Xi Zhao,
Find some elementary text on PCA and read it thoroughly.
Tsjerk
On Wed, Jan 20, 2010 at 2:40 PM, xi zhao wrote:
>
> Dear users:
> I want to analyse a crystal structure by PCA, and want to show its 2D
> projection, but I meet errors" segment fault"
> my procedure:
> g_covar_d -f crysta
Dear users:
I want to analyse a crystal structure by PCA, and want to show its 2D
projection, but I meet errors" segment fault"
my procedure:
g_covar_d -f crystal strucutre.pdb -s crystal strucutre.pdb -o eig.xvg -v
eig.trr
g_anaeig_d -f crystal strucutre.pdb -eig eig.xvg -v eig.trr -2d 2d.
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