpdb> 27 atoms in block 44 Block first atom: 1344 Blocpdb> 26 atoms in block 45 Block first atom: 1371 Blocpdb> 28 atoms in block 46 Block first atom: 1397 Blocpdb> 31 atoms in block 47 Block first atom: 1425 Blocpdb> 29 atoms in block 48 Block first atom: 1456 Blocpdb> 41 atoms in block 49 Block first atom: 1485 Blocpdb> 34 atoms in block 50 Block first atom: 1526 Blocpdb> 28 atoms in block 51 Block first atom: 1560 Blocpdb> 30 atoms in block 52 Block first atom: 1588 Blocpdb> 35 atoms in block 53 Block first atom: 1618 Blocpdb> 23 atoms in block 54 Block first atom: 1653 Blocpdb> 41 atoms in block 55 Block first atom: 1676 Blocpdb> 33 atoms in block 56 Block first atom: 1717 Blocpdb> 30 atoms in block 57 Block first atom: 1750 Blocpdb> 25 atoms in block 58 Block first atom: 1780 Blocpdb> 29 atoms in block 59 Block first atom: 1805 Blocpdb> 36 atoms in block 60 Block first atom: 1834 Blocpdb> 30 atoms in block 61 Block first atom: 1870 Blocpdb> 40 atoms in block 62 Block first atom: 1900 Blocpdb> 26 atoms in block 63 Block first atom: 1940 Blocpdb> 34 atoms in block 64 Block first atom: 1966 Blocpdb> 30 atoms in block 65 Block first atom: 2000 Blocpdb> 31 atoms in block 66 Block first atom: 2030 Blocpdb> 28 atoms in block 67 Block first atom: 2061 Blocpdb> 46 atoms in block 68 Block first atom: 2089 Blocpdb> 43 atoms in block 69 Block first atom: 2135 Blocpdb> 34 atoms in block 70 Block first atom: 2178 Blocpdb> 36 atoms in block 71 Block first atom: 2212 Blocpdb> 28 atoms in block 72 Block first atom: 2248 Blocpdb> 36 atoms in block 73 Block first atom: 2276 Blocpdb> 32 atoms in block 74 Block first atom: 2312 Blocpdb> 41 atoms in block 75 Block first atom: 2344 Blocpdb> 33 atoms in block 76 Block first atom: 2385 Blocpdb> 30 atoms in block 77 Block first atom: 2418 Blocpdb> 29 atoms in block 78 Block first atom: 2448 Blocpdb> 25 atoms in block 79 Block first atom: 2477 Blocpdb> 39 atoms in block 80 Block first atom: 2502 Blocpdb> 45 atoms in block 81 Block first atom: 2541 Blocpdb> 31 atoms in block 82 Block first atom: 2586 Blocpdb> 39 atoms in block 83 Block first atom: 2617 Blocpdb> 33 atoms in block 84 Block first atom: 2656 Blocpdb> 39 atoms in block 85 Block first atom: 2689 Blocpdb> 36 atoms in block 86 Block first atom: 2728 Blocpdb> 20 atoms in block 87 Block first atom: 2764 Blocpdb> 28 atoms in block 88 Block first atom: 2784 Blocpdb> 39 atoms in block 89 Block first atom: 2812 Blocpdb> 14 atoms in block 90 Block first atom: 2851 Blocpdb> 34 atoms in block 91 Block first atom: 2865 Blocpdb> 20 atoms in block 92 Block first atom: 2899 Blocpdb> 29 atoms in block 93 Block first atom: 2919 Blocpdb> 23 atoms in block 94 Block first atom: 2948 Blocpdb> 14 atoms in block 95 Block first atom: 2971 Blocpdb> 33 atoms in block 96 Block first atom: 2985 Blocpdb> 21 atoms in block 97 Block first atom: 3018 Blocpdb> 39 atoms in block 98 Block first atom: 3039 Blocpdb> 29 atoms in block 99 Block first atom: 3078 Blocpdb> 40 atoms in block 100 Block first atom: 3107 Blocpdb> 36 atoms in block 101 Block first atom: 3147 Blocpdb> 23 atoms in block 102 Block first atom: 3183 Blocpdb> 33 atoms in block 103 Block first atom: 3206 Blocpdb> 35 atoms in block 104 Block first atom: 3239 Blocpdb> 22 atoms in block 105 Block first atom: 3274 Blocpdb> 17 atoms in block 106 Block first atom: 3296 Blocpdb> 27 atoms in block 107 Block first atom: 3313 Blocpdb> 39 atoms in block 108 Block first atom: 3340 Blocpdb> 38 atoms in block 109 Block first atom: 3379 Blocpdb> 23 atoms in block 110 Block first atom: 3417 Blocpdb> 35 atoms in block 111 Block first atom: 3440 Blocpdb> 30 atoms in block 112 Block first atom: 3475 Blocpdb> 31 atoms in block 113 Block first atom: 3505 Blocpdb> 37 atoms in block 114 Block first atom: 3536 Blocpdb> 36 atoms in block 115 Block first atom: 3573 Blocpdb> 38 atoms in block 116 Block first atom: 3609 Blocpdb> 37 atoms in block 117 Block first atom: 3647 Blocpdb> 31 atoms in block 118 Block first atom: 3684 Blocpdb> 27 atoms in block 119 Block first atom: 3714 Blocpdb> 119 blocks. Blocpdb> At most, 46 atoms in each of them. Blocpdb> At least, 14 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> 13476416 matrix lines read. Prepmat> Matrix order = 11223 Prepmat> Matrix trace = 29900080.0000 Prepmat> Last element read: 11223 11223 1005.7377 Prepmat> 7141 lines saved. Prepmat> 3555 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: 3741 RTB> Total mass = 3741.0000 RTB> Number of atoms found in matrix: 3741 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 1852447.2956 RTB> 127275 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 = 714 Diagstd> Nb of non-zero elements: 127275 Diagstd> Projected matrix trace = 1852447.2956 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 714 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues =1852447.2956 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 188.5297569 209.2026715 240.8580712 286.4170237 312.3470004 362.0685286 389.7882590 401.7674271 459.7012304 465.7750088 479.5704475 507.1802398 520.4127567 537.4506646 549.5573840 569.0190535 600.4204881 612.6117563 623.1808560 633.6561891 642.5975881 646.7783886 654.2249011 659.8840326 671.3025879 682.2359008 711.2917753 717.3480617 723.2488040 731.4657940 748.0753246 763.9190469 773.1472568 790.1635214 799.2372035 810.9838200 820.6744778 840.2281259 850.6936715 864.1285385 878.1692337 892.0894264 895.5402494 900.5952499 915.8286941 924.9925642 942.4400701 946.0133386 962.7610315 967.8365344 984.7652651 990.0357715 998.8920514 1015.6198537 1019.9871388 1039.7751795 1041.2039496 1061.7126724 1068.5913873 1081.8109406 1088.0249589 1095.5075134 1102.8608977 1120.4280425 1128.6930695 1136.6450305 1147.5771732 1163.3478962 1171.6936883 1179.7359114 1182.0183332 1197.5336888 1200.8400059 1218.6979266 1229.3893600 1234.0963484 1241.6898114 1247.4564042 1254.6102941 1268.2410906 1276.0036386 1278.4886620 1289.7922927 1302.4411129 1312.3720303 1322.0568116 1326.8425741 1332.9152512 1343.6501902 1349.4373328 1354.6145972 1369.6822606 1374.7078933 1377.7842112 1392.3345045 1399.1144882 1402.3560618 1402.9869546 1408.8478374 1410.1144799 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034313 0.0034315 0.0034316 0.0034340 0.0034360 0.0034401 1491.0260599 1570.6481002 1685.2948063 1837.7849642 1919.1722265 2066.2871212 2143.9253376 2176.6201342 2328.2687727 2343.5993648 2378.0527650 2445.5494148 2477.2466348 2517.4716144 2545.6682385 2590.3514085 2660.8661695 2687.7442640 2710.8303044 2733.5191505 2752.7376688 2761.6779363 2777.5303641 2789.5174989 2813.5487270 2836.3679209 2896.1374783 2908.4409105 2920.3784991 2936.9211794 2970.0786171 3001.3659381 3019.4399018 3052.4866158 3069.9628923 3092.4406620 3110.8619863 3147.7040134 3167.2466195 3192.1585529 3217.9877692 3243.3922616 3249.6593295 3258.8179985 3286.2636533 3302.6640648 3333.6665068 3339.9803383 3369.4152103 