[gmx-users] anaeig
pawan raghav
pwnrghv at gmail.com
Thu Dec 9 06:25:43 CET 2010
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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