hi,
I am trying to calculate principal component analysis on a
correlation matrix. I got the correlation matrix without problem but
when I do the PCA I get the following message:
PTRAJ: Analyzing accumulated data
Floating exception (core dumped)
I am using amber8 and I am using the test for ptraj that comes with the
distribution. The commands that I am using are:
matrix name matrix.memory correl byres mass out matrix.correl
analyze matrix matrix.memory out pca vecs 5
I get the matrix.correl with the correlated motions.
Can you please tell me what I am doing wrong? thanks, Marcela
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Received on Fri Jan 20 2006 - 06:10:07 PST