3378.2850110 3407.7022507 3416.8091668 3432.0575284 3460.6754436 3468.1081180 3501.5876620 3503.9926272 3538.3336349 3549.7773585 3571.6670304 3581.9103286 3594.2059641 3606.2484990 3634.8564596 3648.2383933 3661.0672713 3678.6310374 3703.8218097 3717.0835716 3729.8183398 3733.4246152 3757.8474866 3763.0315042 3790.9086246 3807.5008181 3814.7827831 3826.5010696 3835.3761981 3846.3579983 3867.1960574 3879.0130141 3882.7883755 3899.9152465 3918.9915640 3933.9040520 3948.3926912 3955.5327021 3964.5741858 3980.5069747 3989.0698474 3996.7147739 4018.8814532 4026.2477342 4030.7501803 4051.9779485 4061.8315366 4066.5341926 4067.4488172 4075.9357088 4077.7675580 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 3741 Rtb_to_modes> Number of blocs = 119 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: 9.9848E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9855E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9865E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0012E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0036E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 188.5 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 209.2 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 240.9 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 286.4 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 312.3 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 362.1 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 389.8 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 401.8 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 459.7 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 465.8 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 479.6 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 507.2 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 520.4 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 537.5 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 549.6 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 569.0 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 600.4 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 612.6 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 623.2 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 633.7 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 642.6 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 646.8 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 654.2 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 659.9 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 671.3 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 682.2 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 711.3 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 717.3 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 723.2 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 731.5 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 748.1 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 763.9 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 773.1 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 790.2 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 799.2 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 811.0 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 820.7 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 840.2 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 850.7 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 864.1 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 878.2 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 892.1 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 895.5 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 900.6 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 915.8 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 925.0 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 942.4 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 946.0 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 962.8 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 967.8 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 984.8 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 990.0 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 998.9 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 1016. Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 1020. Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 1040. Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 1041. Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 1062. Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 1069. Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 1082. Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 1088. Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 1096. Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 1103. Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 1120. Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 1129. Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 1137. Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 1148. Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 1163. Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 1172. Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 1180. Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 1182. Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 1198. Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 1201. Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 1219. Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 1229. Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 1234. Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 1242. Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 1247. Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 1255. Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 1268. Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 1276. Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 1278. Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 1290. Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 1302. Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 1312. Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 1322. Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 1327. Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 1333. Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 1344. Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 1349. Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 1355. Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 1370. Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 1375. Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 1378. Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 1392. Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 1399. Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 1402. Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 1403. Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 1409. Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 1410. Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99998 0.99998 1.00001 0.99999 1.00000 1.00000 1.00000 1.00001 0.99999 1.00004 0.99999 0.99999 1.00003 0.99998 0.99999 0.99998 1.00001 1.00001 1.00001 1.00001 0.99999 0.99995 1.00001 1.00000 0.99998 1.00000 0.99999 0.99995 1.00002 1.00004 1.00000 0.99998 1.00002 1.00001 0.99999 1.00001 1.00003 1.00000 0.99999 1.00002 1.00002 1.00000 0.99998 0.99998 0.99994 1.00000 0.99998 0.99997 0.99998 1.00000 1.00000 1.00002 1.00001 1.00000 1.00004 1.00000 1.00000 0.99995 0.99998 0.99999 0.99997 0.99997 1.00002 1.00002 1.00000 1.00000 1.00002 1.00002 1.00001 0.99996 0.99998 1.00003 1.00002 0.99999 1.00003 1.00004 0.99998 1.00001 1.00000 1.00000 0.99996 1.00001 1.00001 0.99997 0.99999 0.99999 1.00005 1.00001 0.99998 1.00002 1.00002 0.99998 1.00000 0.99999 1.00002 1.00001 0.99998 1.00001 0.99994 1.00001 1.00000 0.99999 1.00001 1.00000 1.00001 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 67338 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99998 0.99998 1.00001 0.99999 1.00000 1.00000 1.00000 1.00001 0.99999 1.00004 0.99999 0.99999 1.00003 0.99998 0.99999 0.99998 1.00001 1.00001 1.00001 1.00001 0.99999 0.99995 1.00001 1.00000 0.99998 1.00000 0.99999 0.99995 1.00002 1.00004 1.00000 0.99998 1.00002 1.00001 0.99999 1.00001 1.00003 1.00000 0.99999 1.00002 1.00002 1.00000 0.99998 0.99998 0.99994 1.00000 0.99998 0.99997 0.99998 1.00000 1.00000 1.00002 1.00001 1.00000 1.00004 1.00000 1.00000 0.99995 0.99998 0.99999 0.99997 0.99997 1.00002 1.00002 1.00000 1.00000 1.00002 1.00002 1.00001 0.99996 0.99998 1.00003 1.00002 0.99999 1.00003 1.00004 0.99998 1.00001 1.00000 1.00000 0.99996 1.00001 1.00001 0.99997 0.99999 0.99999 1.00005 1.00001 0.99998 1.00002 1.00002 0.99998 1.00000 0.99999 1.00002 1.00001 0.99998 1.00001 0.99994 1.00001 1.00000 0.99999 1.00001 1.00000 1.00001 0.99999 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> 2602060425492843205.eigenfacs Openam> file on opening on unit 10: 2602060425492843205.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602060425492843205.atom Openam> file on opening on unit 11: 2602060425492843205.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 3741 Mean number per residue = 15.7 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9848E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9855E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9865E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0012E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 188.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 209.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 240.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 286.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 312.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 362.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 389.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 401.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 459.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 465.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 479.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 507.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 520.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 537.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 549.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 569.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 600.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 612.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 623.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 633.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 642.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 646.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 654.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 659.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 671.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 682.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 711.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 717.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 723.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 731.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 748.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 763.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 773.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 790.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 799.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 811.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 820.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 840.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 850.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 864.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 878.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 892.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 895.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 900.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 915.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 925.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 942.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 946.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 962.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 967.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 984.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 990.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 998.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 1016. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 1020. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 1040. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 1041. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 1062. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 1069. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 1082. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 1088. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 1096. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 1103. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 1120. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 1129. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 1137. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 1148. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 1163. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 1172. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 1180. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 1182. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 1198. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 1201. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 1219. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 1229. