[AMBER] PCA

From: richa anand <richaaanand.gmail.com>
Date: Wed, 27 Jan 2016 14:48:11 +0530

Hello Jason,

Thanks for your reply. I am using AMBER 12, and the output I got after
matrix and diagmatrix command is given below:


  Eigenvector file: COVAR nmodes 5 width 11
  13680 13680
    -5.72359 10.53080 -7.47835 -5.96162 10.29766 -7.37368
-5.97738
    10.36475 -7.35948 -5.94106 10.33123 -7.32167 -4.73740
11.36013
    -8.02395 -5.18068 11.95850 -8.72088 -4.14442 12.20480
-7.02992
   -4.25255 12.01021 -6.39008 -3.46822 12.23661 -7.06655
-4.29338
    13.29288 -6.85008 -4.05973 13.71168 -6.67361 -4.41960
13.41743
    -7.08127 -4.60123 13.76515 -6.53413 -5.35218 14.82710
-6.05663

****
    1 0.74907
    0.00348 -0.00659 0.00972 0.00358 -0.00678 0.00957
0.00343
   -0.00656 0.00979 0.00365 -0.00681 0.00994 0.00318
-0.00606
    0.00949 0.00254 -0.00544 0.00991 0.00400 -0.00643
0.01001
    0.00548 -0.00768 0.01037 0.00441 -0.00550 0.00871
0.00230
   -0.00629 0.01173 0.00389 -0.00561 0.01125 0.00013
-0.00514
    0.01015 0.00117 -0.00884 0.01689 0.00073 -0.00798
0.01694
    0.00081 -0.00763 0.01742 0.00090 -0.00793 0.01674
0.00021
   -0.00786 0.01668 0.00293 -0.00594 0.00814 0.00348
-0.00662
    0.00738 0.00207 -0.00509 0.00783 0.00170 -0.00455
0.00855
    0.00160 -0.00483 0.00652 0.00227 -0.00527 0.00587
0.00114
   -0.00470 0.00631 0.00193 -0.00477 0.00510 0.00116
-0.00564
    0.00738 0.00001 -0.00359 0.00629 0.00073 -0.00420
0.00616

After "****" I am not able to identify eigenvalues. Can you please suggest
me how I can do PCA and it's result's interpretation using AMBER12.


Thanking You,
Richa
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Received on Wed Jan 27 2016 - 01:30:05 PST
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