[gmx-users] g_covar calculates the eigenvalues

[Jinzhi Tan]

Hi, everyone:
I just used g_covar to get the eigenvalues and eigenvectors. The followings is parts of the eigenval.xvg file. The second volume values are eigenvalues, aren't they? My problem is if I can add all the eigenvalues to get the total value? And then get the percentage of each eigenvalue in total. Just like the first eigenvalue is 3.52687 , the total value is 15.03, then the percentage is 23.4%. I am not sure whether I am right or not. Could you tell me? Thank you very much!

The eigenval.xvg is the following:
         1 3.52687
         2 2.27773
         3 1.14664
         4 0.655514
         5 0.502613
         6 0.386365
         7 0.336983
         8 0.28379
         9 0.2455
        10 0.216003
        11 0.150509
        12 0.145242
        13 0.12765
        14 0.114315
        15 0.108977
        16 0.0957201
        17 0.0884697
        18 0.0846633
        19 0.0840747
        20 0.0743253
        21 0.0720613
        22 0.069553
        23 0.0686596
        24 0.0590817
        25 0.0586423
        26 0.0553452
        27 0.0532252
        28 0.0502445
        29 0.0486899
        30 0.0474396
 and so on.

Best wishes, 

Jinzhi Tan 
 
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Shanghai Institute of Meteria Medica
Chinese Academy of Sciences
Shanghai 201203, China
E-mail: tanjinzhi at hotmail.com 
        jztan at mail.shcnc.ac.cn   
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