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 1234. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 1242. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 1247. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 1255. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 1268. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 1276. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 1278. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 1290. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 1302. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 1312. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 1322. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 1327. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 1333. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 1344. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 1349. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 1355. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 1370. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 1375. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 1378. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 1392. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 1399. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 1402. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 1403. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 1409. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 1410. Bfactors> 106 vectors, 11223 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 : 188.500000 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> Correlation= -0.571 for 238 C-alpha atoms. Bfactors> = 0.000 +/- 0.00 Bfactors> = 97.290 +/- 4.52 Bfactors> Shiftng-fct= 97.289 Bfactors> Scaling-fct= 7727.046 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602060425492843205.eigenfacs Openam> file on opening on unit 10: 2602060425492843205.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4312E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4313E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4315E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4359E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4400E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 1491. Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 1571. Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 1685. Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 1838. Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 1919. Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 2066. Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 2144. Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 2177. Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 2328. Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 2344. Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 2378. Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 2445. Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 2477. Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 2517. Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 2546. Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 2590. Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 2661. Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 2688. Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 2711. Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 2733. Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 2753. Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 2762. Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 2777. Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 2789. Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 2813. Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 2836. Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 2896. Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 2908. Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 2920. Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 2937. Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 2970. Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 3001. Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 3019. Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 3052. Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 3070. Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 3092. Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 3111. Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 3148. Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 3167. Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 3192. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 3218. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 3243. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 3249. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 3259. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 3286. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 3303. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 3333. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 3340. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 3369. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 3378. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 3408. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 3417. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 3432. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 3461. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 3468. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 3502. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 3503. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 3539. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 3550. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 3572. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 3582. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 3595. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 3606. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 3634. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 3649. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 3661. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 3679. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 3703. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 3717. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 3730. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 3733. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 3758. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 3763. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 3791. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 3807. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 3814. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 3827. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 3835. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 3847. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 3867. