[gmx-users] g_anaeig

pawan raghav pwnrghv at gmail.com
Thu Dec 9 18:59:08 CET 2010


I am postin ths question second time so please solve this issue
g_anaeig generated numbers of c-alpha or protein structures through -extr
extreme.pdb. The bash shell show numbers of eigenvector structures starting
from first to last frames are as follows

eigenvector           Minimum           Maximum

                value       time      value       time

     1       4.880467    14148.0   7.747218    12501.0

     2       1.637421    13926.0   4.344063    13110.0

     3      -0.074393    12567.0   2.745826    14166.0

     4       0.940240    12618.0   5.181283    14265.0

     5      -2.760566    14760.0  -0.107564    12789.0

     6       0.394184    12627.0   2.693520    14997.0

First column shows vectors, but what are the values in second column? Are
they represents energy values in kJ/mol in second and fourth column?

-- 
Pawan
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