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 3879. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 3882. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 3900. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 3918. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 3933. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 3948. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 3956. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 3965. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 3981. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 3988. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 3997. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 4019. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 4027. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 4031. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 4051. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 4061. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 4066. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 4067. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 4076. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 4077. Chkmod> 106 vectors, 11223 coordinates in file. Chkmod> That is: 3741 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 10 is: 1.0002 (instead of 1.0000). %Chkmod-Wn> Norm of vector 22 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 28 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 45 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 87 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 99 is: 0.9999 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.7330 0.0034 0.7121 0.0034 0.8891 0.0034 0.7485 0.0034 0.8964 0.0034 0.9943 1490.8444 0.3228 1570.5706 0.2994 1685.3691 0.1009 1837.6515 0.0404 1918.9454 0.2670 2066.2882 0.1450 2143.8656 0.2919 2176.6149 0.2919 2328.1657 0.1797 2343.5616 0.1709 2378.0239 0.1108 2445.4921 0.0858 2477.1099 0.1957 2517.4791 0.1548 2545.6577 0.2019 2590.1968 0.1365 2660.7065 0.1854 2687.6031 0.0948 2710.7556 0.1731 2733.4963 0.2425 2752.6247 0.1655 2761.6055 0.1076 2777.3583 0.2304 2789.4315 0.0745 2813.4225 0.1275 2836.1715 0.1847 2896.0299 0.1330 2908.2186 0.2251 2920.1546 0.2507 2936.8638 0.1537 2970.0001 0.1209 3001.1997 0.2939 3019.2180 0.2267 3052.4260 0.1634 3069.7597 0.2204 3092.3388 0.2256 3110.7768 0.2218 3147.5162 0.3000 3167.1224 0.2520 3191.9688 0.1491 3217.9060 0.1415 3243.2723 0.3842 3249.4468 0.1923 3258.6867 0.2536 3286.0711 0.1843 3302.5356 0.1806 3333.4525 0.1749 3339.8134 0.2405 3369.3388 0.2760 3378.0762 0.3623 3407.6161 0.2877 3416.6008 0.2803 3431.9239 0.1483 3461.1745 0.3008 3467.9811 0.2245 3501.8159 0.1436 3503.4990 0.2691 3538.6605 0.2040 3550.3036 0.0666 3571.8258 0.1850 3581.7155 0.2516 3594.8594 0.2645 3606.3211 0.1705 3634.0061 0.1246 3648.5778 0.1064 3661.4817 0.1894 3679.1507 0.1614 3703.1090 0.2161 3717.4098 0.1410 3730.0757 0.1937 3733.2354 0.2325 3758.4177 0.2248 3763.1206 0.2665 3791.2157 0.2794 3806.7344 0.2729 3814.4701 0.2487 3826.8147 0.1413 3834.5099 0.2329 3846.7902 0.1234 3866.6625 0.2132 3878.8410 0.1958 3881.8796 0.2642 3900.0618 0.2303 3918.1597 0.2443 3933.1776 0.2388 3948.1384 0.2760 3955.5975 0.1988 3964.5300 0.2589 3980.8542 0.3036 3988.2522 0.1877 3997.1117 0.2809 4019.1750 0.1531 4026.5026 0.1195 4030.8928 0.3249 4051.3173 0.2383 4061.4910 0.1540 4065.8434 0.2819 4067.2931 0.2126 4075.9808 0.2799 4077.4270 0.2425 getting mode 7 running: ../../bin/get_modes.sh 2602060425492843205 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2602060425492843205 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2602060425492843205 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2602060425492843205 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2602060425492843205 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2602060425492843205 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2602060425492843205 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2602060425492843205 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2602060425492843205 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2602060425492843205 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 2602060425492843205 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 2602060425492843205 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 2602060425492843205 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 2602060425492843205 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 2602060425492843205 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 2602060425492843205 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 2602060425492843205 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 2602060425492843205 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 2602060425492843205 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 2602060425492843205 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 2602060425492843205 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 2602060425492843205 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 2602060425492843205 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 2602060425492843205 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 2602060425492843205 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=-50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=0 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=50 2602060425492843205.eigenfacs 2602060425492843205.atom calculating perturbed structure for DQ=100 2602060425492843205.eigenfacs 2602060425492843205.atom making animated gifs 5 models are in 2602060425492843205.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602060425492843205.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2602060425492843205.10.pdb 2602060425492843205.11.pdb 2602060425492843205.12.pdb 2602060425492843205.13.pdb 2602060425492843205.14.pdb 2602060425492843205.15.pdb 2602060425492843205.16.pdb 2602060425492843205.17.pdb 2602060425492843205.18.pdb 2602060425492843205.19.pdb 2602060425492843205.20.pdb 2602060425492843205.21.pdb 2602060425492843205.22.pdb 2602060425492843205.23.pdb 2602060425492843205.24.pdb 2602060425492843205.25.pdb 2602060425492843205.26.pdb 2602060425492843205.27.pdb 2602060425492843205.28.pdb 2602060425492843205.29.pdb 2602060425492843205.30.pdb 2602060425492843205.31.pdb 2602060425492843205.7.pdb 2602060425492843205.8.pdb 2602060425492843205.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m15.115s user 0m14.641s sys 0m0.462s rm: cannot remove '2602060425492843205.sdijf': 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 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 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 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 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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.